USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 792 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 87 THR OG1 : rot -69:sc= 1.01 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.868 USER MOD Set 2.1: A 84 SER OG : rot -29:sc= 1.21 USER MOD Set 2.2: A 86 TYR OH : rot 91:sc= 1.09 USER MOD Set 3.1: A 46 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.4) USER MOD Set 3.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 41 GLN :FLIP amide:sc= 0.199 F(o=-2,f=-1) USER MOD Set 4.2: A 73 GLN :FLIP amide:sc= -1.23! C(o=-2!,f=-1!) USER MOD Set 5.1: A 8 THR OG1 : rot 43:sc= 1.21 USER MOD Set 5.2: A 11 THR OG1 : rot -120:sc= 0.918 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -2.1! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 132:sc= 1.95 USER MOD Single : A 22 CYS SG : rot 64:sc= -1.07! USER MOD Single : A 25 LYS NZ :NH3+ 142:sc= 2.49 (180deg=0.00505) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.07 (180deg=0.717) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.0483 (180deg=-0.261) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0683) USER MOD Single : A 40 LYS NZ :NH3+ -128:sc= 1.18 (180deg=0.435) USER MOD Single : A 43 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.33) USER MOD Single : A 44 THR OG1 : rot -137:sc= -0.687! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.233! C(o=0.23!,f=-3.5!) USER MOD Single : A 52 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.19) USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= 0.347 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 100:sc= -0.443 USER MOD Single : A 67 THR OG1 : rot -59:sc= 0.682 USER MOD Single : A 71 SER OG : rot -99:sc= 1.31 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0299 (180deg=-0.223) USER MOD Single : A 81 THR OG1 : rot 69:sc= 0.0889 USER MOD Single : A 101 THR OG1 : rot -170:sc= 0.0194 USER MOD Single : A 102 SER OG : rot 180:sc= -0.657 USER MOD Single : A 104 CYS SG : rot 167:sc= 0.542 USER MOD ----------------------------------------------------------------- ATOM 64 N TYR A 6 2.728 5.760 -6.871 1.00 0.00 N ATOM 65 CA TYR A 6 2.990 4.409 -7.315 1.00 0.00 C ATOM 66 C TYR A 6 4.073 4.421 -8.393 1.00 0.00 C ATOM 67 O TYR A 6 4.095 5.302 -9.256 1.00 0.00 O ATOM 68 CB TYR A 6 1.715 3.676 -7.839 1.00 0.00 C ATOM 69 CG TYR A 6 1.182 4.135 -9.184 1.00 0.00 C ATOM 70 CD1 TYR A 6 0.370 5.260 -9.309 1.00 0.00 C ATOM 71 CD2 TYR A 6 1.483 3.417 -10.328 1.00 0.00 C ATOM 72 CE1 TYR A 6 -0.118 5.646 -10.546 1.00 0.00 C ATOM 73 CE2 TYR A 6 1.008 3.794 -11.553 1.00 0.00 C ATOM 74 CZ TYR A 6 0.209 4.904 -11.666 1.00 0.00 C ATOM 75 OH TYR A 6 -0.264 5.273 -12.907 1.00 0.00 O ATOM 0 HA TYR A 6 3.333 3.849 -6.445 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.935 2.610 -7.903 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.924 3.794 -7.099 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.118 5.837 -8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.107 2.539 -10.251 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.748 6.519 -10.635 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.261 3.219 -12.431 1.00 0.00 H new ATOM 0 HH TYR A 6 0.063 4.643 -13.582 1.00 0.00 H new ATOM 85 N LEU A 7 5.001 3.504 -8.281 1.00 0.00 N ATOM 86 CA LEU A 7 6.001 3.273 -9.307 1.00 0.00 C ATOM 87 C LEU A 7 5.454 2.236 -10.294 1.00 0.00 C ATOM 88 O LEU A 7 4.291 1.830 -10.186 1.00 0.00 O ATOM 89 CB LEU A 7 7.334 2.818 -8.692 1.00 0.00 C ATOM 90 CG LEU A 7 7.977 3.790 -7.686 1.00 0.00 C ATOM 91 CD1 LEU A 7 9.265 3.210 -7.131 1.00 0.00 C ATOM 92 CD2 LEU A 7 8.233 5.148 -8.322 1.00 0.00 C ATOM 0 H LEU A 7 5.089 2.890 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 7 6.205 4.203 -9.837 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.174 1.862 -8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.043 2.641 -9.501 1.00 0.00 H new ATOM 0 HG LEU A 7 7.277 3.931 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.704 3.912 -6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.052 2.269 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.965 3.033 -7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.687 5.814 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.906 5.031 -9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.289 5.574 -8.663 1.00 0.00 H new ATOM 104 N THR A 8 6.264 1.769 -11.222 1.00 0.00 N ATOM 105 CA THR A 8 5.731 0.968 -12.309 1.00 0.00 C ATOM 106 C THR A 8 6.445 -0.379 -12.535 1.00 0.00 C ATOM 107 O THR A 8 7.599 -0.560 -12.148 1.00 0.00 O ATOM 108 CB THR A 8 5.687 1.823 -13.586 1.00 0.00 C ATOM 109 OG1 THR A 8 6.955 2.519 -13.756 1.00 0.00 O ATOM 110 CG2 THR A 8 4.567 2.845 -13.461 1.00 0.00 C ATOM 0 H THR A 8 7.272 1.924 -11.249 1.00 0.00 H new ATOM 0 HA THR A 8 4.722 0.674 -12.021 1.00 0.00 H new ATOM 0 HB THR A 8 5.510 1.180 -14.448 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.693 1.908 -13.551 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.529 3.456 -14.363 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.616 2.328 -13.332 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.752 3.484 -12.598 1.00 0.00 H new ATOM 118 N VAL A 9 5.728 -1.315 -13.151 1.00 0.00 N ATOM 119 CA VAL A 9 6.224 -2.662 -13.417 1.00 0.00 C ATOM 120 C VAL A 9 7.327 -2.613 -14.457 1.00 0.00 C ATOM 121 O VAL A 9 7.145 -2.040 -15.537 1.00 0.00 O ATOM 122 CB VAL A 9 5.089 -3.606 -13.933 1.00 0.00 C ATOM 123 CG1 VAL A 9 5.617 -5.013 -14.183 1.00 0.00 C ATOM 124 CG2 VAL A 9 3.923 -3.657 -12.960 1.00 0.00 C ATOM 0 H VAL A 9 4.776 -1.158 -13.483 1.00 0.00 H new ATOM 0 HA VAL A 9 6.606 -3.059 -12.476 1.00 0.00 H new ATOM 0 HB VAL A 9 4.732 -3.192 -14.876 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.806 -5.648 -14.541 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.408 -4.977 -14.932 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.015 -5.422 -13.255 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.152 -4.322 -13.350 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.270 -4.029 -11.996 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.509 -2.656 -12.835 1.00 0.00 H new ATOM 134 N GLY A 10 8.461 -3.193 -14.129 1.00 0.00 N ATOM 135 CA GLY A 10 9.573 -3.224 -15.039 1.00 0.00 C ATOM 136 C GLY A 10 10.652 -2.247 -14.655 1.00 0.00 C ATOM 137 O GLY A 10 11.805 -2.391 -15.065 1.00 0.00 O ATOM 0 H GLY A 10 8.632 -3.650 -13.233 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.990 -4.231 -15.066 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.222 -2.998 -16.046 1.00 0.00 H new ATOM 141 N THR A 11 10.299 -1.277 -13.851 1.00 0.00 N ATOM 142 CA THR A 11 11.203 -0.263 -13.447 1.00 0.00 C ATOM 143 C THR A 11 12.285 -0.840 -12.506 1.00 0.00 C ATOM 144 O THR A 11 11.996 -1.676 -11.633 1.00 0.00 O ATOM 145 CB THR A 11 10.399 0.852 -12.781 1.00 0.00 C ATOM 146 OG1 THR A 11 9.346 1.251 -13.680 1.00 0.00 O ATOM 147 CG2 THR A 11 11.258 2.044 -12.481 1.00 0.00 C ATOM 0 H THR A 11 9.362 -1.179 -13.461 1.00 0.00 H new ATOM 0 HA THR A 11 11.730 0.144 -14.310 1.00 0.00 H new ATOM 0 HB THR A 11 9.996 0.478 -11.840 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.447 2.200 -13.902 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.654 2.818 -12.008 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.064 1.751 -11.809 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.681 2.430 -13.408 1.00 0.00 H new ATOM 155 N ASP A 12 13.513 -0.426 -12.726 1.00 0.00 N ATOM 156 CA ASP A 12 14.660 -0.916 -11.966 1.00 0.00 C ATOM 157 C ASP A 12 14.794 -0.087 -10.732 1.00 0.00 C ATOM 158 O ASP A 12 14.750 1.144 -10.799 1.00 0.00 O ATOM 159 CB ASP A 12 15.958 -0.833 -12.781 1.00 0.00 C ATOM 160 CG ASP A 12 15.866 -1.525 -14.115 1.00 0.00 C ATOM 161 OD1 ASP A 12 16.036 -2.764 -14.187 1.00 0.00 O ATOM 162 OD2 ASP A 12 15.590 -0.843 -15.129 1.00 0.00 O ATOM 0 H ASP A 12 13.754 0.263 -13.439 1.00 0.00 H new ATOM 0 HA ASP A 12 14.493 -1.964 -11.717 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.214 0.215 -12.939 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.770 -1.276 -12.205 1.00 0.00 H new ATOM 167 N VAL A 13 14.947 -0.732 -9.619 1.00 0.00 N ATOM 168 CA VAL A 13 14.953 -0.074 -8.339 1.00 0.00 C ATOM 169 C VAL A 13 16.048 -0.618 -7.439 1.00 0.00 C ATOM 170 O VAL A 13 16.821 -1.488 -7.826 1.00 0.00 O ATOM 171 CB VAL A 13 13.589 -0.243 -7.620 1.00 0.00 C ATOM 172 CG1 VAL A 13 12.491 0.469 -8.376 1.00 0.00 C ATOM 173 CG2 VAL A 13 13.239 -1.716 -7.463 1.00 0.00 C ATOM 0 H VAL A 13 15.073 -1.743 -9.567 1.00 0.00 H new ATOM 0 HA VAL A 13 15.139 0.983 -8.530 1.00 0.00 H new ATOM 0 HB VAL A 13 13.678 0.203 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.544 0.336 -7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.724 1.532 -8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.412 0.053 -9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.279 -1.810 -6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.177 -2.182 -8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.010 -2.212 -6.874 1.00 0.00 H new ATOM 183 N SER A 14 16.113 -0.085 -6.263 1.00 0.00 N ATOM 184 CA SER A 14 17.011 -0.541 -5.262 1.00 0.00 C ATOM 185 C SER A 14 16.283 -0.570 -3.941 1.00 0.00 C ATOM 186 O SER A 14 15.501 0.313 -3.656 1.00 0.00 O ATOM 187 CB SER A 14 18.254 0.337 -5.241 1.00 0.00 C ATOM 188 OG SER A 14 17.921 1.694 -5.527 1.00 0.00 O ATOM 0 H SER A 14 15.528 0.697 -5.968 1.00 0.00 H new ATOM 0 HA SER A 14 17.355 -1.553 -5.475 1.00 0.00 H new ATOM 0 HB2 SER A 14 18.733 0.274 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 14 18.974 -0.027 -5.973 1.00 0.00 H new ATOM 0 HG SER A 14 18.734 2.241 -5.507 1.00 0.00 H new ATOM 194 N ALA A 15 16.492 -1.592 -3.200 1.00 0.00 N ATOM 195 CA ALA A 15 15.838 -1.821 -1.949 1.00 0.00 C ATOM 196 C ALA A 15 16.875 -1.802 -0.862 1.00 0.00 C ATOM 197 O ALA A 15 17.987 -2.312 -1.056 1.00 0.00 O ATOM 198 CB ALA A 15 15.229 -3.186 -2.012 1.00 0.00 C ATOM 0 H ALA A 15 17.150 -2.329 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 15 15.080 -1.063 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.718 -3.400 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.512 -3.227 -2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.012 -3.926 -2.176 1.00 0.00 H new ATOM 204 N LYS A 16 16.564 -1.206 0.250 1.00 0.00 N ATOM 205 CA LYS A 16 17.492 -1.205 1.344 1.00 0.00 C ATOM 206 C LYS A 16 17.330 -2.481 2.180 1.00 0.00 C ATOM 207 O LYS A 16 16.209 -2.914 2.459 1.00 0.00 O ATOM 208 CB LYS A 16 17.287 0.021 2.237 1.00 0.00 C ATOM 209 CG LYS A 16 18.342 0.157 3.334 1.00 0.00 C ATOM 210 CD LYS A 16 18.021 1.270 4.319 1.00 0.00 C ATOM 211 CE LYS A 16 16.742 0.976 5.088 1.00 0.00 C ATOM 212 NZ LYS A 16 16.478 1.977 6.134 1.00 0.00 N ATOM 0 H LYS A 16 15.685 -0.719 0.424 1.00 0.00 H new ATOM 0 HA LYS A 16 18.499 -1.169 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.300 0.918 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.300 -0.035 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.425 -0.787 3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.313 0.350 2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.849 1.390 5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.917 2.214 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.902 0.948 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.813 -0.012 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.597 1.736 6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.267 1.987 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.384 2.917 5.699 1.00 0.00 H new ATOM 226 N TYR A 17 18.440 -3.087 2.518 1.00 0.00 N ATOM 227 CA TYR A 17 18.500 -4.210 3.425 1.00 0.00 C ATOM 228 C TYR A 17 19.372 -3.855 4.589 1.00 0.00 C ATOM 229 O TYR A 17 20.595 -3.801 4.440 1.00 0.00 O ATOM 230 CB TYR A 17 19.130 -5.456 2.808 1.00 0.00 C ATOM 231 CG TYR A 17 18.279 -6.307 1.928 1.00 0.00 C ATOM 232 CD1 TYR A 17 17.264 -7.088 2.462 1.00 0.00 C ATOM 233 CD2 TYR A 17 18.534 -6.395 0.584 1.00 0.00 C ATOM 234 CE1 TYR A 17 16.520 -7.924 