USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 405 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 45 ASN : amide:sc= -2.56! C(o=-2.5!,f=-5.8!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0.0303 USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= 1.19 (180deg=0.327) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0476 F(o=-1.9!,f=-0.048) USER MOD Single : A 19 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.86) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0131 F(o=-1.1,f=-0.013) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 0.553 (180deg=0.289) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.1) USER MOD Single : A 47 MET CE :methyl 160:sc= -0.135 (180deg=-0.637) USER MOD Single : A 48 ASN : amide:sc= 0.676 K(o=0.68,f=-5.5!) USER MOD Single : A 49 LYS NZ :NH3+ -136:sc= 0.193 (180deg=-0.254) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 88:sc= 0.584 USER MOD Single : A 56 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N VAL A 8 8.008 -6.028 -0.834 1.00 0.00 N ATOM 93 CA VAL A 8 6.844 -5.660 -0.060 1.00 0.00 C ATOM 94 C VAL A 8 7.152 -4.521 0.896 1.00 0.00 C ATOM 95 O VAL A 8 8.189 -4.502 1.559 1.00 0.00 O ATOM 96 CB VAL A 8 6.294 -6.878 0.719 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.264 -6.457 1.750 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.686 -7.870 -0.251 1.00 0.00 C ATOM 0 HA VAL A 8 6.081 -5.318 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 8 7.123 -7.347 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.898 -7.337 2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.721 -5.770 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.431 -5.961 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.299 -8.727 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.873 -7.393 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.448 -8.205 -0.955 1.00 0.00 H new ATOM 108 N VAL A 9 6.245 -3.568 0.929 1.00 0.00 N ATOM 109 CA VAL A 9 6.311 -2.450 1.848 1.00 0.00 C ATOM 110 C VAL A 9 5.273 -2.661 2.945 1.00 0.00 C ATOM 111 O VAL A 9 4.499 -3.616 2.888 1.00 0.00 O ATOM 112 CB VAL A 9 6.029 -1.127 1.118 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.201 -0.763 0.222 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.745 -1.240 0.307 1.00 0.00 C ATOM 0 H VAL A 9 5.433 -3.547 0.313 1.00 0.00 H new ATOM 0 HA VAL A 9 7.312 -2.396 2.277 1.00 0.00 H new ATOM 0 HB VAL A 9 5.902 -0.335 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.990 0.176 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.101 -0.652 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.354 -1.551 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.555 -0.297 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.848 -2.039 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.912 -1.465 0.973 1.00 0.00 H new ATOM 124 N VAL A 10 5.229 -1.781 3.924 1.00 0.00 N ATOM 125 CA VAL A 10 4.283 -1.935 5.023 1.00 0.00 C ATOM 126 C VAL A 10 3.550 -0.618 5.279 1.00 0.00 C ATOM 127 O VAL A 10 4.042 0.452 4.932 1.00 0.00 O ATOM 128 CB VAL A 10 4.998 -2.409 6.318 1.00 0.00 C ATOM 129 CG1 VAL A 10 5.979 -1.355 6.820 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.997 -2.779 7.409 1.00 0.00 C ATOM 0 H VAL A 10 5.828 -0.958 3.987 1.00 0.00 H new ATOM 0 HA VAL A 10 3.558 -2.697 4.738 1.00 0.00 H new ATOM 0 HB VAL A 10 5.562 -3.308 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.465 -1.713 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.732 -1.166 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.442 -0.432 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.534 -3.106 8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.386 -1.910 7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.355 -3.586 7.056 1.00 0.00 H new ATOM 140 N ALA A 11 2.365 -0.704 5.854 1.00 0.00 N ATOM 141 CA ALA A 11 1.573 0.468 6.158 1.00 0.00 C ATOM 142 C ALA A 11 1.739 0.885 7.612 1.00 0.00 C ATOM 143 O ALA A 11 1.908 0.047 8.495 1.00 0.00 O ATOM 144 CB ALA A 11 0.117 0.194 5.854 1.00 0.00 C ATOM 0 H ALA A 11 1.928 -1.586 6.122 1.00 0.00 H new ATOM 0 HA ALA A 11 1.924 1.290 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.476 1.079 6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.006 -0.052 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.230 -0.643 6.460 1.00 0.00 H new ATOM 150 N LYS A 12 1.685 2.185 7.851 1.00 0.00 N ATOM 151 CA LYS A 12 1.859 2.733 9.184 1.00 0.00 C ATOM 152 C LYS A 12 0.510 2.837 9.891 1.00 0.00 C ATOM 153 O LYS A 12 0.377 2.448 11.051 1.00 0.00 O ATOM 154 CB LYS A 12 2.531 4.106 9.092 1.00 0.00 C ATOM 155 CG LYS A 12 2.853 4.743 10.436 1.00 0.00 C ATOM 156 CD LYS A 12 3.606 6.054 10.254 1.00 0.00 C ATOM 157 CE LYS A 12 4.918 5.826 9.524 1.00 0.00 C ATOM 158 NZ LYS A 12 5.612 7.094 9.175 1.00 0.00 N ATOM 0 H LYS A 12 1.520 2.887 7.129 1.00 0.00 H new ATOM 0 HA LYS A 12 2.498 2.069 9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.454 4.007 8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.880 4.778 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.930 4.923 10.987 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.452 4.056 11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.990 6.757 9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.800 6.505 11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.574 5.218 10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.728 5.259 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.270 6.924 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.910 7.807 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.142 7.438 10.001 1.00 0.00 H new ATOM 172 N PHE A 13 -0.489 3.347 9.177 1.00 0.00 N ATOM 173 CA PHE A 13 -1.832 3.499 9.726 1.00 0.00 C ATOM 174 C PHE A 13 -2.877 3.066 8.707 1.00 0.00 C ATOM 175 O PHE A 13 -2.559 2.846 7.543 1.00 0.00 O ATOM 176 CB PHE A 13 -2.098 4.952 10.139 1.00 0.00 C ATOM 177 CG PHE A 13 -1.225 5.445 11.258 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.321 4.897 12.529 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.310 6.459 11.039 1.00 0.00 C ATOM 180 CE1 PHE A 13 -0.515 5.350 13.556 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.498 6.916 12.061 