USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 400 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 11 TYR OH : rot 15:sc= 0.855 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -179:sc= 1.15 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 31:sc= 0.0272 USER MOD Single : A 10 SER OG : rot -61:sc= 0.733 USER MOD Single : A 12 MET CE :methyl -155:sc= -5.37! (180deg=-6.15!) USER MOD Single : A 13 THR OG1 : rot 146:sc= 1.18 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 125:sc= 0.252 USER MOD Single : A 17 TYR OH : rot -176:sc= 0.186 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 39 GLN : amide:sc= -0.0365 K(o=-0.036,f=-1.7!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -46:sc= 0.0171 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0787 K(o=-0.079,f=-1.5) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N THR A 9 4.600 -2.452 7.837 1.00 0.00 N ATOM 77 CA THR A 9 3.499 -3.166 7.202 1.00 0.00 C ATOM 78 C THR A 9 3.806 -3.461 5.739 1.00 0.00 C ATOM 79 O THR A 9 4.022 -2.547 4.943 1.00 0.00 O ATOM 80 CB THR A 9 2.187 -2.364 7.288 1.00 0.00 C ATOM 81 OG1 THR A 9 1.812 -2.181 8.658 1.00 0.00 O ATOM 82 CG2 THR A 9 1.068 -3.076 6.542 1.00 0.00 C ATOM 0 HA THR A 9 3.378 -4.106 7.741 1.00 0.00 H new ATOM 0 HB THR A 9 2.351 -1.391 6.824 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.617 -2.136 9.214 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.151 -2.491 6.617 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.343 -3.187 5.493 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.907 -4.061 6.981 1.00 0.00 H new ATOM 90 N SER A 10 3.824 -4.744 5.390 1.00 0.00 N ATOM 91 CA SER A 10 4.108 -5.160 4.021 1.00 0.00 C ATOM 92 C SER A 10 2.837 -5.159 3.178 1.00 0.00 C ATOM 93 O SER A 10 1.760 -5.516 3.658 1.00 0.00 O ATOM 94 CB SER A 10 4.741 -6.553 4.010 1.00 0.00 C ATOM 95 OG SER A 10 6.151 -6.474 4.120 1.00 0.00 O ATOM 0 H SER A 10 3.645 -5.513 6.036 1.00 0.00 H new ATOM 0 HA SER A 10 4.810 -4.447 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.341 -7.144 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.474 -7.070 3.088 1.00 0.00 H new ATOM 0 HG SER A 10 6.511 -5.978 3.356 1.00 0.00 H new ATOM 101 N TYR A 11 2.970 -4.757 1.919 1.00 0.00 N ATOM 102 CA TYR A 11 1.832 -4.707 1.009 1.00 0.00 C ATOM 103 C TYR A 11 2.093 -5.551 -0.235 1.00 0.00 C ATOM 104 O TYR A 11 3.228 -5.939 -0.509 1.00 0.00 O ATOM 105 CB TYR A 11 1.538 -3.261 0.605 1.00 0.00 C ATOM 106 CG TYR A 11 1.112 -2.385 1.762 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.993 -2.084 2.793 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.172 -1.857 1.822 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.608 -1.284 3.851 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.565 -1.055 2.876 1.00 0.00 C ATOM 111 CZ TYR A 11 0.328 -0.772 3.888 1.00 0.00 C ATOM 112 OH TYR A 11 -0.059 0.026 4.940 1.00 0.00 O ATOM 0 H TYR A 11 3.854 -4.461 1.505 1.00 0.00 H new ATOM 0 HA TYR A 11 0.965 -5.115 1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.428 -2.833 0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.754 -3.256 -0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.996 -2.482 2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.874 -2.077 1.032 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.305 -1.061 4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.566 -0.652 2.907 1.00 0.00 H new ATOM 0 HH TYR A 11 0.733 0.323 5.434 1.00 0.00 H new ATOM 122 N MET A 12 1.032 -5.830 -0.985 1.00 0.00 N ATOM 123 CA MET A 12 1.145 -6.627 -2.202 1.00 0.00 C ATOM 124 C MET A 12 0.914 -5.765 -3.439 1.00 0.00 C ATOM 125 O MET A 12 -0.125 -5.117 -3.573 1.00 0.00 O ATOM 126 CB MET A 12 0.142 -7.782 -2.176 1.00 0.00 C ATOM 127 CG MET A 12 0.114 -8.591 -3.463 1.00 0.00 C ATOM 128 SD MET A 12 1.394 -9.860 -3.513 1.00 0.00 S ATOM 129 CE MET A 12 2.138 -9.527 -5.108 