1.661 1.00 0.00 C ATOM 235 CE2 TYR A 17 17.813 -7.237 -0.217 1.00 0.00 C ATOM 236 CZ TYR A 17 16.807 -7.997 0.320 1.00 0.00 C ATOM 237 OH TYR A 17 16.111 -8.862 -0.488 1.00 0.00 O ATOM 0 H TYR A 17 19.353 -2.807 2.161 1.00 0.00 H new ATOM 0 HA TYR A 17 17.467 -4.425 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 17 19.998 -5.140 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 17 19.500 -6.081 3.621 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.055 -7.039 3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 17 19.317 -5.790 0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 17 15.720 -8.515 2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 17 18.036 -7.303 -1.272 1.00 0.00 H new ATOM 0 HH TYR A 17 15.811 -8.389 -1.292 1.00 0.00 H new ATOM 247 N ARG A 18 18.765 -3.532 5.710 1.00 0.00 N ATOM 248 CA ARG A 18 19.482 -3.360 6.990 1.00 0.00 C ATOM 249 C ARG A 18 20.575 -2.269 6.918 1.00 0.00 C ATOM 250 O ARG A 18 21.532 -2.293 7.677 1.00 0.00 O ATOM 251 CB ARG A 18 20.100 -4.714 7.387 1.00 0.00 C ATOM 252 CG ARG A 18 19.084 -5.842 7.418 1.00 0.00 C ATOM 253 CD ARG A 18 19.735 -7.200 7.582 1.00 0.00 C ATOM 254 NE ARG A 18 18.748 -8.272 7.426 1.00 0.00 N ATOM 255 CZ ARG A 18 19.028 -9.571 7.238 1.00 0.00 C ATOM 256 NH1 ARG A 18 20.294 -10.002 7.264 1.00 0.00 N ATOM 257 NH2 ARG A 18 18.031 -10.435 7.031 1.00 0.00 N ATOM 0 H ARG A 18 17.759 -3.377 5.778 1.00 0.00 H new ATOM 0 HA ARG A 18 18.767 -3.027 7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.893 -4.966 6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.563 -4.622 8.369 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.385 -5.676 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.503 -5.829 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.528 -7.320 6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.201 -7.269 8.565 1.00 0.00 H new ATOM 0 HE ARG A 18 17.763 -8.008 7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.054 -9.342 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.499 -10.991 7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.066 -10.106 7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.235 -11.424 6.887 1.00 0.00 H new ATOM 271 N GLY A 19 20.383 -1.292 6.049 1.00 0.00 N ATOM 272 CA GLY A 19 21.359 -0.219 5.891 1.00 0.00 C ATOM 273 C GLY A 19 22.351 -0.451 4.751 1.00 0.00 C ATOM 274 O GLY A 19 23.342 0.275 4.622 1.00 0.00 O ATOM 0 H GLY A 19 19.566 -1.216 5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 19 20.830 0.718 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.912 -0.103 6.823 1.00 0.00 H new ATOM 278 N ALA A 20 22.100 -1.448 3.947 1.00 0.00 N ATOM 279 CA ALA A 20 22.883 -1.696 2.742 1.00 0.00 C ATOM 280 C ALA A 20 21.915 -1.696 1.582 1.00 0.00 C ATOM 281 O ALA A 20 20.746 -2.004 1.783 1.00 0.00 O ATOM 282 CB ALA A 20 23.614 -3.028 2.836 1.00 0.00 C ATOM 0 H ALA A 20 21.347 -2.119 4.099 1.00 0.00 H new ATOM 0 HA ALA A 20 23.644 -0.927 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 20 24.191 -3.191 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 20 24.286 -3.015 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 20 22.889 -3.833 2.955 1.00 0.00 H new ATOM 288 N PHE A 21 22.341 -1.336 0.401 1.00 0.00 N ATOM 289 CA PHE A 21 21.406 -1.260 -0.710 1.00 0.00 C ATOM 290 C PHE A 21 21.601 -2.414 -1.695 1.00 0.00 C ATOM 291 O PHE A 21 22.730 -2.797 -2.021 1.00 0.00 O ATOM 292 CB PHE A 21 21.483 0.109 -1.414 1.00 0.00 C ATOM 293 CG PHE A 21 21.244 1.292 -0.488 1.00 0.00 C ATOM 294 CD1 PHE A 21 19.958 1.649 -0.099 1.00 0.00 C ATOM 295 CD2 PHE A 21 22.313 2.044 -0.012 1.00 0.00 C ATOM 296 CE1 PHE A 21 19.746 2.735 0.749 1.00 0.00 C ATOM 297 CE2 PHE A 21 22.104 3.123 0.830 1.00 0.00 C ATOM 298 CZ PHE A 21 20.820 3.466 1.210 1.00 0.00 C ATOM 0 H PHE A 21 23.306 -1.094 0.177 1.00 0.00 H new ATOM 0 HA PHE A 21 20.402 -1.360 -0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 21 22.465 0.214 -1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 21 20.748 0.135 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.114 1.079 -0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 21 23.320 1.783 -0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.742 3.003 1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 21 22.945 3.697 1.190 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.658 4.307 1.868 1.00 0.00 H new ATOM 308 N CYS A 22 20.506 -2.973 -2.134 1.00 0.00 N ATOM 309 CA CYS A 22 20.483 -4.080 -3.078 1.00 0.00 C ATOM 310 C CYS A 22 19.645 -3.673 -4.273 1.00 0.00 C ATOM 311 O CYS A 22 18.661 -2.955 -4.107 1.00 0.00 O ATOM 312 CB CYS A 22 19.872 -5.298 -2.387 1.00 0.00 C ATOM 313 SG CYS A 22 19.519 -6.726 -3.440 1.00 0.00 S ATOM 0 H CYS A 22 19.576 -2.670 -1.843 1.00 0.00 H new ATOM 0 HA CYS A 22 21.490 -4.329 -3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 22 20.549 -5.617 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.943 -4.989 -1.908 1.00 0.00 H new ATOM 0 HG CYS A 22 20.632 -7.200 -3.916 1.00 0.00 H new ATOM 319 N GLU A 23 20.020 -4.083 -5.466 1.00 0.00 N ATOM 320 CA GLU A 23 19.246 -3.712 -6.622 1.00 0.00 C ATOM 321 C GLU A 23 18.116 -4.695 -6.820 1.00 0.00 C ATOM 322 O GLU A 23 18.223 -5.881 -6.465 1.00 0.00 O ATOM 323 CB GLU A 23 20.087 -3.627 -7.900 1.00 0.00 C ATOM 324 CG GLU A 23 20.510 -4.968 -8.482 1.00 0.00 C ATOM 325 CD GLU A 23 21.255 -4.799 -9.764 1.00 0.00 C ATOM 326 OE1 GLU A 23 22.453 -4.496 -9.732 1.00 0.00 O ATOM 327 OE2 GLU A 23 20.631 -4.905 -10.842 1.00 0.00 O ATOM 0 H GLU A 23 20.839 -4.661 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 23 18.850 -2.714 -6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 23 19.519 -3.083 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 23 20.982 -3.041 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.136 -5.496 -7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 23 19.628 -5.586 -8.651 1.00 0.00 H new ATOM 334 N ALA A 24 17.052 -4.216 -7.369 1.00 0.00 N ATOM 335 CA ALA A 24 15.924 -5.027 -7.648 1.00 0.00 C ATOM 336 C ALA A 24 15.209 -4.486 -8.854 1.00 0.00 C ATOM 337 O ALA A 24 15.565 -3.427 -9.375 1.00 0.00 O ATOM 338 CB ALA A 24 14.997 -5.095 -6.445 1.00 0.00 C ATOM 0 H ALA A 24 16.943 -3.238 -7.639 1.00 0.00 H new ATOM 0 HA ALA A 24 16.256 -6.043 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.138 -5.723 -6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.533 -5.519 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 24 14.654 -4.092 -6.193 1.00 0.00 H new ATOM 344 N LYS A 25 14.246 -5.189 -9.310 1.00 0.00 N ATOM 345 CA LYS A 25 13.478 -4.754 -10.430 1.00 0.00 C ATOM 346 C LYS A 25 12.032 -5.039 -10.136 1.00 0.00 C ATOM 347 O LYS A 25 11.703 -6.122 -9.662 1.00 0.00 O ATOM 348 CB LYS A 25 13.945 -5.488 -11.681 1.00 0.00 C ATOM 349 CG LYS A 25 13.380 -4.944 -12.992 1.00 0.00 C ATOM 350 CD LYS A 25 13.903 -5.754 -14.161 1.00 0.00 C ATOM 351 CE LYS A 25 13.524 -5.171 -15.512 1.00 0.00 C ATOM 352 NZ LYS A 25 14.054 -3.802 -15.705 1.00 0.00 N ATOM 0 H LYS A 25 13.959 -6.088 -8.922 1.00 0.00 H new ATOM 0 HA LYS A 25 13.606 -3.686 -10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.033 -5.445 -11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.671 -6.539 -11.592 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.291 -4.983 -12.971 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.660 -3.897 -13.111 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.989 -5.819 -14.093 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.518 -6.771 -14.091 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.902 -5.819 -16.303 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.438 -5.154 -15.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.360 -3.684 -16.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.311 -3.108 -15.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.865 -3.651 -15.071 1.00 0.00 H new ATOM 366 N ILE A 26 11.186 -4.070 -10.358 1.00 0.00 N ATOM 367 CA ILE A 26 9.780 -4.209 -10.068 1.00 0.00 C ATOM 368 C ILE A 26 9.139 -5.257 -10.956 1.00 0.00 C ATOM 369 O ILE A 26 9.105 -5.127 -12.182 1.00 0.00 O ATOM 370 CB ILE A 26 9.027 -2.866 -10.178 1.00 0.00 C ATOM 371 CG1 ILE A 26 9.667 -1.825 -9.243 1.00 0.00 C ATOM 372 CG2 ILE A 26 7.569 -3.069 -9.816 1.00 0.00 C ATOM 373 CD1 ILE A 26 9.032 -0.455 -9.291 1.00 0.00 C ATOM 0 H ILE A 26 11.448 -3.163 -10.744 1.00 0.00 H new ATOM 0 HA ILE A 26 9.703 -4.541 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 26 9.092 -2.500 -11.203 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.617 -2.197 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.723 -1.730 -9.497 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.039 -2.120 -9.894 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.122 -3.792 -10.499 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.496 -3.442 -8.794 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.549 0.210 -8.600 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.105 -0.055 -10.302 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.983 -0.530 -9.006 1.00 0.00 H new ATOM 385 N LYS A 27 8.668 -6.294 -10.323 1.00 0.00 N ATOM 386 CA LYS A 27 8.031 -7.393 -10.977 1.00 0.00 C ATOM 387 C LYS A 27 6.521 -7.189 -10.969 1.00 0.00 C ATOM 388 O LYS A 27 5.854 -7.418 -11.977 1.00 0.00 O ATOM 389 CB LYS A 27 8.427 -8.690 -10.258 1.00 0.00 C ATOM 390 CG LYS A 27 7.776 -9.947 -10.782 1.00 0.00 C ATOM 391 CD LYS A 27 8.312 -11.166 -10.057 1.00 0.00 C ATOM 392 CE LYS A 27 7.660 -12.434 -10.556 1.00 0.00 C ATOM 393 NZ LYS A 27 8.266 -13.637 -9.960 1.00 0.00 N ATOM 0 H LYS A 27 8.720 -6.397 -9.310 1.00 0.00 H new ATOM 0 HA LYS A 27 8.352 -7.458 -12.017 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.509 -8.807 -10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.182 -8.588 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.696 -9.885 -10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.963 -10.042 -11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.391 -11.230 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.136 -11.061 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.596 -12.411 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.747 -12.484 -11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.150 -14.442 -10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.279 -13.470 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.798 -13.850 -9.056 1.00 0.00 H new ATOM 407 N THR A 28 6.011 -6.729 -9.850 1.00 0.00 N ATOM 408 CA THR A 28 4.596 -6.472 -9.671 1.00 0.00 C ATOM 409 C THR A 28 4.410 -5.164 -8.927 1.00 0.00 C ATOM 410 O THR A 28 5.182 -4.837 -8.024 1.00 0.00 O ATOM 411 CB THR A 28 3.938 -7.598 -8.843 1.00 0.00 C ATOM 412 OG1 THR A 28 4.106 -8.875 -9.485 1.00 0.00 O ATOM 413 CG2 THR A 28 2.449 -7.342 -8.553 1.00 0.00 C ATOM 0 H THR A 28 6.573 -6.519 -9.025 1.00 0.00 H new ATOM 0 HA THR A 28 4.130 -6.425 -10.655 1.00 0.00 H new ATOM 0 HB THR A 28 4.453 -7.608 -7.882 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.683 -9.572 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.045 -8.168 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.342 -6.414 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.904 -7.262 -9.493 1.00 0.00 H new ATOM 421 N VAL A 29 3.409 -4.440 -9.310 1.00 0.00 N ATOM 422 CA VAL A 29 3.038 -3.222 -8.656 1.00 0.00 C ATOM 423 C VAL A 29 1.678 -3.378 -8.105 1.00 0.00 C ATOM 424 O VAL A 29 0.690 -3.442 -8.836 1.00 0.00 O ATOM 425 CB VAL A 29 3.068 -1.979 -9.572 1.00 0.00 C ATOM 426 CG1 VAL A 29 2.549 -0.748 -8.831 1.00 0.00 C ATOM 427 CG2 VAL A 29 4.457 -1.726 -10.015 1.00 0.00 C ATOM 0 H VAL A 29 2.813 -4.681 -10.102 1.00 0.00 H new ATOM 0 HA VAL A 29 3.779 -3.047 -7.876 1.00 0.00 H new ATOM 0 HB VAL A 29 2.427 -2.169 -10.433 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.579 0.116 -9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.522 -0.923 -8.509 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.175 -0.557 