1.00 0.00 C ATOM 182 CZ PHE A 13 0.396 6.360 13.322 1.00 0.00 C ATOM 0 H PHE A 13 -0.393 3.663 8.212 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.901 2.864 10.609 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.955 5.596 9.271 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.142 5.047 10.439 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.034 4.108 12.718 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.227 6.899 10.056 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.598 4.914 14.541 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.209 7.707 11.875 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.028 6.715 14.123 1.00 0.00 H new ATOM 192 N ASP A 14 -4.119 2.940 9.159 1.00 0.00 N ATOM 193 CA ASP A 14 -5.224 2.554 8.291 1.00 0.00 C ATOM 194 C ASP A 14 -5.559 3.652 7.290 1.00 0.00 C ATOM 195 O ASP A 14 -5.671 4.827 7.650 1.00 0.00 O ATOM 196 CB ASP A 14 -6.479 2.246 9.107 1.00 0.00 C ATOM 197 CG ASP A 14 -6.289 1.134 10.113 1.00 0.00 C ATOM 198 OD1 ASP A 14 -6.170 -0.036 9.698 1.00 0.00 O ATOM 199 OD2 ASP A 14 -6.266 1.424 11.326 1.00 0.00 O ATOM 0 H ASP A 14 -4.387 3.101 10.130 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.902 1.662 7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.792 3.149 9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.287 1.975 8.427 1.00 0.00 H new ATOM 204 N TYR A 15 -5.726 3.256 6.037 1.00 0.00 N ATOM 205 CA TYR A 15 -6.217 4.149 5.002 1.00 0.00 C ATOM 206 C TYR A 15 -7.266 3.430 4.165 1.00 0.00 C ATOM 207 O TYR A 15 -6.955 2.490 3.430 1.00 0.00 O ATOM 208 CB TYR A 15 -5.072 4.653 4.114 1.00 0.00 C ATOM 209 CG TYR A 15 -5.529 5.161 2.758 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.445 6.203 2.649 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.045 4.592 1.586 1.00 0.00 C ATOM 212 CE1 TYR A 15 -6.864 6.660 1.411 1.00 0.00 C ATOM 213 CE2 TYR A 15 -5.460 5.046 0.347 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.370 6.078 0.265 1.00 0.00 C ATOM 215 OH TYR A 15 -6.778 6.536 -0.968 1.00 0.00 O ATOM 0 H TYR A 15 -5.526 2.310 5.711 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.670 5.018 5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.546 5.454 4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.356 3.845 3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.835 6.663 3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.333 3.782 1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.575 7.470 1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.072 4.593 -0.553 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.334 6.019 -1.672 1.00 0.00 H new ATOM 225 N VAL A 16 -8.505 3.872 4.290 1.00 0.00 N ATOM 226 CA VAL A 16 -9.601 3.273 3.553 1.00 0.00 C ATOM 227 C VAL A 16 -9.850 4.037 2.266 1.00 0.00 C ATOM 228 O VAL A 16 -10.044 5.254 2.285 1.00 0.00 O ATOM 229 CB VAL A 16 -10.907 3.244 4.373 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.003 2.506 3.616 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.676 2.612 5.735 1.00 0.00 C ATOM 0 H VAL A 16 -8.777 4.646 4.897 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.309 2.246 3.334 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.233 4.273 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.915 2.498 4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.194 3.010 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.686 1.481 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.611 2.603 6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.320 1.590 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.931 3.189 6.282 1.00 0.00 H new ATOM 241 N ALA A 17 -9.852 3.318 1.159 1.00 0.00 N ATOM 242 CA ALA A 17 -10.083 3.920 -0.135 1.00 0.00 C ATOM 243 C ALA A 17 -11.574 3.967 -0.412 1.00 0.00 C ATOM 244 O ALA A 17 -12.278 2.974 -0.226 1.00 0.00 O ATOM 245 CB ALA A 17 -9.353 3.146 -1.222 1.00 0.00 C ATOM 0 H ALA A 17 -9.695 2.310 1.134 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.693 4.938 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.539 3.614 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.283 3.151 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.714 2.118 -1.241 1.00 0.00 H new ATOM 251 N GLN A 18 -12.058 5.123 -0.834 1.00 0.00 N ATOM 252 CA GLN A 18 -13.481 5.317 -1.045 1.00 0.00 C ATOM 253 C GLN A 18 -14.016 4.378 -2.125 1.00 0.00 C ATOM 254 O GLN A 18 -15.117 3.838 -2.008 1.00 0.00 O ATOM 255 CB GLN A 18 -13.761 6.769 -1.410 1.00 0.00 C ATOM 256 CG GLN A 18 -15.221 7.064 -1.686 1.00 0.00 C ATOM 257 CD GLN A 18 -15.430 8.493 -2.121 1.00 0.00 C ATOM 258 OE1 GLN A 18 -14.393 9.072 -2.690 1.00 0.00 O flip ATOM 259 NE2 GLN A 18 -16.496 9.075 -1.921 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.485 5.942 -1.037 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.999 5.079 -0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.419 7.410 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.175 7.031 -2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.588 6.391 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.808 6.867 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.270 8.582 -1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.605 10.050 -2.200 1.00 0.00 H new ATOM 268 N GLN A 19 -13.224 4.180 -3.169 1.00 0.00 N ATOM 269 CA GLN A 19 -13.598 3.293 -4.261 1.00 0.00 C ATOM 270 C GLN A 19 -12.465 2.317 -4.548 1.00 0.00 C ATOM 271 O GLN A 19 -11.303 2.606 -4.257 1.00 0.00 O ATOM 272 CB GLN A 19 -13.933 4.099 -5.518 1.00 0.00 C ATOM 273 CG GLN A 19 -15.222 4.900 -5.412 1.00 0.00 C ATOM 274 CD GLN A 19 -16.440 4.020 -5.190 1.00 0.00 C ATOM 275 OE1 GLN A 19 -16.470 2.864 -5.615 1.00 0.00 O ATOM 276 NE2 GLN A 19 -17.455 4.560 -4.532 1.00 0.00 N ATOM 0 H GLN A 19 -12.313 4.625 -3.283 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.485 2.732 -3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.110 4.781 -5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.009 3.417 -6.365 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.137 5.611 -4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.360 5.482 -6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.391 5.521 -4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.300 