1.00 0.00 C ATOM 0 H MET A 12 0.085 -5.517 -0.772 1.00 0.00 H new ATOM 0 HA MET A 12 2.155 -7.034 -2.248 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.385 -8.445 -1.345 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.854 -7.383 -1.985 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.863 -9.062 -3.571 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.240 -7.920 -4.312 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.608 -10.434 -5.487 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.369 -9.198 -5.807 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.890 -8.745 -5.003 1.00 0.00 H new ATOM 139 N THR A 13 1.890 -5.760 -4.343 1.00 0.00 N ATOM 140 CA THR A 13 1.793 -4.977 -5.568 1.00 0.00 C ATOM 141 C THR A 13 0.968 -5.705 -6.623 1.00 0.00 C ATOM 142 O THR A 13 1.201 -6.882 -6.903 1.00 0.00 O ATOM 143 CB THR A 13 3.186 -4.666 -6.147 1.00 0.00 C ATOM 144 OG1 THR A 13 3.699 -5.814 -6.833 1.00 0.00 O ATOM 145 CG2 THR A 13 4.151 -4.255 -5.045 1.00 0.00 C ATOM 0 H THR A 13 2.756 -6.290 -4.249 1.00 0.00 H new ATOM 0 HA THR A 13 1.299 -4.041 -5.306 1.00 0.00 H new ATOM 0 HB THR A 13 3.087 -3.838 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.230 -5.524 -7.604 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.128 -4.040 -5.478 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.773 -3.364 -4.544 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.245 -5.066 -4.322 1.00 0.00 H new ATOM 153 N CYS A 14 0.004 -5.000 -7.204 1.00 0.00 N ATOM 154 CA CYS A 14 -0.856 -5.580 -8.229 1.00 0.00 C ATOM 155 C CYS A 14 -0.641 -4.892 -9.573 1.00 0.00 C ATOM 156 O CYS A 14 -1.043 -5.407 -10.616 1.00 0.00 O ATOM 157 CB CYS A 14 -2.324 -5.470 -7.815 1.00 0.00 C ATOM 158 SG CYS A 14 -3.422 -6.622 -8.672 1.00 0.00 S ATOM 0 H CYS A 14 -0.202 -4.026 -6.983 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.594 -6.633 -8.335 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.401 -5.642 -6.741 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.667 -4.452 -8.000 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.641 -6.453 -8.252 1.00 0.00 H new ATOM 164 N SER A 15 -0.006 -3.725 -9.539 1.00 0.00 N ATOM 165 CA SER A 15 0.258 -2.963 -10.754 1.00 0.00 C ATOM 166 C SER A 15 1.721 -2.535 -10.820 1.00 0.00 C ATOM 167 O SER A 15 2.309 -2.141 -9.814 1.00 0.00 O ATOM 168 CB SER A 15 -0.649 -1.732 -10.817 1.00 0.00 C ATOM 169 OG SER A 15 -0.961 -1.262 -9.517 1.00 0.00 O ATOM 0 H SER A 15 0.335 -3.287 -8.684 1.00 0.00 H new ATOM 0 HA SER A 15 0.047 -3.605 -11.609 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.157 -0.942 -11.384 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.568 -1.980 -11.348 1.00 0.00 H new ATOM 0 HG SER A 15 -0.710 -0.318 -9.442 1.00 0.00 H new ATOM 175 N ALA A 16 2.301 -2.615 -12.013 1.00 0.00 N ATOM 176 CA ALA A 16 3.694 -2.234 -12.212 1.00 0.00 C ATOM 177 C ALA A 16 3.859 -0.719 -12.180 1.00 0.00 C ATOM 178 O ALA A 16 3.333 -0.009 -13.037 1.00 0.00 O ATOM 179 CB ALA A 16 4.211 -2.795 -13.529 1.00 0.00 C ATOM 0 H ALA A 16 1.828 -2.940 -12.856 1.00 0.00 H new ATOM 0 HA ALA A 16 4.280 -2.654 -11.395 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.252 -2.503 -13.665 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.138 -3.882 -13.515 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.613 -2.402 -14.352 1.00 0.00 H new ATOM 185 N TYR A 17 4.590 -0.230 -11.185 1.00 0.00 N ATOM 186 CA TYR A 17 4.821 1.203 -11.038 1.00 0.00 C ATOM 187 C TYR A 17 6.160 1.604 -11.651 1.00 0.00 C ATOM 188 O TYR A 17 7.106 0.817 -11.669 1.00 0.00 O ATOM 189 CB TYR A 17 4.784 1.598 -9.561 1.00 0.00 C ATOM 190 CG TYR A 17 5.467 2.916 -9.270 1.00 0.00 C ATOM 191 CD1 TYR A 17 6.843 2.984 -9.095 1.00 0.00 C ATOM 192 CD2 TYR A 17 4.734 4.093 -9.172 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.470 4.186 -8.828 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.353 