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.479 -0.849 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.090 -1.551 -9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.827 -2.591 -10.565 1.00 0.00 H new ATOM 437 N LYS A 30 1.619 -3.490 -6.848 1.00 0.00 N ATOM 438 CA LYS A 30 0.372 -3.561 -6.183 1.00 0.00 C ATOM 439 C LYS A 30 0.006 -2.155 -5.829 1.00 0.00 C ATOM 440 O LYS A 30 0.444 -1.638 -4.808 1.00 0.00 O ATOM 441 CB LYS A 30 0.478 -4.401 -4.909 1.00 0.00 C ATOM 442 CG LYS A 30 0.931 -5.829 -5.129 1.00 0.00 C ATOM 443 CD LYS A 30 1.162 -6.532 -3.803 1.00 0.00 C ATOM 444 CE LYS A 30 1.551 -7.984 -4.000 1.00 0.00 C ATOM 445 NZ LYS A 30 0.478 -8.758 -4.659 1.00 0.00 N ATOM 0 H LYS A 30 2.433 -3.536 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.378 -4.030 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.174 -3.914 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.494 -4.414 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.180 -6.369 -5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.850 -5.838 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.947 -6.017 -3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.257 -6.476 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.459 -8.038 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.781 -8.433 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.666 -9.775 -4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.436 -8.526 -4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.448 -8.518 -5.671 1.00 0.00 H new ATOM 459 N ARG A 31 -0.690 -1.498 -6.701 1.00 0.00 N ATOM 460 CA ARG A 31 -1.108 -0.169 -6.411 1.00 0.00 C ATOM 461 C ARG A 31 -2.486 -0.213 -5.847 1.00 0.00 C ATOM 462 O ARG A 31 -3.466 -0.499 -6.544 1.00 0.00 O ATOM 463 CB ARG A 31 -0.974 0.791 -7.603 1.00 0.00 C ATOM 464 CG ARG A 31 -1.675 0.372 -8.880 1.00 0.00 C ATOM 465 CD ARG A 31 -1.560 1.478 -9.900 1.00 0.00 C ATOM 466 NE ARG A 31 -2.212 1.170 -11.168 1.00 0.00 N ATOM 467 CZ ARG A 31 -2.893 2.058 -11.899 1.00 0.00 C ATOM 468 NH1 ARG A 31 -3.190 3.259 -11.395 1.00 0.00 N ATOM 469 NH2 ARG A 31 -3.304 1.732 -13.113 1.00 0.00 N ATOM 0 H ARG A 31 -0.978 -1.858 -7.611 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.433 0.251 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.360 1.765 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.086 0.922 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.230 -0.544 -9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.724 0.156 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.996 2.388 -9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.506 1.684 -10.083 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.144 0.215 -11.520 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.897 3.502 -10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.710 3.933 -11.957 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.101 0.806 -13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.824 2.407 -13.674 1.00 0.00 H new ATOM 483 N LEU A 32 -2.556 0.000 -4.590 1.00 0.00 N ATOM 484 CA LEU A 32 -3.779 -0.105 -3.889 1.00 0.00 C ATOM 485 C LEU A 32 -3.842 0.996 -2.922 1.00 0.00 C ATOM 486 O LEU A 32 -2.844 1.389 -2.388 1.00 0.00 O ATOM 487 CB LEU A 32 -3.958 -1.513 -3.220 1.00 0.00 C ATOM 488 CG LEU A 32 -3.016 -2.012 -2.074 1.00 0.00 C ATOM 489 CD1 LEU A 32 -1.542 -1.919 -2.382 1.00 0.00 C ATOM 490 CD2 LEU A 32 -3.351 -1.430 -0.714 1.00 0.00 C ATOM 0 H LEU A 32 -1.757 0.255 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.614 -0.020 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.975 -1.548 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.898 -2.251 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.231 -3.079 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.969 -2.287 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.315 -2.523 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.276 -0.880 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.657 -1.821 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.268 -0.344 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.369 -1.707 -0.441 1.00 0.00 H new ATOM 502 N VAL A 33 -4.962 1.513 -2.717 1.00 0.00 N ATOM 503 CA VAL A 33 -5.062 2.617 -1.829 1.00 0.00 C ATOM 504 C VAL A 33 -5.951 2.268 -0.658 1.00 0.00 C ATOM 505 O VAL A 33 -7.069 1.817 -0.847 1.00 0.00 O ATOM 506 CB VAL A 33 -5.504 3.911 -2.576 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.878 3.794 -3.221 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.410 5.117 -1.685 1.00 0.00 C ATOM 0 H VAL A 33 -5.838 1.207 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.074 2.836 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.800 4.043 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.125 4.729 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.871 2.982 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.624 3.587 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.725 6.003 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.057 4.980 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.380 5.244 -1.353 1.00 0.00 H new ATOM 518 N LYS A 34 -5.435 2.412 0.552 1.00 0.00 N ATOM 519 CA LYS A 34 -6.213 2.070 1.725 1.00 0.00 C ATOM 520 C LYS A 34 -7.115 3.218 2.078 1.00 0.00 C ATOM 521 O LYS A 34 -6.690 4.224 2.649 1.00 0.00 O ATOM 522 CB LYS A 34 -5.331 1.666 2.911 1.00 0.00 C ATOM 523 CG LYS A 34 -4.478 0.432 2.650 1.00 0.00 C ATOM 524 CD LYS A 34 -3.560 0.122 3.824 1.00 0.00 C ATOM 525 CE LYS A 34 -2.745 -1.135 3.564 1.00 0.00 C ATOM 526 NZ LYS A 34 -1.778 -1.427 4.648 1.00 0.00 N ATOM 0 H LYS A 34 -4.495 2.758 0.744 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.820 1.196 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.678 2.500 3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.966 1.481 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.125 -0.424 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.880 0.586 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.890 0.964 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.153 -0.006 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.420 -1.983 3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.206 -1.025 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.250 -2.293 4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.114 -0.632 4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.290 -1.560 5.543 1.00 0.00 H new ATOM 540 N VAL A 35 -8.324 3.069 1.699 1.00 0.00 N ATOM 541 CA VAL A 35 -9.345 4.034 1.857 1.00 0.00 C ATOM 542 C VAL A 35 -10.023 3.864 3.210 1.00 0.00 C ATOM 543 O VAL A 35 -10.395 2.755 3.612 1.00 0.00 O ATOM 544 CB VAL A 35 -10.387 3.868 0.729 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.414 4.969 0.768 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.704 3.830 -0.625 1.00 0.00 C ATOM 0 H VAL A 35 -8.650 2.218 1.241 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.906 5.030 1.806 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.903 2.921 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.133 4.824 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.934 4.948 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.919 5.932 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.454 3.713 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.157 4.760 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.010 2.990 -0.659 1.00 0.00 H new ATOM 556 N LYS A 36 -10.144 4.950 3.902 1.00 0.00 N ATOM 557 CA LYS A 36 -10.793 4.996 5.166 1.00 0.00 C ATOM 558 C LYS A 36 -12.183 5.483 4.914 1.00 0.00 C ATOM 559 O LYS A 36 -12.377 6.639 4.533 1.00 0.00 O ATOM 560 CB LYS A 36 -10.069 5.973 6.081 1.00 0.00 C ATOM 561 CG LYS A 36 -10.531 5.984 7.526 1.00 0.00 C ATOM 562 CD LYS A 36 -9.722 6.991 8.322 1.00 0.00 C ATOM 563 CE LYS A 36 -10.147 7.061 9.783 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.959 5.775 10.499 1.00 0.00 N ATOM 0 H LYS A 36 -9.783 5.853 3.593 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.795 4.016 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.004 5.741 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.184 6.978 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.590 6.236 7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.419 4.990 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.666 6.728 8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.829 7.977 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.573 7.839 10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.196 7.352 9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.151 5.910 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.614 5.065 10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.980 5.447 10.373 1.00 0.00 H new ATOM 578 N VAL A 37 -13.122 4.626 5.059 1.00 0.00 N ATOM 579 CA VAL A 37 -14.487 4.977 4.832 1.00 0.00 C ATOM 580 C VAL A 37 -15.254 4.944 6.110 1.00 0.00 C ATOM 581 O VAL A 37 -14.940 4.184 7.027 1.00 0.00 O ATOM 582 CB VAL A 37 -15.195 4.063 3.805 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.594 4.216 2.431 1.00 0.00 C ATOM 584 CG2 VAL A 37 -15.166 2.613 4.251 1.00 0.00 C ATOM 0 H VAL A 37 -12.974 3.656 5.339 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.468 5.985 4.419 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.238 4.376 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.113 3.561 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.696 5.250 2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.538 3.948 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -15.671 1.994 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.132 2.285 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.674 2.517 5.210 1.00 0.00 H new ATOM 594 N LEU A 38 -16.220 5.764 6.170 1.00 0.00 N ATOM 595 CA LEU A 38 -17.108 5.833 7.277 1.00 0.00 C ATOM 596 C LEU A 38 -18.448 5.356 6.821 1.00 0.00 C ATOM 597 O LEU A 38 -19.036 5.922 5.900 1.00 0.00 O ATOM 598 CB LEU A 38 -17.172 7.257 7.840 1.00 0.00 C ATOM 599 CG LEU A 38 -18.299 7.556 8.856 1.00 0.00 C ATOM 600 CD1 LEU A 38 -18.273 6.591 10.040 1.00 0.00 C ATOM 601 CD2 LEU A 38 -18.204 8.993 9.345 1.00 0.00 C ATOM 0 H LEU A 38 -16.432 6.434 5.431 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.753 5.198 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.217 7.476 8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.276 7.948 7.004 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.248 7.415 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.081 6.838 10.728 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.402 5.570 9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.317 6.676 10.557 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.004 9.188 10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.240 9.150 9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.300 9.673 8.498 1.00 0.00 H new ATOM 613 N LEU A 39 -18.905 4.293 7.419 1.00 0.00 N ATOM 614 CA LEU A 39 -20.160 3.704 7.058 1.00 0.00 C ATOM 615 C LEU A 39 -21.274 4.621 7.505 1.00 0.00 C ATOM 616 O LEU A 39 -21.342 4.988 8.675 1.00 0.00 O ATOM 617 CB LEU A 39 -20.323 2.316 7.691 1.00 0.00 C ATOM 618 CG LEU A 39 -19.179 1.314 7.455 1.00 0.00 C ATOM 619 CD1 LEU A 39 -19.511 -0.042 8.036 1.00 0.00 C ATOM 620 CD2 LEU A 39 -18.839 1.203 5.987 1.00 0.00 C ATOM 0 H LEU A 39 -18.416 3.810 8.172 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.196 3.576 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.448 2.444 8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.246 1.875 7.313 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.299 1.695 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.684 -0.728 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.674 0.052 9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -20.414 -0.429 7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -18.027 0.488 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -19.716 0.864 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.528 