4.015 -4.361 1.00 0.00 H new ATOM 285 N GLU A 20 -12.801 1.175 -5.143 1.00 0.00 N ATOM 286 CA GLU A 20 -11.818 0.124 -5.412 1.00 0.00 C ATOM 287 C GLU A 20 -10.850 0.519 -6.525 1.00 0.00 C ATOM 288 O GLU A 20 -9.935 -0.235 -6.850 1.00 0.00 O ATOM 289 CB GLU A 20 -12.511 -1.189 -5.776 1.00 0.00 C ATOM 290 CG GLU A 20 -13.405 -1.729 -4.674 1.00 0.00 C ATOM 291 CD GLU A 20 -13.878 -3.135 -4.960 1.00 0.00 C ATOM 292 OE1 GLU A 20 -14.725 -3.317 -5.854 1.00 0.00 O ATOM 293 OE2 GLU A 20 -13.395 -4.073 -4.295 1.00 0.00 O ATOM 0 H GLU A 20 -13.748 0.952 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.244 -0.014 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.108 -1.038 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.754 -1.935 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.862 -1.715 -3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.268 -1.074 -4.555 1.00 0.00 H new ATOM 300 N GLN A 21 -11.063 1.688 -7.118 1.00 0.00 N ATOM 301 CA GLN A 21 -10.155 2.211 -8.134 1.00 0.00 C ATOM 302 C GLN A 21 -8.852 2.677 -7.495 1.00 0.00 C ATOM 303 O GLN A 21 -7.839 2.853 -8.171 1.00 0.00 O ATOM 304 CB GLN A 21 -10.812 3.365 -8.891 1.00 0.00 C ATOM 305 CG GLN A 21 -11.300 4.488 -7.992 1.00 0.00 C ATOM 306 CD GLN A 21 -11.975 5.605 -8.764 1.00 0.00 C ATOM 307 OE1 GLN A 21 -12.605 5.261 -9.876 1.00 0.00 O flip ATOM 308 NE2 GLN A 21 -11.932 6.765 -8.362 1.00 0.00 N flip ATOM 0 H GLN A 21 -11.858 2.293 -6.913 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.931 1.411 -8.840 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.098 3.770 -9.608 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.655 2.978 -9.464 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.999 4.084 -7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.456 4.895 -7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.435 6.988 -7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.393 7.505 -8.891 1.00 0.00 H new ATOM 317 N GLU A 22 -8.898 2.876 -6.187 1.00 0.00 N ATOM 318 CA GLU A 22 -7.728 3.252 -5.416 1.00 0.00 C ATOM 319 C GLU A 22 -7.280 2.077 -4.563 1.00 0.00 C ATOM 320 O GLU A 22 -7.872 0.997 -4.625 1.00 0.00 O ATOM 321 CB GLU A 22 -8.030 4.466 -4.536 1.00 0.00 C ATOM 322 CG GLU A 22 -8.150 5.761 -5.316 1.00 0.00 C ATOM 323 CD GLU A 22 -6.929 6.030 -6.175 1.00 0.00 C ATOM 324 OE1 GLU A 22 -5.798 5.890 -5.669 1.00 0.00 O ATOM 325 OE2 GLU A 22 -7.094 6.395 -7.358 1.00 0.00 O ATOM 0 H GLU A 22 -9.748 2.781 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.925 3.522 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.959 4.290 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.241 4.571 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.036 5.720 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.293 6.589 -4.622 1.00 0.00 H new ATOM 332 N LEU A 23 -6.246 2.277 -3.767 1.00 0.00 N ATOM 333 CA LEU A 23 -5.695 1.188 -2.983 1.00 0.00 C ATOM 334 C LEU A 23 -6.133 1.313 -1.526 1.00 0.00 C ATOM 335 O LEU A 23 -5.975 2.363 -0.910 1.00 0.00 O ATOM 336 CB LEU A 23 -4.165 1.199 -3.084 1.00 0.00 C ATOM 337 CG LEU A 23 -3.482 -0.165 -2.915 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.480 -0.619 -1.465 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.172 -1.203 -3.773 1.00 0.00 C ATOM 0 H LEU A 23 -5.775 3.174 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.068 0.242 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.885 1.608 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.773 1.878 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.446 -0.054 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.988 -1.588 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.944 0.109 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.507 -0.704 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.679 -2.167 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.217 -1.287 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.118 -0.904 -4.820 1.00 0.00 H new ATOM 351 N ASP A 24 -6.683 0.233 -0.984 1.00 0.00 N ATOM 352 CA ASP A 24 -7.088 0.191 0.417 1.00 0.00 C ATOM 353 C ASP A 24 -6.002 -0.468 1.248 1.00 0.00 C ATOM 354 O ASP A 24 -5.606 -1.605 0.981 1.00 0.00 O ATOM 355 CB ASP A 24 -8.401 -0.568 0.572 1.00 0.00 C ATOM 356 CG ASP A 24 -8.799 -0.769 2.026 1.00 0.00 C ATOM 357 OD1 ASP A 24 -9.132 0.225 2.699 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.778 -1.927 2.506 1.00 0.00 O ATOM 0 H ASP A 24 -6.860 -0.631 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.237 1.212 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.192 -0.025 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.313 -1.540 0.087 1.00 0.00 H new ATOM 363 N ILE A 25 -5.494 0.250 2.234 1.00 0.00 N ATOM 364 CA ILE A 25 -4.440 -0.286 3.077 1.00 0.00 C ATOM 365 C ILE A 25 -4.882 -0.307 4.533 1.00 0.00 C ATOM 366 O ILE A 25 -5.841 0.363 4.912 1.00 0.00 O ATOM 367 CB ILE A 25 -3.111 0.500 2.944 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.215 1.902 3.539 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.694 0.594 1.492 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.194 2.156 4.621 1.00 0.00 C ATOM 0 H ILE A 25 -5.791 1.197 2.469 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.253 -1.304 2.734 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.356 -0.050 3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.088 2.639 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.215 2.044 3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.759 1.149 1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.554 -0.409 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.468 1.109 0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.316 3.168 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.336 1.440 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.191 2.043 4.209 1.00 0.00 H new ATOM 382 N LYS A 26 -4.189 -1.078 5.348 1.00 0.00 N ATOM 383 CA LYS A 26 -4.558 -1.203 6.743 1.00 0.00 C ATOM 384 C LYS A 26 -3.347 -0.970 7.623 1.00 0.00 C ATOM 385 O LYS A 26 -2.214 -1.160 7.185 1.00 0.00 O ATOM 386 CB LYS A 26 -5.157 -2.584 7.016 1.00 0.00 C ATOM 387 CG LYS A 26 -6.399 -2.537 7.893 1.00 0.00 C ATOM 388 CD LYS A 26 -7.483 -1.675 