5.299 -8.906 1.00 0.00 C ATOM 195 CZ TYR A 17 6.721 5.340 -8.735 1.00 0.00 C ATOM 196 OH TYR A 17 7.342 6.540 -8.470 1.00 0.00 O ATOM 0 H TYR A 17 5.033 -0.804 -10.468 1.00 0.00 H new ATOM 0 HA TYR A 17 4.027 1.730 -11.567 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.746 1.657 -9.235 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.259 0.814 -8.972 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.433 2.082 -9.169 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.663 4.064 -9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.541 4.221 -8.693 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.769 6.205 -8.832 1.00 0.00 H new ATOM 0 HH TYR A 17 6.667 7.244 -8.375 1.00 0.00 H new ATOM 206 N GLN A 18 6.231 2.834 -12.149 1.00 0.00 N ATOM 207 CA GLN A 18 7.453 3.340 -12.762 1.00 0.00 C ATOM 208 C GLN A 18 8.134 4.360 -11.856 1.00 0.00 C ATOM 209 O GLN A 18 7.473 5.188 -11.228 1.00 0.00 O ATOM 210 CB GLN A 18 7.144 3.972 -14.120 1.00 0.00 C ATOM 211 CG GLN A 18 8.326 3.971 -15.075 1.00 0.00 C ATOM 212 CD GLN A 18 8.496 2.645 -15.791 1.00 0.00 C ATOM 213 OE1 GLN A 18 7.605 2.197 -16.513 1.00 0.00 O ATOM 214 NE2 GLN A 18 9.646 2.009 -15.595 1.00 0.00 N ATOM 0 H GLN A 18 5.457 3.498 -12.140 1.00 0.00 H new ATOM 0 HA GLN A 18 8.132 2.500 -12.907 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.315 3.435 -14.581 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.813 4.999 -13.966 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.194 4.763 -15.812 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.236 4.200 -14.521 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.357 2.417 -14.988 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.817 1.113 -16.051 1.00 0.00 H new ATOM 223 N LYS A 19 9.460 4.296 -11.792 1.00 0.00 N ATOM 224 CA LYS A 19 10.232 5.214 -10.963 1.00 0.00 C ATOM 225 C LYS A 19 10.410 6.558 -11.662 1.00 0.00 C ATOM 226 O LYS A 19 10.897 6.622 -12.792 1.00 0.00 O ATOM 227 CB LYS A 19 11.600 4.611 -10.637 1.00 0.00 C ATOM 228 CG LYS A 19 12.372 4.155 -11.863 1.00 0.00 C ATOM 229 CD LYS A 19 13.865 4.084 -11.587 1.00 0.00 C ATOM 230 CE LYS A 19 14.492 5.469 -11.552 1.00 0.00 C ATOM 231 NZ LYS A 19 14.963 5.899 -12.898 1.00 0.00 N ATOM 0 H LYS A 19 10.023 3.617 -12.305 1.00 0.00 H new ATOM 0 HA LYS A 19 9.683 5.377 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.194 5.349 -10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.463 3.762 -9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.012 3.175 -12.177 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.186 4.843 -12.688 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.037 3.582 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.350 3.483 -12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.764 6.188 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.331 5.470 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.384 6.848 -12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.676 5.227 -13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.158 5.923 -13.556 1.00 0.00 H new ATOM 245 N VAL A 20 10.015 7.630 -10.983 1.00 0.00 N ATOM 246 CA VAL A 20 10.135 8.973 -11.538 1.00 0.00 C ATOM 247 C VAL A 20 11.560 9.497 -11.408 1.00 0.00 C ATOM 248 O VAL A 20 12.173 9.907 -12.394 1.00 0.00 O ATOM 249 CB VAL A 20 9.173 9.955 -10.842 1.00 0.00 C ATOM 250 CG1 VAL A 20 9.374 11.366 -11.374 1.00 0.00 C ATOM 251 CG2 VAL A 20 7.731 9.508 -11.025 1.00 0.00 C ATOM 0 H VAL A 20 9.609 7.595 -10.048 1.00 0.00 H new ATOM 0 HA VAL A 20 9.872 8.904 -12.594 1.00 0.00 H new ATOM 0 HB VAL A 20 9.395 9.959 -9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.686 12.046 -10.871 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.400 11.683 -11.186 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.180 11.382 -12.447 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.066 