2.178 5.611 1.00 0.00 H new ATOM 632 N LYS A 40 -22.141 4.981 6.596 1.00 0.00 N ATOM 633 CA LYS A 40 -23.181 5.950 6.923 1.00 0.00 C ATOM 634 C LYS A 40 -24.249 5.332 7.823 1.00 0.00 C ATOM 635 O LYS A 40 -24.761 5.975 8.734 1.00 0.00 O ATOM 636 CB LYS A 40 -23.818 6.561 5.652 1.00 0.00 C ATOM 637 CG LYS A 40 -24.699 5.620 4.845 1.00 0.00 C ATOM 638 CD LYS A 40 -25.281 6.314 3.630 1.00 0.00 C ATOM 639 CE LYS A 40 -26.365 5.469 2.996 1.00 0.00 C ATOM 640 NZ LYS A 40 -26.915 6.088 1.783 1.00 0.00 N ATOM 0 H LYS A 40 -22.158 4.632 5.638 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.702 6.761 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.413 7.426 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -23.020 6.927 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -24.116 4.756 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.507 5.246 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -25.691 7.282 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -24.492 6.507 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.960 4.488 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -27.167 5.311 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -27.952 6.129 1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -26.536 7.051 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -26.647 5.522 0.952 1.00 0.00 H new ATOM 654 N GLN A 41 -24.539 4.072 7.594 1.00 0.00 N ATOM 655 CA GLN A 41 -25.579 3.403 8.301 1.00 0.00 C ATOM 656 C GLN A 41 -25.120 2.875 9.663 1.00 0.00 C ATOM 657 O GLN A 41 -25.872 2.927 10.629 1.00 0.00 O ATOM 658 CB GLN A 41 -26.164 2.298 7.417 1.00 0.00 C ATOM 659 CG GLN A 41 -27.224 1.463 8.086 1.00 0.00 C ATOM 660 CD GLN A 41 -27.844 0.442 7.156 1.00 0.00 C ATOM 661 OE1 GLN A 41 -27.246 -0.715 7.072 1.00 0.00 O flip ATOM 662 NE2 GLN A 41 -28.854 0.708 6.499 1.00 0.00 N flip ATOM 0 H GLN A 41 -24.054 3.491 6.910 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.364 4.126 8.524 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -26.588 2.752 6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -25.355 1.644 7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -26.788 0.949 8.942 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -28.006 2.118 8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -29.295 1.623 6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -29.248 0.013 5.865 1.00 0.00 H new ATOM 671 N ASP A 42 -23.888 2.412 9.758 1.00 0.00 N ATOM 672 CA ASP A 42 -23.433 1.799 11.016 1.00 0.00 C ATOM 673 C ASP A 42 -22.443 2.687 11.798 1.00 0.00 C ATOM 674 O ASP A 42 -22.093 2.366 12.927 1.00 0.00 O ATOM 675 CB ASP A 42 -22.853 0.388 10.760 1.00 0.00 C ATOM 676 CG ASP A 42 -22.604 -0.422 12.035 1.00 0.00 C ATOM 677 OD1 ASP A 42 -23.584 -0.928 12.631 1.00 0.00 O ATOM 678 OD2 ASP A 42 -21.433 -0.597 12.444 1.00 0.00 O ATOM 0 H ASP A 42 -23.194 2.441 9.011 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.311 1.700 11.654 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.539 -0.165 10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.915 0.485 10.214 1.00 0.00 H new ATOM 683 N ASN A 43 -21.994 3.812 11.174 1.00 0.00 N ATOM 684 CA ASN A 43 -21.057 4.829 11.766 1.00 0.00 C ATOM 685 C ASN A 43 -19.717 4.253 12.164 1.00 0.00 C ATOM 686 O ASN A 43 -18.951 4.854 12.922 1.00 0.00 O ATOM 687 CB ASN A 43 -21.653 5.746 12.888 1.00 0.00 C ATOM 688 CG ASN A 43 -22.107 5.040 14.150 1.00 0.00 C ATOM 689 OD1 ASN A 43 -21.321 4.783 15.061 1.00 0.00 O ATOM 690 ND2 ASN A 43 -23.380 4.784 14.243 1.00 0.00 N ATOM 0 H ASN A 43 -22.276 4.049 10.223 1.00 0.00 H new ATOM 0 HA ASN A 43 -20.889 5.505 10.927 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.902 6.488 13.160 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.502 6.289 12.473 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.754 4.357 15.091 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -24.004 5.010 13.468 1.00 0.00 H new ATOM 697 N THR A 44 -19.399 3.152 11.589 1.00 0.00 N ATOM 698 CA THR A 44 -18.159 2.519 11.789 1.00 0.00 C ATOM 699 C THR A 44 -17.208 2.969 10.723 1.00 0.00 C ATOM 700 O THR A 44 -17.621 3.292 9.607 1.00 0.00 O ATOM 701 CB THR A 44 -18.372 1.035 11.706 1.00 0.00 C ATOM 702 OG1 THR A 44 -19.635 0.814 11.050 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.411 0.448 13.077 1.00 0.00 C ATOM 0 H THR A 44 -20.017 2.655 10.947 1.00 0.00 H new ATOM 0 HA THR A 44 -17.743 2.774 12.764 1.00 0.00 H new ATOM 0 HB THR A 44 -17.560 0.564 11.152 1.00 0.00 H new ATOM 0 HG1 THR A 44 -20.126 0.105 11.515 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.566 -0.629 13.008 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.467 0.647 13.585 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.228 0.896 13.642 1.00 0.00 H new ATOM 711 N THR A 45 -15.975 3.051 11.045 1.00 0.00 N ATOM 712 CA THR A 45 -15.023 3.454 10.089 1.00 0.00 C ATOM 713 C THR A 45 -14.205 2.227 9.724 1.00 0.00 C ATOM 714 O THR A 45 -13.943 1.365 10.572 1.00 0.00 O ATOM 715 CB THR A 45 -14.145 4.559 10.659 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.978 5.439 11.443 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.518 5.379 9.549 1.00 0.00 C ATOM 0 H THR A 45 -15.600 2.843 11.970 1.00 0.00 H new ATOM 0 HA THR A 45 -15.504 3.857 9.198 1.00 0.00 H new ATOM 0 HB THR A 45 -13.356 4.106 11.260 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.430 6.158 11.821 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.895 6.162 9.982 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.904 4.733 8.922 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.303 5.833 8.944 1.00 0.00 H new ATOM 725 N GLN A 46 -13.851 2.125 8.500 1.00 0.00 N ATOM 726 CA GLN A 46 -13.167 0.975 7.988 1.00 0.00 C ATOM 727 C GLN A 46 -12.012 1.488 7.138 1.00 0.00 C ATOM 728 O GLN A 46 -12.145 2.527 6.505 1.00 0.00 O ATOM 729 CB GLN A 46 -14.149 0.175 7.108 1.00 0.00 C ATOM 730 CG GLN A 46 -13.848 -1.315 6.970 1.00 0.00 C ATOM 731 CD GLN A 46 -14.353 -2.176 8.137 1.00 0.00 C ATOM 732 OE1 GLN A 46 -14.664 -3.362 7.952 1.00 0.00 O ATOM 733 NE2 GLN A 46 -14.479 -1.609 9.314 1.00 0.00 N ATOM 0 H GLN A 46 -14.027 2.847 7.802 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.798 0.332 8.787 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -15.152 0.288 7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.161 0.619 6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.296 -1.679 6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.770 -1.448 6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.216 -0.632 9.440 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.840 -2.146 10.103 1.00 0.00 H new ATOM 742 N LEU A 47 -10.898 0.810 7.154 1.00 0.00 N ATOM 743 CA LEU A 47 -9.753 1.207 6.343 1.00 0.00 C ATOM 744 C LEU A 47 -9.334 0.002 5.532 1.00 0.00 C ATOM 745 O LEU A 47 -8.711 -0.920 6.058 1.00 0.00 O ATOM 746 CB LEU A 47 -8.588 1.680 7.241 1.00 0.00 C ATOM 747 CG LEU A 47 -7.320 2.218 6.535 1.00 0.00 C ATOM 748 CD1 LEU A 47 -7.555 3.587 5.902 1.00 0.00 C ATOM 749 CD2 LEU A 47 -6.146 2.268 7.500 1.00 0.00 C ATOM 0 H LEU A 47 -10.747 -0.026 7.719 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.021 2.037 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.966 2.463 7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.292 0.845 7.876 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.080 1.524 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.639 3.926 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.351 3.514 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.843 4.300 6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.266 2.649 6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.389 2.925 8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.941 1.265 7.875 1.00 0.00 H new ATOM 761 N VAL A 48 -9.707 -0.010 4.278 1.00 0.00 N ATOM 762 CA VAL A 48 -9.453 -1.145 3.399 1.00 0.00 C ATOM 763 C VAL A 48 -9.111 -0.577 2.032 1.00 0.00 C ATOM 764 O VAL A 48 -9.396 0.575 1.767 1.00 0.00 O ATOM 765 CB VAL A 48 -10.700 -2.096 3.256 1.00 0.00 C ATOM 766 CG1 VAL A 48 -10.286 -3.445 2.712 1.00 0.00 C ATOM 767 CG2 VAL A 48 -11.455 -2.278 4.563 1.00 0.00 C ATOM 0 H VAL A 48 -10.197 0.763 3.828 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.645 -1.743 3.821 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.377 -1.611 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.163 -4.086 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.828 -3.317 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.568 -3.906 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.304 -2.943 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.790 -2.711 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.813 -1.310 4.914 1.00 0.00 H new ATOM 777 N GLN A 49 -8.522 -1.354 1.172 1.00 0.00 N ATOM 778 CA GLN A 49 -8.093 -0.842 -0.089 1.00 0.00 C ATOM 779 C GLN A 49 -9.192 -0.799 -1.143 1.00 0.00 C ATOM 780 O GLN A 49 -10.248 -1.433 -1.012 1.00 0.00 O ATOM 781 CB GLN A 49 -6.832 -1.532 -0.602 1.00 0.00 C ATOM 782 CG GLN A 49 -6.966 -2.994 -0.997 1.00 0.00 C ATOM 783 CD GLN A 49 -7.290 -3.927 0.142 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.922 -3.691 1.280 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.972 -4.976 -0.156 1.00 0.00 N ATOM 0 H GLN A 49 -8.329 -2.344 1.323 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.833 0.199 0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.469 -0.978 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.065 -1.457 0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.746 -3.082 -1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.034 -3.318 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.262 -5.139 -1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.223 -5.645 0.572 1.00 0.00 H new ATOM 794 N ASP A 50 -8.886 -0.081 -2.204 1.00 0.00 N ATOM 795 CA ASP A 50 -9.790 0.247 -3.313 1.00 0.00 C ATOM 796 C ASP A 50 -10.416 -0.955 -4.030 1.00 0.00 C ATOM 797 O ASP A 50 -11.358 -0.773 -4.799 1.00 0.00 O ATOM 798 CB ASP A 50 -9.069 1.116 -4.345 1.00 0.00 C ATOM 799 CG ASP A 50 -7.972 0.378 -5.078 1.00 0.00 C ATOM 800 OD1 ASP A 50 -6.936 0.048 -4.455 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.130 0.110 -6.293 1.00 0.00 O ATOM 0 H ASP A 50 -7.955 0.315 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.616 0.781 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.794 1.488 -5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.643 1.986 -3.845 1.00 0.00 H new ATOM 806 N ASP A 51 -9.940 -2.166 -3.796 1.00 0.00 N ATOM 807 CA ASP A 51 -10.540 -3.307 -4.493 1.00 0.00 C ATOM 808 C ASP A 51 -11.698 -3.866 -3.692 1.00 0.00 C ATOM 809 O ASP A 51 -12.479 -4.687 -4.181 1.00 0.00 O ATOM 810 CB ASP A 51 -9.531 -4.413 -4.887 1.00 0.00 C ATOM 811 CG ASP A 51 -9.152 -5.361 -3.790 1.00 0.00 C ATOM 812 OD1 ASP A 51 -8.467 -4.956 -2.854 1.00 0.00 O ATOM 813 OD2 ASP A 51 -9.491 -6.562 -3.885 1.00 0.00 O ATOM 0 H ASP A 51 -9.174 -2.388 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.915 -2.922 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.953 -4.988 -5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.625 -3.937 -5.261 1.00 0.00 H new ATOM 818 N GLN A 52 -11.820 -3.392 -2.467 1.00 0.00 N ATOM 819 CA GLN A 52 -12.919 -3.758 -1.586 1.00 0.00 C ATOM 820 C GLN A 52 -13.923 -2.631 -1.571 1.00 0.00 C ATOM 821 O GLN A 52 -15.009 -2.737 -1.005 1.00 0.00 O ATOM 822 CB GLN A 52 -12.394 -4.000 -0.187 1.00 0.00 C ATOM 823 CG GLN A 52 -11.362 -5.096 -0.137 1.00 0.00 C ATOM 824 CD GLN A 52 -11.940 -6.435 -0.489 1.00 0.00 C ATOM 825 OE1 GLN A 52 -11.976 -6.820 -1.640 1.00 0.00 O ATOM 826 NE2 GLN A 52 -12.385 -7.156 0.493 1.00 0.00 N ATOM 0 H GLN A 52 -11.157 -2.738 -2.050 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.395 -4.671 -1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.958 -3.078 0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.225 -4.258 0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.550 -4.860 -0.825 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.930 -5.140 0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.339 -6.801 1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.781 -8.078 0.310 1.00 0.00 H new ATOM 835 N VAL A 53 -13.529 -1.551 -2.190 1.00 0.00 N ATOM 836 CA VAL A 53 -14.351 -0.381 -2.314 1.00 0.00 C ATOM 837 C VAL A 53 -14.919 -0.315 -3.703 1.00 0.00 C ATOM 838 O VAL A 53 -14.186 -0.246 -4.697 1.00 0.00 O ATOM 839 CB VAL A 53 -13.571 0.919 -2.009 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.460 2.141 -2.206 1.00 0.00 C ATOM 841 CG2 VAL A 53 -13.063 0.888 -0.597 1.00 0.00 C ATOM 0 H VAL A 53 -12.613 -1.459 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.152 -0.461 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.730 0.986 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.891 3.044 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.809 2.174 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.317 2.080 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.514 1.806 -0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.904 0.803 0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.401 0.032 -0.467 1.00 0.00 H new ATOM 851 N LYS A 54 -16.198 -0.359 -3.773 1.00 0.00 N ATOM 852 CA LYS A 54 -16.884 -0.297 -5.021 1.00 0.00 C ATOM 853 C LYS A 54 -17.339 1.119 -5.238 1.00 0.00 C ATOM 854 O LYS A 54 -18.350 1.567 -4.657 1.00 0.00 O ATOM 855 CB LYS A 54 -18.074 -1.276 -5.058 1.00 0.00 C ATOM 856 CG LYS A 54 -17.700 -2.720 -4.723 1.00 0.00 C ATOM 857 CD LYS A 54 -16.580 -3.231 -5.620 1.00 0.00 C ATOM 858 CE LYS A 54 -16.129 -4.626 -5.225 1.00 0.00 C ATOM 859 NZ LYS A 54 -14.962 -5.074 -6.016 1.00 0.00 N ATOM 0 H LYS A 54 -16.809 -0.440 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.210 -0.596 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.834 -0.935 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.523 -1.249 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.389 -2.784 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.576 -3.359 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.920 -3.239 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.733 -2.547 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.875 -4.639 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.952 -5.327 -5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.081 -6.074 -6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.887 -4.499 -6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.096 -4.964 -5.450 1.00 0.00 H new ATOM 873 N GLY A 55 -16.562 1.848 -5.992 1.00 0.00 N ATOM 874 CA GLY A 55 -16.886 3.207 -6.285 1.00 0.00 C ATOM 875 C GLY A 55 -15.644 4.073 -6.424 1.00 0.00 C ATOM 876 O GLY A 55 -14.511 3.544 -6.401 1.00 0.00 O ATOM 0 H GLY A 55 -15.695 1.516 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.463 3.251 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.520 3.607 -5.494 1.00 0.00 H new ATOM 880 N PRO A 56 -15.821 5.395 -6.630 1.00 0.00 N ATOM 881 CA PRO A 56 -14.710 6.360 -6.717 1.00 0.00 C ATOM 882 C PRO A 56 -13.943 6.492 -5.409 1.00 0.00 C ATOM 883 O PRO A 56 -14.526 6.494 -4.324 1.00 0.00 O ATOM 884 CB PRO A 56 -15.397 7.701 -7.004 1.00 0.00 C ATOM 885 CG PRO A 56 -16.825 7.510 -6.619 1.00 0.00 C ATOM 886 CD PRO A 56 -17.127 6.053 -6.850 1.00 0.00 C ATOM 0 HA PRO A 56 -13.990 6.044 -7.472 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.940 8.506 -6.429 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.307 7.970 -8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.987 7.781 -5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.479 8.144 -7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.884 5.685 -6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.502 5.875 -7.858 1.00 0.00 H new ATOM 894 N LEU A 57 -12.659 6.641 -5.499 1.00 0.00 N ATOM 895 CA LEU A 57 -11.874 6.836 -4.313 1.00 0.00 C ATOM 896 C LEU A 57 -11.660 8.316 -4.153 1.00 0.00 C ATOM 897 O LEU A 57 -10.675 8.891 -4.636 1.00 0.00 O ATOM 898 CB LEU A 57 -10.536 6.065 -4.320 1.00 0.00 C ATOM 899 CG LEU A 57 -10.594 4.540 -4.533 1.00 0.00 C ATOM 900 CD1 LEU A 57 -11.725 3.903 -3.745 1.00 0.00 C ATOM 901 CD2 LEU A 57 -10.672 4.182 -5.999 1.00 0.00 C ATOM 0 H LEU A 57 -12.132 6.632 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.417 6.426 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.907 6.490 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.035 6.253 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.660 4.130 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.731 2.828 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.580 4.094 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.676 4.329 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.711 3.098 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.569 4.623 -6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.792 4.566 -6.515 1.00 0.00 H new ATOM 913 N ARG A 58 -12.631 8.937 -3.557 1.00 0.00 N ATOM 914 CA ARG A 58 -12.688 10.365 -3.453 1.00 0.00 C ATOM 915 C ARG A 58 -13.141 10.731 -2.069 1.00 0.00 C ATOM 916 O ARG A 58 -14.170 10.236 -1.621 1.00 0.00 O ATOM 917 CB ARG A 58 -13.710 10.845 -4.478 1.00 0.00 C ATOM 918 CG ARG A 58 -13.771 12.329 -4.716 1.00 0.00 C ATOM 919 CD ARG A 58 -12.539 12.815 -5.447 1.00 0.00 C ATOM 920 NE ARG A 58 -12.737 14.165 -5.955 1.00 0.00 N ATOM 921 CZ ARG A 58 -12.661 14.503 -7.244 1.00 0.00 C ATOM 922 NH1 ARG A 58 -12.166 13.649 -8.138 1.00 0.00 N ATOM 923 NH2 ARG A 58 -13.043 15.700 -7.631 1.00 0.00 N ATOM 0 H ARG A 58 -13.420 8.459 -3.122 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.716 10.822 -3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.497 10.355 -5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.697 10.509 -4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.661 12.571 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.861 12.850 -3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.681 12.797 -4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.311 12.141 -6.273 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.948 14.901 -5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.842 12.729 -7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.111 13.915 -9.121 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.397 16.369 -6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.986 15.960 -8.616 1.00 0.00 H new ATOM 937 N VAL A 59 -12.385 11.570 -1.378 1.00 0.00 N ATOM 938 CA VAL A 59 -12.765 11.963 -0.027 1.00 0.00 C ATOM 939 C VAL A 59 -14.081 12.713 -0.069 1.00 0.00 C ATOM 940 O VAL A 59 -14.213 13.734 -0.755 1.00 0.00 O ATOM 941 CB VAL A 59 -11.703 12.837 0.704 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.094 13.035 2.164 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.342 12.202 0.634 1.00 0.00 C ATOM 0 H VAL A 59 -11.519 11.987 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.852 11.038 0.544 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.665 13.804 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.343 13.648 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.062 13.533 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.158 12.066 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.619 12.832 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.373 11.221 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.045 12.091 -0.409 1.00 0.00 H new ATOM 953 N GLY A 60 -15.039 12.195 0.632 1.00 0.00 N ATOM 954 CA GLY A 60 -16.336 12.787 0.660 1.00 0.00 C ATOM 955 C GLY A 60 -17.299 12.152 -0.321 1.00 0.00 C ATOM 956 O GLY A 60 -18.428 12.627 -0.466 1.00 0.00 O ATOM 0 H GLY A 60 -14.944 11.352 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.745 12.704 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.249 13.850 0.438 1.00 0.00 H new ATOM 960 N ALA A 61 -16.887 11.085 -0.999 1.00 0.00 N ATOM 961 CA ALA A 61 -17.780 10.451 -1.968 1.00 0.00 C ATOM 962 C ALA A 61 -18.493 9.266 -1.352 1.00 0.00 C ATOM 963 O ALA A 61 -18.003 8.673 -0.387 1.00 0.00 O ATOM 964 CB ALA A 61 -17.041 10.043 -3.232 1.00 0.00 C ATOM 0 H ALA A 61 -15.969 10.650 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.529 11.190 -2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.739 9.576 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.602 10.925 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.252 9.335 -2.980 1.00 0.00 H new ATOM 970 N ILE A 62 -19.637 8.935 -1.905 1.00 0.00 N ATOM 971 CA ILE A 62 -20.456 7.829 -1.425 1.00 0.00 C ATOM 972 C ILE A 62 -20.112 6.560 -2.222 1.00 0.00 C ATOM 973 O ILE A 62 -20.263 6.538 -3.448 1.00 0.00 O ATOM 974 CB ILE A 62 -21.973 8.146 -1.617 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.357 9.492 -0.964 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.840 7.023 -1.068 1.00 0.00 C ATOM 977 CD1 ILE A 62 -22.126 9.561 0.530 1.00 0.00 C ATOM 0 H ILE A 62 -20.034 9.425 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 62 -20.253 7.680 -0.364 1.00 0.00 H new ATOM 0 HB ILE A 62 -22.154 8.228 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.787 10.288 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.410 9.690 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.891 7.270 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.609 6.095 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.642 6.898 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.424 10.542 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.718 8.791 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -21.069 9.399 0.743 1.00 0.00 H new ATOM 989 N VAL A 63 -19.644 5.529 -1.543 1.00 0.00 N ATOM 990 CA VAL A 63 -19.252 4.269 -2.183 1.00 0.00 C ATOM 991 C VAL A 63 -19.742 3.100 -1.365 1.00 0.00 C ATOM 992 O VAL A 63 -20.367 3.285 -0.343 1.00 0.00 O ATOM 993 CB VAL A 63 -17.716 4.138 -2.298 1.00 0.00 C ATOM 994 CG1 VAL A 63 -17.157 5.201 -3.202 1.00 0.00 C ATOM 995 CG2 VAL A 63 -17.065 4.202 -0.914 1.00 0.00 C ATOM 0 H VAL A 63 -19.522 5.533 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.694 4.270 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.487 3.167 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -16.075 5.090 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.594 5.100 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.397 6.185 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.984 4.108 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.304 5.156 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.443 3.388 -0.296 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.449 1.906 -1.807 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.787 0.719 -1.045 1.00 0.00 C ATOM 1007 C GLU A 64 -18.538 -0.065 -0.756 1.00 0.00 C ATOM 1008 O GLU A 64 -17.813 -0.432 -1.660 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.829 -0.114 -1.771 1.00 0.00 C ATOM 1010 CG GLU A 64 -22.173 0.590 -1.834 1.00 0.00 C ATOM 1011 CD GLU A 64 -23.216 -0.156 -2.602 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -23.800 -1.110 -2.071 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -23.510 0.228 -3.750 1.00 0.00 O ATOM 0 H GLU A 64 -18.976 1.723 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.230 1.014 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.483 -0.327 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.945 -1.072 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.533 0.755 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -22.036 1.572 -2.287 1.00 0.00 H new ATOM 1020 N THR A 65 -18.258 -0.271 0.492 1.00 0.00 N ATOM 1021 CA THR A 65 -17.088 -0.921 0.901 1.00 0.00 C ATOM 1022 C THR A 65 -17.436 -2.247 1.557 1.00 0.00 C ATOM 1023 O THR A 65 -18.500 -2.380 2.185 1.00 0.00 O ATOM 1024 CB THR A 65 -16.418 -0.029 1.914 1.00 0.00 C ATOM 1025 OG1 THR A 65 -16.310 1.290 1.368 1.00 0.00 O ATOM 1026 CG2 THR A 65 -15.067 -0.548 2.264 1.00 0.00 C ATOM 0 H THR A 65 -18.861 0.021 1.261 1.00 0.00 H new ATOM 0 HA THR A 65 -16.437 -1.114 