7.254 1.00 0.00 C ATOM 389 CE LYS A 26 -7.865 -2.176 5.865 1.00 0.00 C ATOM 390 NZ LYS A 26 -8.664 -1.170 5.112 1.00 0.00 N ATOM 0 H LYS A 26 -3.373 -1.624 5.070 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.311 -0.450 6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.408 -3.058 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.405 -3.210 7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.777 -3.547 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.142 -2.137 8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.366 -1.670 7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.133 -0.645 7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.961 -2.415 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.437 -3.099 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.074 -1.615 4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.428 -0.809 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.049 -0.382 4.825 1.00 0.00 H new ATOM 404 N LYS A 27 -3.596 -0.546 8.847 1.00 0.00 N ATOM 405 CA LYS A 27 -2.541 -0.288 9.808 1.00 0.00 C ATOM 406 C LYS A 27 -1.652 -1.514 9.994 1.00 0.00 C ATOM 407 O LYS A 27 -2.140 -2.604 10.297 1.00 0.00 O ATOM 408 CB LYS A 27 -3.160 0.121 11.139 1.00 0.00 C ATOM 409 CG LYS A 27 -2.162 0.220 12.278 1.00 0.00 C ATOM 410 CD LYS A 27 -2.847 0.591 13.579 1.00 0.00 C ATOM 411 CE LYS A 27 -1.857 0.685 14.726 1.00 0.00 C ATOM 412 NZ LYS A 27 -2.536 0.982 16.016 1.00 0.00 N ATOM 0 H LYS A 27 -4.536 -0.371 9.203 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.916 0.521 9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.654 1.085 11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.931 -0.601 11.407 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.645 -0.732 12.395 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.405 0.966 12.037 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.360 1.546 13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.608 -0.153 13.815 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.308 -0.253 14.811 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.125 1.464 14.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.828 1.039 16.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.039 1.889 15.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.216 0.226 16.232 1.00 0.00 H new ATOM 426 N ASN A 28 -0.350 -1.320 9.783 1.00 0.00 N ATOM 427 CA ASN A 28 0.655 -2.368 9.987 1.00 0.00 C ATOM 428 C ASN A 28 0.448 -3.528 9.003 1.00 0.00 C ATOM 429 O ASN A 28 0.875 -4.658 9.250 1.00 0.00 O ATOM 430 CB ASN A 28 0.604 -2.865 11.440 1.00 0.00 C ATOM 431 CG ASN A 28 1.826 -3.670 11.854 1.00 0.00 C ATOM 432 OD1 ASN A 28 2.933 -3.461 11.352 1.00 0.00 O ATOM 433 ND2 ASN A 28 1.630 -4.591 12.784 1.00 0.00 N ATOM 0 H ASN A 28 0.040 -0.432 9.466 1.00 0.00 H new ATOM 0 HA ASN A 28 1.642 -1.947 9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.503 -2.007 12.105 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.287 -3.479 11.574 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.411 -5.160 13.111 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.698 -4.732 13.174 1.00 0.00 H new ATOM 440 N GLU A 29 -0.197 -3.236 7.878 1.00 0.00 N ATOM 441 CA GLU A 29 -0.439 -4.241 6.853 1.00 0.00 C ATOM 442 C GLU A 29 0.582 -4.095 5.732 1.00 0.00 C ATOM 443 O GLU A 29 1.132 -3.019 5.526 1.00 0.00 O ATOM 444 CB GLU A 29 -1.861 -4.110 6.305 1.00 0.00 C ATOM 445 CG GLU A 29 -2.253 -5.234 5.367 1.00 0.00 C ATOM 446 CD GLU A 29 -2.124 -6.596 6.016 1.00 0.00 C ATOM 447 OE1 GLU A 29 -3.099 -7.043 6.656 1.00 0.00 O ATOM 448 OE2 GLU A 29 -1.045 -7.217 5.889 1.00 0.00 O ATOM 0 H GLU A 29 -0.561 -2.310 7.654 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.333 -5.231 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.562 -4.082 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.953 -3.160 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.282 -5.087 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.625 -5.197 4.477 1.00 0.00 H new ATOM 455 N ARG A 30 0.834 -5.175 5.016 1.00 0.00 N ATOM 456 CA ARG A 30 1.844 -5.178 3.969 1.00 0.00 C ATOM 457 C ARG A 30 1.227 -4.851 2.611 1.00 0.00 C ATOM 458 O ARG A 30 0.111 -5.280 2.305 1.00 0.00 O ATOM 459 CB ARG A 30 2.510 -6.550 3.917 1.00 0.00 C ATOM 460 CG ARG A 30 1.614 -7.620 3.327 1.00 0.00 C ATOM 461 CD ARG A 30 1.704 -8.925 4.098 1.00 0.00 C ATOM 462 NE ARG A 30 0.960 -8.856 5.355 1.00 0.00 N ATOM 463 CZ ARG A 30 1.236 -9.578 6.436 1.00 0.00 C ATOM 464 NH1 ARG A 30 2.268 -10.416 6.440 1.00 0.00 N ATOM 465 NH2 ARG A 30 0.479 -9.443 7.518 1.00 0.00 N ATOM 0 H ARG A 30 0.352 -6.066 5.140 1.00 0.00 H new ATOM 0 HA ARG A 30 2.586 -4.413 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.424 -6.482 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.803 -6.844 4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.582 -7.269 3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.892 -7.793 2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.313 -9.738 3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.749 -9.156 4.305 1.00 0.00 H new ATOM 0 HE ARG A 30 0.174 -8.208 5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.854 -10.508 5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.474 -10.967 7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.305 -8.790 7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.681 -9.992 8.354 1.00 0.00 H new ATOM 479 N LEU A 31 1.948 -4.082 1.808 1.00 0.00 N ATOM 480 CA LEU A 31 1.522 -3.777 0.447 1.00 0.00 C ATOM 481 C LEU A 31 2.662 -4.066 -0.523 1.00 0.00 C ATOM 482 O LEU A 31 3.802 -4.263 -0.115 1.00 0.00 O ATOM 483 CB LEU A 31 1.099 -2.308 0.279 1.00 0.00 C ATOM 484 CG LEU A 31 -0.125 -1.836 1.075 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.229 -2.880 1.055 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.256 -1.458 2.499 1.00 0.00 C ATOM 0 H LEU A 31 2.835 -3.655 2.076 1.00 0.00 H new ATOM 0 HA LEU A 31 0.657 -4.406 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.945 -1.679 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.903 -2.132 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.511 -0.940 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.083 -2.517 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.535 -3.067 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.862 -3.806 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.632 -1.128 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.685 -2.324 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.988 -0.651 2.478 1.00 0.00 H new ATOM 498 N TRP A 32 2.355 -4.078 -1.804 1.00 0.00 N ATOM 499 CA TRP A 32 3.382 -4.211 -2.828 1.00 0.00 C ATOM 500 C TRP A 32 3.604 -2.868 -3.500 1.00 0.00 C ATOM 501 O TRP A 32 2.676 -2.287 -4.058 1.00 0.00 O ATOM 502 CB TRP A 32 2.998 -5.268 -3.871 1.00 0.00 C ATOM 503 CG TRP A 32 3.192 -6.679 -3.409 1.00 0.00 C ATOM 504 CD1 TRP A 32 4.261 -7.478 -3.687 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.303 -7.463 -2.604 1.00 0.00 C ATOM 506 NE1 TRP A 32 4.096 -8.710 -3.104 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.903 -8.726 -2.431 1.00 0.00 C ATOM 508 CE3 TRP A 32 1.062 -7.222 -2.010 1.00 0.00 C ATOM 509 CZ2 TRP A 32 2.303 -9.741 -1.691 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.470 -8.231 -1.275 1.00 0.00 C ATOM 511 CH2 TRP A 32 1.091 -9.475 -1.121 1.00 0.00 C ATOM 0 H TRP A 32 1.404 -3.998 -2.165 1.00 0.00 H new ATOM 0 HA TRP A 32 4.305 -4.538 -2.349 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.953 -5.128 -4.148 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.591 -5.107 -4.772 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.114 -7.184 -4.280 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.754 -9.487 -3.162 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.574 -6.265 -2.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.779 -10.703 -1.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.489 -8.056 -0.811 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.601 -10.242 -0.539 1.00 0.00 H new ATOM 522 N LEU A 33 4.827 -2.366 -3.427 1.00 0.00 N ATOM 523 CA LEU A 33 5.139 -1.048 -3.962 1.00 0.00 C ATOM 524 C LEU A 33 5.692 -1.145 -5.372 1.00 0.00 C ATOM 525 O LEU A 33 6.684 -1.832 -5.618 1.00 0.00 O ATOM 526 CB LEU A 33 6.135 -0.319 -3.057 1.00 0.00 C ATOM 527 CG LEU A 33 6.498 1.102 -3.498 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.246 1.945 -3.645 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.446 1.739 -2.497 1.00 0.00 C ATOM 0 H LEU A 33 5.619 -2.850 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 33 4.211 -0.477 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.721 -0.275 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.049 -0.909 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 33 6.997 1.048 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.520 2.952 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.592 1.497 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.725 1.992 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.695 2.749 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.967 1.782 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.357 1.144 -2.429 1.00 0.00 H new ATOM 541 N LEU A 34 5.044 -0.449 -6.289 1.00 0.00 N ATOM 542 CA LEU A 34 5.486 -0.420 -7.671 1.00 0.00 C ATOM 543 C LEU A 34 6.210 0.888 -7.961 1.00 0.00 C ATOM 544 O LEU A 34 7.333 0.891 -8.464 1.00 0.00 O ATOM 545 CB LEU A 34 4.304 -0.587 -8.637 1.00 0.00 C ATOM 546 CG LEU A 34 3.482 -1.874 -8.478 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.390 -3.069 -8.223 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.447 -1.728 -7.370 1.00 0.00 C ATOM 0 H LEU A 34 4.208 0.105 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 34 6.170 -1.255 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.636 0.265 -8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.686 -0.547 -9.657 1.00 0.00 H new ATOM 0 HG LEU A 34 2.948 -2.050 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.785 -3.969 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.074 -3.192 -9.062 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.962 -2.903 -7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.879 -2.654 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.951 -1.517 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.770 -0.909 -7.611 1.00 0.00 H new ATOM 560 N ASP A 35 5.568 1.997 -7.612 1.00 0.00 N ATOM 561 CA ASP A 35 6.115 3.320 -7.901 1.00 0.00 C ATOM 562 C ASP A 35 6.166 4.190 -6.653 1.00 0.00 C ATOM 563 O ASP A 35 5.172 4.320 -5.935 1.00 0.00 O ATOM 564 CB ASP A 35 5.284 4.030 -8.975 1.00 0.00 C ATOM 565 CG ASP A 35 5.479 3.446 -10.358 1.00 0.00 C ATOM 566 OD1 ASP A 35 4.955 2.345 -10.623 1.00 0.00 O ATOM 567 OD2 ASP A 35 6.150 4.090 -11.191 1.00 0.00 O ATOM 0 H ASP A 35 4.670 2.008 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 35 7.131 3.172 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.229 3.971 -8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.550 5.087 -8.992 1.00 0.00 H new ATOM 628 N TRP A 40 1.928 10.617 -3.281 1.00 0.00 N ATOM 629 CA TRP A 40 1.020 9.471 -3.371 1.00 0.00 C ATOM 630 C TRP A 40 1.678 8.326 -4.138 1.00 0.00 C ATOM 631 O TRP A 40 1.948 8.435 -5.335 1.00 0.00 O ATOM 632 CB TRP A 40 -0.320 9.858 -4.013 1.00 0.00 C ATOM 633 CG TRP A 40 -1.124 10.827 -3.196 1.00 0.00 C ATOM 634 CD1 TRP A 40 -0.889 12.161 -3.040 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.300 10.535 -2.435 1.00 0.00 C ATOM 636 NE1 TRP A 40 -1.839 12.717 -2.220 1.00 0.00 N ATOM 637 CE2 TRP A 40 -2.721 11.739 -1.838 1.00 0.00 C ATOM 638 CE3 TRP A 40 -3.040 9.374 -2.201 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -3.845 11.812 -1.018 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.155 9.447 -1.388 1.00 0.00 C ATOM 641 CH2 TRP A 40 -4.550 10.658 -0.807 1.00 0.00 C ATOM 0 HA TRP A 40 0.810 9.135 -2.356 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.130 10.294 -4.994 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.910 8.955 -4.174 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.073 12.702 -3.496 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.882 13.697 -1.941 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.746 8.436 -2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.149 12.745 -0.