0.049 1.00 0.00 H new ATOM 0 HB THR A 65 -17.017 -0.008 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 65 -17.027 1.853 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.602 0.112 2.997 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.160 -1.549 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.449 -0.587 1.367 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.577 -3.212 1.389 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.754 -4.488 2.012 1.00 0.00 C ATOM 1036 C ARG A 66 -16.216 -4.394 3.416 1.00 0.00 C ATOM 1037 O ARG A 66 -15.091 -3.952 3.626 1.00 0.00 O ATOM 1038 CB ARG A 66 -16.025 -5.599 1.260 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.438 -6.992 1.717 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.647 -8.079 1.025 1.00 0.00 C ATOM 1041 NE ARG A 66 -16.222 -9.411 1.274 1.00 0.00 N ATOM 1042 CZ ARG A 66 -15.549 -10.516 1.642 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -14.262 -10.454 1.964 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -16.188 -11.684 1.698 1.00 0.00 N ATOM 0 H ARG A 66 -15.736 -3.134 0.817 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.815 -4.739 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.222 -5.499 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.950 -5.480 1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.299 -7.075 2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.500 -7.137 1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.625 -7.887 -0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.615 -8.057 1.374 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.231 -9.505 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.771 -9.560 1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.764 -11.300 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.179 -11.735 1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.686 -12.527 1.976 1.00 0.00 H new ATOM 1058 N THR A 67 -17.018 -4.767 4.351 1.00 0.00 N ATOM 1059 CA THR A 67 -16.637 -4.718 5.726 1.00 0.00 C ATOM 1060 C THR A 67 -16.040 -6.057 6.129 1.00 0.00 C ATOM 1061 O THR A 67 -16.077 -7.018 5.345 1.00 0.00 O ATOM 1062 CB THR A 67 -17.863 -4.407 6.605 1.00 0.00 C ATOM 1063 OG1 THR A 67 -18.898 -5.384 6.356 1.00 0.00 O ATOM 1064 CG2 THR A 67 -18.402 -3.020 6.299 1.00 0.00 C ATOM 0 H THR A 67 -17.962 -5.117 4.187 1.00 0.00 H new ATOM 0 HA THR A 67 -15.897 -3.930 5.867 1.00 0.00 H new ATOM 0 HB THR A 67 -17.558 -4.446 7.651 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.152 -5.358 5.410 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.268 -2.819 6.930 1.00 0.00 H new ATOM 0 HG22 THR A 67 -17.629 -2.277 6.496 1.00 0.00 H new ATOM 0 HG23 THR A 67 -18.697 -2.967 5.251 1.00 0.00 H new ATOM 1072 N SER A 68 -15.548 -6.149 7.346 1.00 0.00 N ATOM 1073 CA SER A 68 -14.961 -7.378 7.857 1.00 0.00 C ATOM 1074 C SER A 68 -16.024 -8.486 8.059 1.00 0.00 C ATOM 1075 O SER A 68 -15.701 -9.638 8.377 1.00 0.00 O ATOM 1076 CB SER A 68 -14.236 -7.060 9.144 1.00 0.00 C ATOM 1077 OG SER A 68 -13.379 -5.942 8.926 1.00 0.00 O ATOM 0 H SER A 68 -15.542 -5.376 8.012 1.00 0.00 H new ATOM 0 HA SER A 68 -14.254 -7.772 7.126 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.952 -6.838 9.935 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.655 -7.922 9.473 1.00 0.00 H new ATOM 0 HG SER A 68 -12.905 -5.726 9.756 1.00 0.00 H new ATOM 1083 N ASP A 69 -17.281 -8.129 7.853 1.00 0.00 N ATOM 1084 CA ASP A 69 -18.374 -9.075 7.926 1.00 0.00 C ATOM 1085 C ASP A 69 -18.493 -9.812 6.595 1.00 0.00 C ATOM 1086 O ASP A 69 -19.128 -10.844 6.492 1.00 0.00 O ATOM 1087 CB ASP A 69 -19.691 -8.350 8.260 1.00 0.00 C ATOM 1088 CG ASP A 69 -20.876 -9.292 8.380 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -21.034 -9.931 9.441 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -21.661 -9.415 7.411 1.00 0.00 O ATOM 0 H ASP A 69 -17.569 -7.176 7.631 1.00 0.00 H new ATOM 0 HA ASP A 69 -18.174 -9.796 8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -19.571 -7.805 9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -19.899 -7.611 7.486 1.00 0.00 H new ATOM 1095 N GLY A 70 -17.846 -9.277 5.582 1.00 0.00 N ATOM 1096 CA GLY A 70 -17.898 -9.876 4.272 1.00 0.00 C ATOM 1097 C GLY A 70 -18.932 -9.210 3.411 1.00 0.00 C ATOM 1098 O GLY A 70 -18.913 -9.332 2.187 1.00 0.00 O ATOM 0 H GLY A 70 -17.280 -8.431 5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.921 -9.800 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.126 -10.938 4.364 1.00 0.00 H new ATOM 1102 N SER A 71 -19.797 -8.484 4.051 1.00 0.00 N ATOM 1103 CA SER A 71 -20.862 -7.796 3.409 1.00 0.00 C ATOM 1104 C SER A 71 -20.455 -6.356 3.087 1.00 0.00 C ATOM 1105 O SER A 71 -19.522 -5.796 3.715 1.00 0.00 O ATOM 1106 CB SER A 71 -22.067 -7.843 4.333 1.00 0.00 C ATOM 1107 OG SER A 71 -21.693 -7.465 5.658 1.00 0.00 O ATOM 0 H SER A 71 -19.776 -8.354 5.062 1.00 0.00 H new ATOM 0 HA SER A 71 -21.110 -8.272 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.844 -7.174 3.963 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.489 -8.848 4.340 1.00 0.00 H new ATOM 0 HG SER A 71 -21.555 -8.269 6.201 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.119 -5.765 2.124 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.847 -4.405 1.723 1.00 0.00 C ATOM 1115 C PHE A 72 -21.783 -3.447 2.431 1.00 0.00 C ATOM 1116 O PHE A 72 -22.924 -3.797 2.753 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.952 -4.240 0.193 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.850 -4.922 -0.584 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.880 -6.290 -0.818 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -18.777 -4.189 -1.070 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.865 -6.908 -1.523 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -17.757 -4.803 -1.776 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.802 -6.166 -2.002 1.00 0.00 C ATOM 0 H PHE A 72 -21.866 -6.214 1.594 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.823 -4.168 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.912 -4.636 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.945 -3.177 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.706 -6.878 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.737 -3.124 -0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.902 -7.973 -1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.929 -4.219 -2.149 1.00 0.00 H new ATOM 0 HZ PHE A 72 -17.008 -6.650 -2.552 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.297 -2.283 2.713 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.072 -1.253 3.346 1.00 0.00 C ATOM 1135 C GLN A 73 -21.748 0.035 2.626 1.00 0.00 C ATOM 1136 O GLN A 73 -20.593 0.229 2.200 1.00 0.00 O ATOM 1137 CB GLN A 73 -21.681 -1.130 4.825 1.00 0.00 C ATOM 1138 CG GLN A 73 -22.559 -0.192 5.661 1.00 0.00 C ATOM 1139 CD GLN A 73 -23.841 -0.828 6.205 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -24.373 -1.818 5.534 1.00 0.00 O flip ATOM 1141 NE2 GLN A 73 -24.331 -0.424 7.256 1.00 0.00 N flip ATOM 0 H GLN A 73 -20.335 -2.011 2.509 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.137 -1.480 3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.709 -2.123 5.274 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -20.650 -0.782 4.883 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -21.971 0.182 6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.828 0.670 5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -23.895 0.350 7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.174 -0.862 7.627 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.725 0.886 2.468 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.520 2.127 1.784 1.00 0.00 C ATOM 1152 C GLU A 74 -21.876 3.118 2.750 1.00 0.00 C ATOM 1153 O GLU A 74 -22.325 3.292 3.906 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.826 2.643 1.169 1.00 0.00 C ATOM 1155 CG GLU A 74 -23.629 3.787 0.191 1.00 0.00 C ATOM 1156 CD GLU A 74 -24.871 4.111 -0.594 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -25.129 3.449 -1.633 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.617 5.020 -0.204 1.00 0.00 O ATOM 0 H GLU A 74 -23.676 0.738 2.807 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.841 1.986 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.326 1.821 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.490 2.971 1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.310 4.674 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.825 3.532 -0.500 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.834 3.731 2.298 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.993 4.523 3.126 1.00 0.00 C ATOM 1167 C ALA A 75 -19.525 5.757 2.417 1.00 0.00 C ATOM 1168 O ALA A 75 -19.772 5.931 1.223 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.798 3.697 3.521 1.00 0.00 C ATOM 0 H ALA A 75 -20.539 3.694 1.322 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.561 4.835 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.141 4.289 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.131 2.813 4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.256 3.390 2.626 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.851 6.598 3.149 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.277 7.816 2.592 1.00 0.00 C ATOM 1177 C ILE A 76 -16.773 7.746 2.797 1.00 0.00 C ATOM 1178 O ILE A 76 -16.325 7.291 3.849 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.769 9.151 3.283 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.291 9.198 3.555 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.365 10.357 2.444 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.745 8.441 4.794 1.00 0.00 C ATOM 0 H ILE A 76 -18.678 6.470 4.146 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.589 7.857 1.548 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.280 9.178 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.596 10.240 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.813 8.793 2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.709 11.270 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.280 10.385 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.817 10.280 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -21.826 8.532 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.478 7.389 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.257 8.859 5.675 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.993 8.159 1.814 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.541 8.179 1.977 1.00 0.00 C ATOM 1196 C ILE A 77 -14.136 9.328 2.896 1.00 0.00 C ATOM 1197 O ILE A 77 -14.541 10.471 2.682 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.728 8.309 0.637 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.957 7.141 -0.329 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.238 8.457 0.906 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.260 7.177 -1.052 1.00 0.00 C ATOM 0 H ILE A 77 -16.328 8.481 0.906 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.291 7.208 2.404 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.106 9.211 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.150 7.130 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.893 6.207 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.704 8.545 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.063 9.351 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.877 7.582 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.334 6.313 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.077 7.154 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.323 8.091 -1.643 1.00 0.00 H new ATOM 1213 N SER A 78 -13.379 9.026 3.908 1.00 0.00 N ATOM 1214 CA SER A 78 -12.879 10.018 4.821 1.00 0.00 C ATOM 1215 C SER A 78 -11.368 10.242 4.635 1.00 0.00 C ATOM 1216 O SER A 78 -10.858 11.311 4.948 1.00 0.00 O ATOM 1217 CB SER A 78 -13.177 9.592 6.254 1.00 0.00 C ATOM 1218 OG SER A 78 -14.576 9.404 6.452 1.00 0.00 O