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.732 8.554 -1.197 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.429 10.682 -0.180 1.00 0.00 H new ATOM 652 N TRP A 41 1.945 7.235 -3.436 1.00 0.00 N ATOM 653 CA TRP A 41 2.627 6.091 -4.030 1.00 0.00 C ATOM 654 C TRP A 41 1.623 5.112 -4.615 1.00 0.00 C ATOM 655 O TRP A 41 0.520 4.960 -4.090 1.00 0.00 O ATOM 656 CB TRP A 41 3.495 5.375 -2.989 1.00 0.00 C ATOM 657 CG TRP A 41 4.612 6.217 -2.445 1.00 0.00 C ATOM 658 CD1 TRP A 41 5.238 7.253 -3.072 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.243 6.085 -1.165 1.00 0.00 C ATOM 660 NE1 TRP A 41 6.214 7.776 -2.259 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.237 7.077 -1.085 1.00 0.00 C ATOM 662 CE3 TRP A 41 5.060 5.228 -0.076 1.00 0.00 C ATOM 663 CZ2 TRP A 41 7.046 7.231 0.037 1.00 0.00 C ATOM 664 CZ3 TRP A 41 5.863 5.382 1.036 1.00 0.00 C ATOM 665 CH2 TRP A 41 6.845 6.379 1.085 1.00 0.00 C ATOM 0 H TRP A 41 1.700 7.116 -2.453 1.00 0.00 H new ATOM 0 HA TRP A 41 3.268 6.464 -4.829 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.862 5.051 -2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.917 4.476 -3.438 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.001 7.610 -4.063 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.823 8.560 -2.494 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.303 4.458 -0.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.806 7.997 0.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.732 4.723 1.882 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.456 6.476 1.970 1.00 0.00 H new ATOM 676 N ARG A 42 2.006 4.455 -5.701 1.00 0.00 N ATOM 677 CA ARG A 42 1.145 3.462 -6.329 1.00 0.00 C ATOM 678 C ARG A 42 1.509 2.069 -5.835 1.00 0.00 C ATOM 679 O ARG A 42 2.608 1.566 -6.100 1.00 0.00 O ATOM 680 CB ARG A 42 1.251 3.525 -7.855 1.00 0.00 C ATOM 681 CG ARG A 42 0.318 2.557 -8.569 1.00 0.00 C ATOM 682 CD ARG A 42 0.383 2.707 -10.080 1.00 0.00 C ATOM 683 NE ARG A 42 1.694 2.331 -10.619 1.00 0.00 N ATOM 684 CZ ARG A 42 1.869 1.736 -11.802 1.00 0.00 C ATOM 685 NH1 ARG A 42 0.822 1.416 -12.552 1.00 0.00 N ATOM 686 NH2 ARG A 42 3.092 1.444 -12.224 1.00 0.00 N ATOM 0 H ARG A 42 2.904 4.591 -6.164 1.00 0.00 H new ATOM 0 HA ARG A 42 0.114 3.682 -6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.030 4.540 -8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.278 3.311 -8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.579 1.535 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.705 2.726 -8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.388 2.087 -10.538 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.164 3.740 -10.350 1.00 0.00 H new ATOM 0 HE ARG A 42 2.521 2.536 -10.058 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.122 1.624 -12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.961 0.962 -13.455 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.900 1.674 -11.645 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.225 0.990 -13.127 1.00 0.00 H new ATOM 700 N VAL A 43 0.586 1.462 -5.109 1.00 0.00 N ATOM 701 CA VAL A 43 0.806 0.150 -4.521 1.00 0.00 C ATOM 702 C VAL A 43 -0.305 -0.818 -4.894 1.00 0.00 C ATOM 703 O VAL A 43 -1.353 -0.418 -5.405 1.00 0.00 O ATOM 704 CB VAL A 43 0.898 0.222 -2.985 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.229 0.806 -2.550 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.246 1.043 -2.424 1.00 0.00 C ATOM 0 H VAL A 43 -0.332 1.861 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 43 1.754 -0.210 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 43 0.826 -0.792 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.270 0.847 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.040 0.179 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.334 1.812 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.166 1.084 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.201 2.054 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.194 0.583 -2.701 1.00 0.00 H new ATOM 716 N ARG A 44 -0.060 -2.091 -4.636 1.00 0.00 N ATOM 717 CA ARG A 44 -1.041 -3.133 -4.869 1.00 0.00 C ATOM 718 C ARG A 44 -1.106 -4.059 -3.664 1.00 0.00 C ATOM 719 O ARG A 44 -0.085 -4.545 -3.186 1.00 0.00 O ATOM 720 CB ARG A 44 -0.690 -3.908 -6.137 1.00 0.00 C ATOM 721 CG ARG A 44 -1.659 -5.032 -6.449 1.00 0.00 C ATOM 722 CD ARG A 44 -1.324 -5.700 -7.776 1.00 0.00 C ATOM 723 NE ARG A 44 -1.925 -7.023 -7.935 1.00 0.00 N ATOM 724 CZ ARG A 44 -2.244 -7.546 -9.124 1.00 0.00 C ATOM 725 NH1 ARG A 44 -2.125 -6.812 -10.225 1.00 0.00 N ATOM 726 NH2 ARG A 44 -2.703 -8.788 -9.209 1.00 0.00 N ATOM 0 H ARG A 44 0.825 -2.430 -4.259 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.023 -2.681 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.664 -3.217 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.313 -4.322 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.630 -5.772 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.675 -4.640 -6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.659 -5.058 -8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.241 -5.789 -7.865 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.110 -7.575 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.791 -5.850 -10.163 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.368 -7.210 -11.132 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.814 -9.349 -8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.945 -9.181 -10.119 1.00 0.00 H new ATOM 740 N ASN A 45 -2.306 -4.258 -3.151 1.00 0.00 N ATOM 741 CA ASN A 45 -2.524 -5.146 -2.014 1.00 0.00 C ATOM 742 C ASN A 45 -2.739 -6.573 -2.524 1.00 0.00 C ATOM 743 O ASN A 45 -2.821 -6.793 -3.734 1.00 0.00 O ATOM 744 CB ASN A 45 -3.738 -4.647 -1.208 1.00 0.00 C ATOM 745 CG ASN A 45 -4.117 -5.532 -0.032 1.00 0.00 C ATOM 746 OD1 ASN A 45 -4.973 -6.406 -0.158 1.00 0.00 O ATOM 747 ND2 ASN A 45 -3.478 -5.325 1.108 1.00 0.00 N ATOM 0 H ASN A 45 -3.154 -3.815 -3.504 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.655 -5.146 -1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.526 -3.644 -0.839 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.595 -4.566 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.689 -5.901 1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.774 -4.589 1.172 1.00 0.00 H new ATOM 754 N SER A 46 -2.848 -7.530 -1.614 1.00 0.00 N ATOM 755 CA SER A 46 -3.023 -8.930 -1.980 1.00 0.00 C ATOM 756 C SER A 46 -4.392 -9.165 -2.617 1.00 0.00 C ATOM 757 O SER A 46 -4.627 -10.193 -3.250 1.00 0.00 O ATOM 758 CB SER A 46 -2.838 -9.815 -0.746 1.00 0.00 C ATOM 759 OG SER A 46 -3.516 -9.275 0.377 1.00 0.00 O ATOM 0 H SER A 46 -2.818 -7.361 -0.608 1.00 0.00 H new ATOM 0 HA SER A 46 -2.267 -9.193 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.213 -10.817 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.776 -9.913 -0.521 1.00 0.00 H new ATOM 0 HG SER A 46 -3.383 -9.860 1.152 1.00 0.00 H new ATOM 765 N MET A 47 -5.289 -8.196 -2.454 1.00 0.00 N ATOM 766 CA MET A 47 -6.596 -8.236 -3.103 1.00 0.00 C ATOM 767 C MET A 47 -6.458 -7.898 -4.592 1.00 0.00 C ATOM 768 O MET A 47 -7.432 -7.928 -5.343 1.00 0.00 O ATOM 769 CB MET A 47 -7.547 -7.252 -2.408 1.00 0.00 C ATOM 770 CG MET A 47 -8.993 -7.338 -2.874 1.00 0.00 C ATOM 771 SD MET A 47 -9.752 -8.930 -2.499 1.00 0.00 S ATOM 772 CE MET A 47 -9.706 -8.923 -0.705 1.00 0.00 C ATOM 0 H MET A 47 -5.133 -7.370 -1.876 1.00 0.00 H new ATOM 0 HA MET A 47 -7.009 -9.241 -3.020 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.513 -7.431 -1.333 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.185 -6.237 -2.574 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.571 -6.544 -2.400 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.035 -7.165 -3.949 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.432 -9.639 -0.320 1.00 0.00 H new ATOM 0 HE2 MET A 47 -8.708 -9.200 -0.366 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.950 -7.926 -0.339 1.00 0.00 H new ATOM 782 N ASN A 48 -5.228 -7.573 -4.995 1.00 0.00 N ATOM 783 CA ASN A 48 -4.866 -7.321 -6.395 1.00 0.00 C ATOM 784 C ASN A 48 -5.448 -6.013 -6.900 1.00 0.00 C ATOM 785 O ASN A 48 -5.406 -5.727 -8.096 1.00 0.00 O ATOM 786 CB ASN A 48 -5.297 -8.465 -7.318 1.00 0.00 C ATOM 787 CG ASN A 48 -4.839 -9.824 -6.825 1.00 0.00 C ATOM 788 OD1 ASN A 48 -3.715 -10.251 -7.096 1.00 0.00 O ATOM 789 ND2 ASN A 48 -5.714 -10.514 -6.113 1.00 0.00 N ATOM 0 H ASN A 48 -4.443 -7.476 -4.351 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.778 -7.253 -6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.383 -8.464 -7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.895 -8.291 -8.316 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.470 -11.441 -5.763 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.633 -10.120 -5.913 1.00 0.00 H new ATOM 796 N LYS A 49 -5.996 -5.228 -5.986 1.00 0.00 N ATOM 797 CA LYS A 49 -6.440 -3.886 -6.311 1.00 0.00 C ATOM 798 C LYS A 49 -5.211 -3.001 -6.459 1.00 0.00 C ATOM 799 O LYS A 49 -4.163 -3.306 -5.889 1.00 0.00 O ATOM 800 CB LYS A 49 -7.348 -3.335 -5.204 1.00 0.00 C ATOM 801 CG LYS A 49 -8.496 -4.258 -4.815 1.00 0.00 C ATOM 802 CD LYS A 49 -9.580 -4.316 -5.883 1.00 0.00 C ATOM 803 CE LYS A 49 -10.683 -5.289 -5.488 1.00 0.00 C ATOM 804 NZ LYS A 49 -11.820 -5.276 -6.444 1.00 0.00 N ATOM 0 H LYS A 49 -6.143 -5.499 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.011 -3.903 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.743 -3.135 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.760 -2.380 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.109 -5.262 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.932 -3.916 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.003 -3.322 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.143 -4.622 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.271 -6.297 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.047 -5.037 -4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.717 -5.273 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.765 -4.424 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.776 -6.122 -7.048 1.00 0.00 H new ATOM 818 N THR A 50 -5.324 -1.926 -7.215 1.00 0.00 N ATOM 819 CA THR A 50 -4.215 -0.998 -7.368 1.00 0.00 C ATOM 820 C THR A 50 -4.703 0.437 -7.209 1.00 0.00 C ATOM 821 O THR A 50 -5.866 0.737 -7.475 1.00 0.00 O ATOM 822 CB THR A 50 -3.528 -1.147 -8.739 1.00 0.00 C ATOM 823 OG1 THR A 50 -3.430 -2.534 -9.102 1.00 0.00 O ATOM 824 CG2 THR A 50 -2.133 -0.543 -8.707 1.00 0.00 C ATOM 0 H THR A 50 -6.167 -1.673 -7.731 1.00 0.00 H new ATOM 0 HA THR A 50 -3.488 -1.234 -6.591 1.00 0.00 H new ATOM 0 HB THR A 50 -4.133 -0.619 -9.476 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.993 -2.613 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.664 -0.658 -9.684 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.201 0.516 -8.460 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.533 -1.054 -7.954 1.00 0.00 H new ATOM 832 N GLY A 51 -3.814 1.314 -6.781 1.00 0.00 N ATOM 833 CA GLY A 51 -4.176 2.701 -6.583 1.00 0.00 C ATOM 834 C GLY A 51 -3.079 3.476 -5.895 1.00 0.00 C ATOM 835 O GLY A 51 -1.962 2.975 -5.743 1.00 0.00 O ATOM 0 H GLY A 51 -2.842 1.091 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.395 3.160 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.088 2.757 -5.988 1.00 0.00 H new ATOM 839 N PHE A 52 -3.390 4.691 -5.473 1.00 0.00 N ATOM 840 CA PHE A 52 -2.421 5.542 -4.815 1.00 0.00 C ATOM 841 C PHE A 52 -2.746 5.668 -3.336 1.00 0.00 C ATOM 842 O PHE A 52 -3.911 5.753 -2.946 1.00 0.00 O ATOM 843 CB PHE A 52 -2.380 6.924 -5.472 1.00 0.00 C ATOM 844 CG PHE A 52 -1.807 6.915 -6.863 1.00 0.00 C ATOM 845 CD1 PHE A 52 -2.621 6.706 -7.965 1.00 0.00 C ATOM 846 CD2 PHE A 52 -0.451 7.115 -7.064 1.00 0.00 C ATOM 847 CE1 PHE A 52 -2.092 6.697 -9.241 1.00 0.00 C ATOM 848 CE2 PHE A 52 0.084 7.108 -8.337 1.00 0.00 C ATOM 849 CZ PHE A 52 -0.737 6.899 -9.428 1.00 0.00 C ATOM 0 H PHE A 52 -4.314 5.109 -5.577 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.437 5.085 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.391 7.330 -5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.789 7.595 -4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.680 6.548 -7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.196 7.278 -6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.736 6.532 -10.092 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.143 7.266 -8.479 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.321 6.893 -10.425 1.00 0.00 H new ATOM 859 N VAL A 53 -1.712 5.655 -2.520 1.00 0.00 N ATOM 860 CA VAL A 53 -1.876 5.748 -1.079 1.00 0.00 C ATOM 861 C VAL A 53 -1.099 6.933 -0.509 1.00 0.00 C ATOM 862 O VAL A 53 -0.054 7.322 -1.042 1.00 0.00 O ATOM 863 CB VAL A 53 -1.435 4.446 -0.371 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.334 3.293 -0.782 1.00 0.00 C ATOM 865 CG2 VAL A 53 0.024 4.128 -0.669 1.00 0.00 C ATOM 0 H VAL A 53 -0.743 5.581 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.939 5.901 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.529 4.593 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.012 2.383 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.364 3.518 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.272 3.150 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.307 3.208 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.157 4.003 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.654 4.946 -0.318 1.00 0.00 H new ATOM 875 N PRO A 54 -1.619 7.535 0.574 1.00 0.00 N ATOM 876 CA PRO A 54 -0.976 8.666 1.241 1.00 0.00 C ATOM 877 C PRO A 54 0.363 8.274 1.859 1.00 0.00 C ATOM 878 O PRO A 54 0.448 7.314 2.624 1.00 0.00 O ATOM 879 CB PRO A 54 -1.975 9.062 2.334 1.00 0.00 C ATOM 880 CG PRO A 54 -2.800 7.843 2.556 1.00 0.00 C ATOM 881 CD PRO A 54 -2.884 7.163 1.223 1.00 0.00 C ATOM 0 HA PRO A 54 -0.751 9.476 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.463 9.364 3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.591 9.905 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.343 7.191 3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.792 8.103 2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.980 6.082 1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.746 7.505 0.650 1.00 0.00 H new ATOM 889 N SER A 55 1.395 9.043 1.547 1.00 0.00 N ATOM 890 CA SER A 55 2.755 8.740 1.984 1.00 0.00 C ATOM 891 C SER A 55 2.904 8.890 3.501 1.00 0.00 C ATOM 892 O SER A 55 3.909 8.479 4.073 1.00 0.00 O ATOM 893 CB SER A 55 3.742 9.661 1.258 1.00 0.00 C ATOM 894 OG SER A 55 5.088 9.345 1.569 1.00 0.00 O ATOM 0 H SER A 55 1.317 9.892 0.986 1.00 0.00 H new ATOM 0 HA SER A 55 2.973 7.701 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.590 9.580 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.540 10.697 1.531 1.00 0.00 H new ATOM 0 HG SER A 55 5.416 8.662 0.947 1.00 0.00 H new ATOM 900 N ASN A 56 1.902 9.476 4.143 1.00 0.00 N ATOM 901 CA ASN A 56 1.947 9.714 5.582 1.00 0.00 C ATOM 902 C ASN A 56 1.363 8.535 6.356 1.00 0.00 C ATOM 903 O ASN A 56 1.555 8.421 7.566 1.00 0.00 O ATOM 904 CB ASN A 56 1.184 10.997 5.939 1.00 0.00 C ATOM 905 CG ASN A 56 1.815 12.255 5.360 1.00 0.00 C ATOM 906 OD1 ASN A 56 2.427 12.233 4.291 1.00 0.00 O ATOM 907 ND2 ASN A 56 1.669 13.365 6.063 1.00 0.00 N ATOM 0 H ASN A 56 1.046 9.796 3.690 1.00 0.00 H new ATOM 0 HA ASN A 56 2.993 9.828 5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.159 10.914 5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.133 11.091 7.024 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.069 14.240 5.724 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.156 13.347 6.944 1.00 0.00 H new ATOM 914 N TYR A 57 0.649 7.660 5.657 1.00 0.00 N ATOM 915 CA TYR A 57 0.004 6.524 6.296 1.00 0.00 C ATOM 916 C TYR A 57 0.682 5.214 5.915 1.00 0.00 C ATOM 917 O TYR A 57 0.389 4.168 6.490 1.00 0.00 O ATOM 918 CB TYR A 57 -1.480 6.468 5.926 1.00 0.00 C ATOM 919 CG TYR A 57 -2.331 7.481 6.656 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.309 8.827 6.311 1.00 0.00 C ATOM 921 CD2 TYR A 57 -3.161 7.085 7.696 1.00 0.00 C ATOM 922 CE1 TYR A 57 -3.088 9.748 6.986 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.943 7.998 8.375 1.00 0.00 C ATOM 924 CZ TYR A 57 -3.904 9.327 8.017 1.00 0.00 C ATOM 925 OH TYR A 57 -4.684 10.240 8.693 1.00 0.00 O ATOM 0 H TYR A 57 0.504 7.717 4.649 1.00 0.00 H new ATOM 0 HA TYR A 57 0.098 6.657 7.374 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.583 6.627 4.853 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.860 5.469 6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.674 9.159 5.503 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.196 6.043 7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.058 10.791 6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.582 7.672 9.182 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.199 9.779 9.388 1.00 0.00 H new ATOM 935 N VAL A 58 1.593 5.269 4.953 1.00 0.00 N ATOM 936 CA VAL A 58 2.279 4.074 4.491 1.00 0.00 C ATOM 937 C VAL A 58 3.792 4.241 4.593 1.00 0.00 C ATOM 938 O VAL A 58 4.290 5.359 4.735 1.00 0.00 O ATOM 939 CB VAL A 58 1.907 3.717 3.038 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.413 3.499 2.896 1.00 0.00 C ATOM 941 CG2 VAL A 58 2.384 4.782 2.066 1.00 0.00 C ATOM 0 H VAL A 58 1.873 6.128 4.479 1.00 0.00 H new ATOM 0 HA VAL A 58 1.955 3.260 5.139 1.00 0.00 H new ATOM 0 HB VAL A 58 2.415 2.785 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.179 3.249 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.101 2.682 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.116 4.409 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.105 4.499 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.921 5.737 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.468 4.876 2.132 1.00 0.00 H new ATOM 951 N GLU A 59 4.510 3.126 4.513 1.00 0.00 N ATOM 952 CA GLU A 59 5.964 3.117 4.635 1.00 0.00 C ATOM 953 C GLU A 59 6.599 2.240 3.561 1.00 0.00 C ATOM 954 O GLU A 59 5.916 1.470 2.883 1.00 0.00 O ATOM 955 CB GLU A 59 6.377 2.608 6.015 1.00 0.00 C ATOM 956 CG GLU A 59 6.103 3.590 7.131 1.00 0.00 C ATOM 957 CD GLU A 59 7.094 4.739 7.151 1.00 0.00 C ATOM 958 OE1 GLU A 59 8.293 4.487 7.376 1.00 0.00 O ATOM 959 OE2 GLU A 59 6.670 5.901 6.973 1.00 0.00 O ATOM 0 H GLU A 59 4.101 2.204 4.362 1.00 0.00 H new ATOM 0 HA GLU A 59 6.315 4.140 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.848 1.678 6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.441 2.373 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.094 3.987 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.138 3.068 8.087 1.00 0.00 H new