ATOM 0 H SER A 78 -13.086 8.074 4.128 1.00 0.00 H new ATOM 0 HA SER A 78 -13.382 10.962 4.610 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.647 8.667 6.479 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.807 10.348 6.946 1.00 0.00 H new ATOM 0 HG SER A 78 -14.741 9.129 7.378 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.672 9.260 4.088 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.219 9.344 3.936 1.00 0.00 C ATOM 1226 C LYS A 79 -8.765 8.290 2.949 1.00 0.00 C ATOM 1227 O LYS A 79 -9.460 7.297 2.750 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.516 9.042 5.288 1.00 0.00 C ATOM 1229 CG LYS A 79 -7.039 9.416 5.329 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.387 8.946 6.615 1.00 0.00 C ATOM 1231 CE LYS A 79 -4.932 9.380 6.697 1.00 0.00 C ATOM 1232 NZ LYS A 79 -4.781 10.852 6.732 1.00 0.00 N ATOM 0 H LYS A 79 -11.084 8.394 3.740 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.964 10.348 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.036 9.579 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.615 7.978 5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.526 8.973 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.933 10.497 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.935 9.346 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.447 7.859 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.478 8.950 7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.389 8.982 5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.808 11.095 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.983 11.244 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.446 11.253 7.424 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.647 8.517 2.312 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.003 7.501 1.519 1.00 0.00 C ATOM 1248 C LEU A 80 -5.546 7.455 1.933 1.00 0.00 C ATOM 1249 O LEU A 80 -4.901 8.503 2.073 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.054 7.737 -0.002 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.405 7.941 -0.709 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -8.989 9.296 -0.420 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -8.229 7.767 -2.199 1.00 0.00 C ATOM 0 H LEU A 80 -7.156 9.411 2.328 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.543 6.572 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.443 8.614 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.566 6.886 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.099 7.193 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.942 9.399 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.146 9.403 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.303 10.069 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.187 7.912 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.513 8.501 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.860 6.763 -2.407 1.00 0.00 H new ATOM 1265 N THR A 81 -5.041 6.290 2.145 1.00 0.00 N ATOM 1266 CA THR A 81 -3.674 6.104 2.530 1.00 0.00 C ATOM 1267 C THR A 81 -2.908 5.597 1.313 1.00 0.00 C ATOM 1268 O THR A 81 -3.285 4.563 0.729 1.00 0.00 O ATOM 1269 CB THR A 81 -3.593 5.061 3.648 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.678 5.278 4.573 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.273 5.177 4.392 1.00 0.00 C ATOM 0 H THR A 81 -5.569 5.422 2.056 1.00 0.00 H new ATOM 0 HA THR A 81 -3.250 7.042 2.888 1.00 0.00 H new ATOM 0 HB THR A 81 -3.662 4.066 3.209 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.528 5.056 4.138 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.234 4.428 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.449 5.015 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.188 6.171 4.830 1.00 0.00 H new ATOM 1301 N SER A 84 1.410 1.351 -2.422 1.00 0.00 N ATOM 1302 CA SER A 84 1.874 0.769 -3.638 1.00 0.00 C ATOM 1303 C SER A 84 3.023 -0.129 -3.311 1.00 0.00 C ATOM 1304 O SER A 84 4.124 0.310 -3.015 1.00 0.00 O ATOM 1305 CB SER A 84 2.212 1.820 -4.710 1.00 0.00 C ATOM 1306 OG SER A 84 2.892 2.924 -4.153 1.00 0.00 O ATOM 0 HA SER A 84 1.076 0.179 -4.089 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.828 1.365 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.294 2.160 -5.190 1.00 0.00 H new ATOM 0 HG SER A 84 2.621 3.037 -3.218 1.00 0.00 H new ATOM 1312 N TRP A 85 2.731 -1.371 -3.284 1.00 0.00 N ATOM 1313 CA TRP A 85 3.678 -2.365 -2.896 1.00 0.00 C ATOM 1314 C TRP A 85 4.306 -2.976 -4.098 1.00 0.00 C ATOM 1315 O TRP A 85 3.622 -3.517 -4.969 1.00 0.00 O ATOM 1316 CB TRP A 85 3.026 -3.399 -1.996 1.00 0.00 C ATOM 1317 CG TRP A 85 2.716 -2.844 -0.630 1.00 0.00 C ATOM 1318 CD1 TRP A 85 1.555 -2.261 -0.221 1.00 0.00 C ATOM 1319 CD2 TRP A 85 3.605 -2.788 0.498 1.00 0.00 C ATOM 1320 NE1 TRP A 85 1.660 -1.856 1.086 1.00 0.00 N ATOM 1321 CE2 TRP A 85 2.906 -2.171 1.550 1.00 0.00 C ATOM 1322 CE3 TRP A 85 4.919 -3.207 0.720 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 3.478 -1.958 2.800 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 5.484 -2.995 1.964 1.00 0.00 C ATOM 1325 CH2 TRP A 85 4.764 -2.378 2.987 1.00 0.00 C ATOM 0 H TRP A 85 1.814 -1.742 -3.533 1.00 0.00 H new ATOM 0 HA TRP A 85 4.474 -1.896 -2.318 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.106 -3.755 -2.460 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.686 -4.260 -1.896 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.677 -2.135 -0.837 1.00 0.00 H new ATOM 0 HE1 TRP A 85 0.927 -1.394 1.624 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.483 -3.688 -0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.925 -1.478 3.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.500 -3.312 2.147 1.00 0.00 H new ATOM 0 HH2 TRP A 85 5.234 -2.229 3.948 1.00 0.00 H new ATOM 1336 N TYR A 86 5.583 -2.872 -4.172 1.00 0.00 N ATOM 1337 CA TYR A 86 6.283 -3.320 -5.314 1.00 0.00 C ATOM 1338 C TYR A 86 6.980 -4.611 -4.989 1.00 0.00 C ATOM 1339 O TYR A 86 7.890 -4.648 -4.151 1.00 0.00 O ATOM 1340 CB TYR A 86 7.303 -2.262 -5.750 1.00 0.00 C ATOM 1341 CG TYR A 86 6.761 -0.844 -5.711 1.00 0.00 C ATOM 1342 CD1 TYR A 86 5.836 -0.391 -6.640 1.00 0.00 C ATOM 1343 CD2 TYR A 86 7.177 0.031 -4.725 1.00 0.00 C ATOM 1344 CE1 TYR A 86 5.339 0.890 -6.580 1.00 0.00 C ATOM 1345 CE2 TYR A 86 6.697 1.309 -4.655 1.00 0.00 C ATOM 1346 CZ TYR A 86 5.778 1.738 -5.569 1.00 0.00 C ATOM 1347 OH TYR A 86 5.305 3.024 -5.488 1.00 0.00 O ATOM 0 H TYR A 86 6.171 -2.473 -3.440 1.00 0.00 H new ATOM 0 HA TYR A 86 5.582 -3.484 -6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.179 -2.325 -5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.637 -2.487 -6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 86 5.501 -1.055 -7.423 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.898 -0.303 -3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.618 1.232 -7.308 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.043 1.977 -3.880 1.00 0.00 H new ATOM 0 HH TYR A 86 4.513 3.046 -4.911 1.00 0.00 H new ATOM 1357 N THR A 87 6.513 -5.668 -5.571 1.00 0.00 N ATOM 1358 CA THR A 87 7.155 -6.909 -5.462 1.00 0.00 C ATOM 1359 C THR A 87 8.290 -6.853 -6.443 1.00 0.00 C ATOM 1360 O THR A 87 8.078 -6.793 -7.665 1.00 0.00 O ATOM 1361 CB THR A 87 6.206 -8.043 -5.816 1.00 0.00 C ATOM 1362 OG1 THR A 87 4.988 -7.892 -5.061 1.00 0.00 O ATOM 1363 CG2 THR A 87 6.841 -9.373 -5.479 1.00 0.00 C ATOM 0 H THR A 87 5.665 -5.679 -6.138 1.00 0.00 H new ATOM 0 HA THR A 87 7.499 -7.096 -4.445 1.00 0.00 H new ATOM 0 HB THR A 87 5.989 -8.011 -6.884 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.168 -8.060 -4.112 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.154 -10.180 -5.736 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.765 -9.489 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.062 -9.411 -4.412 1.00 0.00 H new ATOM 1371 N VAL A 88 9.455 -6.771 -5.930 1.00 0.00 N ATOM 1372 CA VAL A 88 10.607 -6.581 -6.729 1.00 0.00 C ATOM 1373 C VAL A 88 11.497 -7.800 -6.670 1.00 0.00 C ATOM 1374 O VAL A 88 11.571 -8.480 -5.647 1.00 0.00 O ATOM 1375 CB VAL A 88 11.384 -5.299 -6.292 1.00 0.00 C ATOM 1376 CG1 VAL A 88 10.572 -4.056 -6.559 1.00 0.00 C ATOM 1377 CG2 VAL A 88 11.719 -5.344 -4.836 1.00 0.00 C ATOM 0 H VAL A 88 9.642 -6.834 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 88 10.288 -6.440 -7.762 1.00 0.00 H new ATOM 0 HB VAL A 88 12.303 -5.268 -6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.137 -3.178 -6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.354 -3.986 -7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.637 -4.105 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.260 -4.439 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.800 -5.411 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.342 -6.215 -4.633 1.00 0.00 H new ATOM 1387 N VAL A 89 12.125 -8.081 -7.764 1.00 0.00 N ATOM 1388 CA VAL A 89 13.039 -9.185 -7.872 1.00 0.00 C ATOM 1389 C VAL A 89 14.451 -8.646 -7.775 1.00 0.00 C ATOM 1390 O VAL A 89 14.854 -7.779 -8.537 1.00 0.00 O ATOM 1391 CB VAL A 89 12.809 -10.048 -9.159 1.00 0.00 C ATOM 1392 CG1 VAL A 89 12.834 -9.208 -10.431 1.00 0.00 C ATOM 1393 CG2 VAL A 89 13.826 -11.177 -9.246 1.00 0.00 C ATOM 0 H VAL A 89 12.020 -7.545 -8.626 1.00 0.00 H new ATOM 0 HA VAL A 89 12.859 -9.876 -7.049 1.00 0.00 H new ATOM 0 HB VAL A 89 11.812 -10.480 -9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.670 -9.852 -11.295 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.048 -8.455 -10.385 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.802 -8.716 -10.523 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.645 -11.761 -10.148 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.832 -10.759 -9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.731 -11.821 -8.372 1.00 0.00 H new ATOM 1403 N PHE A 90 15.159 -9.124 -6.816 1.00 0.00 N ATOM 1404 CA PHE A 90 16.473 -8.603 -6.471 1.00 0.00 C ATOM 1405 C PHE A 90 17.549 -9.294 -7.253 1.00 0.00 C ATOM 1406 O PHE A 90 17.258 -10.174 -8.070 1.00 0.00 O ATOM 1407 CB PHE A 90 16.722 -8.822 -4.978 1.00 0.00 C ATOM 1408 CG PHE A 90 15.754 -8.112 -4.083 1.00 0.00 C ATOM 1409 CD1 PHE A 90 14.431 -8.486 -4.033 1.00 0.00 C ATOM 1410 CD2 PHE A 90 16.174 -7.091 -3.280 1.00 0.00 C ATOM 1411 CE1 PHE A 90 13.555 -7.855 -3.207 1.00 0.00 C ATOM 1412 CE2 PHE A 90 15.295 -6.453 -2.446 1.00 0.00 C ATOM 1413 CZ PHE A 90 13.985 -6.836 -2.407 1.00 0.00 C ATOM 0 H PHE A 90 14.855 -9.900 -6.228 1.00 0.00 H new ATOM 0 HA PHE A 90 16.498 -7.540 -6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 90 16.678 -9.890 -4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 90 17.732 -8.491 -4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.083 -9.294 -4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 90 17.209 -6.784 -3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 90 12.519 -8.160 -3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.639 -5.645 -1.817 1.00 0.00 H new ATOM 0 HZ PHE A 90 13.293 -6.335 -1.747 1.00 0.00 H new ATOM 1423 N ASP A 91 18.803 -8.935 -6.983 1.00 0.00 N ATOM 1424 CA ASP A 91 19.951 -9.625 -7.596 1.00 0.00 C ATOM 1425 C ASP A 91 20.036 -11.045 -7.030 1.00 0.00 C ATOM 1426 O ASP A 91 20.718 -11.915 -7.570 1.00 0.00 O ATOM 1427 CB ASP A 91 21.284 -8.872 -7.374 1.00 0.00 C ATOM 1428 CG ASP A 91 21.798 -8.909 -5.944 1.00 0.00 C ATOM 1429 OD1 ASP A 91 21.438 -8.030 -5.147 1.00 0.00 O ATOM 1430 OD2 ASP A 91 22.602 -9.808 -5.607 1.00 0.00 O ATOM 0 H ASP A 91 19.055 -8.177 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 91 19.791 -9.657 -8.674 1.00 0.00 H new ATOM 0 HB2 ASP A 91 22.042 -9.300 -8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 91 21.153 -7.832 -7.673 1.00 0.00 H new ATOM 1435 N ASP A 92 19.311 -11.256 -5.927 1.00 0.00 N ATOM 1436 CA ASP A 92 19.137 -12.571 -5.307 1.00 0.00 C ATOM 1437 C ASP A 92 18.294 -13.468 -6.191 1.00 0.00 C ATOM 1438 O ASP A 92 18.251 -14.673 -5.996 1.00 0.00 O ATOM 1439 CB ASP A 92 18.400 -12.455 -3.962 1.00 0.00 C ATOM 1440 CG ASP A 92 19.219 -11.894 -2.840 1.00 0.00 C ATOM 1441 OD1 ASP A 92 19.223 -10.669 -2.643 1.00 0.00 O ATOM 1442 OD2 ASP A 92 19.843 -12.686 -2.107 1.00 0.00 O ATOM 0 H ASP A 92 18.823 -10.508 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 92 20.134 -12.986 -5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.520 -11.827 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 92 18.044 -13.444 -3.673 1.00 0.00 H new ATOM 1447 N GLY A 93 17.579 -12.869 -7.133 1.00 0.00 N ATOM 1448 CA GLY A 93 16.705 -13.623 -8.012 1.00 0.00 C ATOM 1449 C GLY A 93 15.371 -13.929 -7.355 1.00 0.00 C ATOM 1450 O GLY A 93 14.482 -14.509 -7.970 1.00 0.00 O ATOM 0 H GLY A 93 17.589 -11.864 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.537 -13.058 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.192 -14.556 -8.296 1.00 0.00 H new ATOM 1454 N ASP A 94 15.253 -13.561 -6.099 1.00 0.00 N ATOM 1455 CA ASP A 94 14.048 -13.776 -5.323 1.00 0.00 C ATOM 1456 C ASP A 94 13.238 -12.484 -5.315 1.00 0.00 C ATOM 1457 O ASP A 94 13.779 -11.418 -5.668 1.00 0.00 O ATOM 1458 CB ASP A 94 14.403 -14.222 -3.899 1.00 0.00 C ATOM 1459 CG ASP A 94 13.206 -14.751 -3.136 1.00 0.00 C ATOM 1460 OD1 ASP A 94 12.935 -15.963 -3.208 1.00 0.00 O ATOM 1461 OD2 ASP A 94 12.521 -13.973 -2.460 1.00 0.00 O ATOM 0 H ASP A 94 15.999 -13.098 -5.580 1.00 0.00 H new ATOM 0 HA ASP A 94 13.450 -14.569 -5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.170 -14.995 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.832 -13.380 -3.355 1.00 0.00 H new ATOM 1466 N GLU A 95 12.002 -12.547 -4.887 1.00 0.00 N ATOM 1467 CA GLU A 95 11.127 -11.419 -4.923 1.00 0.00 C ATOM 1468 C GLU A 95 10.607 -11.069 -3.516 1.00 0.00 C ATOM 1469 O GLU A 95 10.140 -11.936 -2.767 1.00 0.00 O ATOM 1470 CB GLU A 95 9.975 -11.694 -5.914 1.00 0.00 C ATOM 1471 CG GLU A 95 9.072 -12.882 -5.541 1.00 0.00 C ATOM 1472 CD GLU A 95 8.059 -13.234 -6.614 1.00 0.00 C ATOM 1473 OE1 GLU A 95 7.009 -12.579 -6.724 1.00 0.00 O ATOM 1474 OE2 GLU A 95 8.303 -14.188 -7.386 1.00 0.00 O ATOM 0 H GLU A 95 11.579 -13.392 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 95 11.681 -10.548 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.359 -10.798 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.400 -11.875 -6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.696 -13.753 -5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.544 -12.650 -4.616 1.00 0.00 H new ATOM 1481 N ARG A 96 10.742 -9.828 -3.147 1.00 0.00 N ATOM 1482 CA ARG A 96 10.210 -9.325 -1.886 1.00 0.00 C ATOM 1483 C ARG A 96 9.337 -8.139 -2.217 1.00 0.00 C ATOM 1484 O ARG A 96 9.582 -7.455 -3.210 1.00 0.00 O ATOM 1485 CB ARG A 96 11.295 -8.866 -0.861 1.00 0.00 C ATOM 1486 CG ARG A 96 12.195 -9.927 -0.176 1.00 0.00 C ATOM 1487 CD ARG A 96 13.149 -10.669 -1.116 1.00 0.00 C ATOM 1488 NE ARG A 96 14.413 -11.003 -0.420 1.00 0.00 N ATOM 1489 CZ ARG A 96 14.886 -12.233 -0.146 1.00 0.00 C ATOM 1490 NH1 ARG A 96 14.244 -13.308 -0.541 1.00 0.00 N ATOM 1491 NH2 ARG A 96 16.032 -12.368 0.510 1.00 0.00 N ATOM 0 H ARG A 96 11.224 -9.123 -3.705 1.00 0.00 H new ATOM 0 HA ARG A 96 9.673 -10.145 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.951 -8.162 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.786 -8.311 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.782 -9.437 0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.556 -10.658 0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.675 -11.581 -1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.361 -10.052 -1.989 1.00 0.00 H new ATOM 0 HE ARG A 96 14.987 -10.216 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.373 -13.218 -1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.616 -14.233 -0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.551 -11.541 0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.393 -13.299 0.719 1.00 0.00 H new ATOM 1505 N THR A 97 8.350 -7.893 -1.423 1.00 0.00 N ATOM 1506 CA THR A 97 7.458 -6.805 -1.651 1.00 0.00 C ATOM 1507 C THR A 97 7.749 -5.660 -0.664 1.00 0.00 C ATOM 1508 O THR A 97 7.686 -5.844 0.553 1.00 0.00 O ATOM 1509 CB THR A 97 5.998 -7.294 -1.523 1.00 0.00 C ATOM 1510 OG1 THR A 97 5.783 -8.416 -2.412 1.00 0.00 O ATOM 1511 CG2 THR A 97 5.038 -6.202 -1.892 1.00 0.00 C ATOM 0 H THR A 97 8.137 -8.444 -0.592 1.00 0.00 H new ATOM 0 HA THR A 97 7.607 -6.421 -2.660 1.00 0.00 H new ATOM 0 HB THR A 97 5.826 -7.590 -0.488 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.857 -8.726 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.016 -6.568 -1.795 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.183 -5.350 -1.228 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.216 -5.893 -2.922 1.00 0.00 H new ATOM 1519 N LEU A 98 8.125 -4.514 -1.198 1.00 0.00 N ATOM 1520 CA LEU A 98 8.401 -3.318 -0.407 1.00 0.00 C ATOM 1521 C LEU A 98 7.902 -2.095 -1.139 1.00 0.00 C ATOM 1522 O LEU A 98 7.767 -2.118 -2.361 1.00 0.00 O ATOM 1523 CB LEU A 98 9.906 -3.151 -0.017 1.00 0.00 C ATOM 1524 CG LEU A 98 10.968 -3.237 -1.107 1.00 0.00 C ATOM 1525 CD1 LEU A 98 12.238 -2.642 -0.576 1.00 0.00 C ATOM 1526 CD2 LEU A 98 11.231 -4.683 -1.477 1.00 0.00 C ATOM 0 H LEU A 98 8.250 -4.380 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 98 7.864 -3.436 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.013 -2.182 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.138 -3.911 0.729 1.00 0.00 H new ATOM 0 HG LEU A 98 10.621 -2.701 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 98 13.012 -2.694 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 98 12.066 -1.601 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 98 12.560 -3.199 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 98 11.992 -4.727 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 98 11.580 -5.226 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.311 -5.138 -1.842 1.00 0.00 H new ATOM 1538 N ARG A 99 7.556 -1.059 -0.406 1.00 0.00 N ATOM 1539 CA ARG A 99 7.071 0.153 -1.025 1.00 0.00 C ATOM 1540 C ARG A 99 8.180 1.219 -1.098 1.00 0.00 C ATOM 1541 O ARG A 99 9.334 0.953 -0.723 1.00 0.00 O ATOM 1542 CB ARG A 99 5.792 0.683 -0.344 1.00 0.00 C ATOM 1543 CG ARG A 99 5.941 1.188 1.078 1.00 0.00 C ATOM 1544 CD ARG A 99 4.637 1.810 1.558 1.00 0.00 C ATOM 1545 NE ARG A 99 4.763 2.421 2.881 1.00 0.00 N ATOM 1546 CZ ARG A 99 4.130 3.548 3.274 1.00 0.00 C ATOM 1547 NH1 ARG A 99 3.339 4.222 2.422 1.00 0.00 N ATOM 1548 NH2 ARG A 99 4.305 4.002 4.502 1.00 0.00 N ATOM 0 H ARG A 99 7.601 -1.032 0.613 1.00 0.00 H new ATOM 0 HA ARG A 99 6.789 -0.092 -2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.392 1.493 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.049 -0.114 -0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.223 0.366 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.743 1.925 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.313 2.565 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.862 1.044 1.587 1.00 0.00 H new ATOM 0 HE ARG A 99 5.374 1.962 3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.212 3.884 1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.866 5.072 2.729 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.916 3.502 5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.830 4.852 4.804 1.00 0.00 H new ATOM 1562 N ARG A 100 7.812 2.433 -1.536 1.00 0.00 N ATOM 1563 CA ARG A 100 8.749 3.570 -1.725 1.00 0.00 C ATOM 1564 C ARG A 100 9.575 3.883 -0.458 1.00 0.00 C ATOM 1565 O ARG A 100 10.696 4.378 -0.549 1.00 0.00 O ATOM 1566 CB ARG A 100 7.967 4.819 -2.212 1.00 0.00 C ATOM 1567 CG ARG A 100 8.760 6.133 -2.309 1.00 0.00 C ATOM 1568 CD ARG A 100 9.962 6.031 -3.238 1.00 0.00 C ATOM 1569 NE ARG A 100 10.681 7.312 -3.337 1.00 0.00 N ATOM 1570 CZ ARG A 100 11.945 7.459 -3.764 1.00 0.00 C ATOM 1571 NH1 ARG A 100 12.732 6.411 -3.896 1.00 0.00 N ATOM 1572 NH2 ARG A 100 12.445 8.662 -3.983 1.00 0.00 N ATOM 0 H ARG A 100 6.847 2.663 -1.774 1.00 0.00 H new ATOM 0 HA ARG A 100 9.471 3.279 -2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 100 7.551 4.599 -3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.125 4.978 -1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.100 6.925 -2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 100 9.099 6.421 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 100 10.640 5.260 -2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.631 5.721 -4.229 1.00 0.00 H new ATOM 0 HE ARG A 100 10.179 8.155 -3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.382 5.479 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.691 6.531 -4.221 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.869 9.490 -3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 100 13.407 8.763 -4.307 1.00 0.00 H new ATOM 1586 N THR A 101 9.036 3.561 0.698 1.00 0.00 N ATOM 1587 CA THR A 101 9.698 3.794 1.972 1.00 0.00 C ATOM 1588 C THR A 101 11.079 3.087 2.057 1.00 0.00 C ATOM 1589 O THR A 101 12.001 3.575 2.741 1.00 0.00 O ATOM 1590 CB THR A 101 8.785 3.320 3.108 1.00 0.00 C ATOM 1591 OG1 THR A 101 7.474 3.849 2.872 1.00 0.00 O ATOM 1592 CG2 THR A 101 9.280 3.821 4.461 1.00 0.00 C ATOM 0 H THR A 101 8.118 3.126 0.785 1.00 0.00 H new ATOM 0 HA THR A 101 9.886 4.864 2.065 1.00 0.00 H new ATOM 0 HB THR A 101 8.779 2.230 3.128 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.912 3.694 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.612 3.468 5.246 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.286 3.442 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.297 4.911 4.461 1.00 0.00 H new ATOM 1600 N SER A 102 11.243 1.977 1.352 1.00 0.00 N ATOM 1601 CA SER A 102 12.498 1.283 1.387 1.00 0.00 C ATOM 1602 C SER A 102 13.070 1.051 -0.005 1.00 0.00 C ATOM 1603 O SER A 102 14.087 0.360 -0.169 1.00 0.00 O ATOM 1604 CB SER A 102 12.362 -0.001 2.215 1.00 0.00 C ATOM 1605 OG SER A 102 11.208 -0.743 1.844 1.00 0.00 O ATOM 0 H SER A 102 10.528 1.552 0.761 1.00 0.00 H new ATOM 0 HA SER A 102 13.233 1.915 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.251 -0.618 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.308 0.252 3.274 1.00 0.00 H new ATOM 0 HG SER A 102 11.152 -1.555 2.389 1.00 0.00 H new ATOM 1611 N LEU A 103 12.467 1.690 -0.990 1.00 0.00 N ATOM 1612 CA LEU A 103 12.891 1.536 -2.339 1.00 0.00 C ATOM 1613 C LEU A 103 13.501 2.855 -2.817 1.00 0.00 C ATOM 1614 O LEU A 103 12.854 3.896 -2.757 1.00 0.00 O ATOM 1615 CB LEU A 103 11.679 1.179 -3.170 1.00 0.00 C ATOM 1616 CG LEU A 103 11.935 0.318 -4.374 1.00 0.00 C ATOM 1617 CD1 LEU A 103 12.513 -1.008 -3.920 1.00 0.00 C ATOM 1618 CD2 LEU A 103 10.648 0.098 -5.120 1.00 0.00 C ATOM 0 H LEU A 103 11.677 2.322 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 103 13.641 0.750 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.961 0.667 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.207 2.103 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 103 12.644 0.810 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 103 12.702 -1.639 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 103 13.448 -0.834 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.805 -1.506 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.836 -0.527 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.929 -0.397 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.245 1.058 -5.441 1.00 0.00 H new ATOM 1630 N CYS A 104 14.696 2.787 -3.355 1.00 0.00 N ATOM 1631 CA CYS A 104 15.467 3.963 -3.698 1.00 0.00 C ATOM 1632 C CYS A 104 15.322 4.329 -5.164 1.00 0.00 C ATOM 1633 O CYS A 104 14.843 5.422 -5.486 1.00 0.00 O ATOM 1634 CB CYS A 104 16.929 3.734 -3.341 1.00 0.00 C ATOM 1635 SG CYS A 104 17.166 3.098 -1.674 1.00 0.00 S ATOM 0 H CYS A 104 15.166 1.908 -3.569 1.00 0.00 H new ATOM 0 HA CYS A 104 15.080 4.804 -3.122 1.00 0.00 H new ATOM 0 HB2 CYS A 104 17.364 3.034 -4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 104 17.472 4.673 -3.444 1.00 0.00 H new ATOM 0 HG CYS A 104 18.387 2.672 -1.542 1.00 0.00 H new