10.213 -10.527 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.493 9.473 -12.088 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.600 8.517 -10.591 1.00 0.00 H new ATOM 261 N GLN A 21 12.082 9.480 -10.186 1.00 0.00 N ATOM 262 CA GLN A 21 13.437 9.954 -9.928 1.00 0.00 C ATOM 263 C GLN A 21 14.310 8.832 -9.375 1.00 0.00 C ATOM 264 O GLN A 21 13.808 7.781 -8.975 1.00 0.00 O ATOM 265 CB GLN A 21 13.411 11.127 -8.947 1.00 0.00 C ATOM 266 CG GLN A 21 12.499 12.263 -9.380 1.00 0.00 C ATOM 267 CD GLN A 21 12.980 13.616 -8.895 1.00 0.00 C ATOM 268 OE1 GLN A 21 14.137 13.772 -8.505 1.00 0.00 O ATOM 269 NE2 GLN A 21 12.093 14.603 -8.918 1.00 0.00 N ATOM 0 H GLN A 21 11.588 9.143 -9.360 1.00 0.00 H new ATOM 0 HA GLN A 21 13.864 10.289 -10.873 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.089 10.766 -7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.424 11.511 -8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.431 12.275 -10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.494 12.082 -9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.144 14.428 -9.249 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.360 15.536 -8.604 1.00 0.00 H new ATOM 278 N ASP A 22 15.618 9.062 -9.355 1.00 0.00 N ATOM 279 CA ASP A 22 16.561 8.071 -8.850 1.00 0.00 C ATOM 280 C ASP A 22 16.155 7.593 -7.459 1.00 0.00 C ATOM 281 O ASP A 22 16.429 6.455 -7.079 1.00 0.00 O ATOM 282 CB ASP A 22 17.974 8.655 -8.810 1.00 0.00 C ATOM 283 CG ASP A 22 18.006 10.054 -8.226 1.00 0.00 C ATOM 284 OD1 ASP A 22 17.772 11.018 -8.984 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.266 10.184 -7.012 1.00 0.00 O ATOM 0 H ASP A 22 16.050 9.926 -9.683 1.00 0.00 H new ATOM 0 HA ASP A 22 16.548 7.216 -9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.617 8.003 -8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.384 8.676 -9.820 1.00 0.00 H new ATOM 290 N SER A 23 15.501 8.471 -6.705 1.00 0.00 N ATOM 291 CA SER A 23 15.061 8.140 -5.355 1.00 0.00 C ATOM 292 C SER A 23 13.948 7.096 -5.386 1.00 0.00 C ATOM 293 O SER A 23 13.771 6.335 -4.436 1.00 0.00 O ATOM 294 CB SER A 23 14.575 9.398 -4.632 1.00 0.00 C ATOM 295 OG SER A 23 15.637 10.316 -4.437 1.00 0.00 O ATOM 0 H SER A 23 15.264 9.416 -7.006 1.00 0.00 H new ATOM 0 HA SER A 23 15.911 7.723 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.783 9.871 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.145 9.124 -3.669 1.00 0.00 H new ATOM 0 HG SER A 23 15.301 11.112 -3.975 1.00 0.00 H new ATOM 301 N GLU A 24 13.202 7.069 -6.486 1.00 0.00 N ATOM 302 CA GLU A 24 12.106 6.119 -6.641 1.00 0.00 C ATOM 303 C GLU A 24 12.594 4.825 -7.286 1.00 0.00 C ATOM 304 O GLU A 24 13.677 4.781 -7.871 1.00 0.00 O ATOM 305 CB GLU A 24 10.987 6.732 -7.485 1.00 0.00 C ATOM 306 CG GLU A 24 10.145 7.750 -6.734 1.00 0.00 C ATOM 307 CD GLU A 24 10.850 9.084 -6.573 1.00 0.00 C ATOM 308 OE1 GLU A 24 12.046 9.168 -6.922 1.00 0.00 O ATOM 309 OE2 GLU A 24 10.206 10.042 -6.097 1.00 0.00 O ATOM 0 H GLU A 24 13.336 7.693 -7.282 1.00 0.00 H new ATOM 0 HA GLU A 24 11.718 5.886 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.425 7.211 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.339 5.934 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.205 7.901 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.895 7.354 -5.750 1.00 0.00 H new ATOM 316 N ILE A 25 11.789 3.775 -7.173 1.00 0.00 N ATOM 317 CA ILE A 25 12.138 2.480 -7.744 1.00 0.00 C ATOM 318 C ILE A 25 10.923 1.814 -8.380 1.00 0.00 C ATOM 319 O ILE A 25 9.821 1.856 -7.832 1.00 0.00 O ATOM 320 CB ILE A 25 12.729 1.536 -6.681 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.589 0.079 -7.127 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.045 1.753 -5.340 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.237 -0.522 -6.812 1.00 0.00 C ATOM 0 H ILE A 25 10.890 3.795 -6.691 1.00 0.00 H new ATOM 0 HA ILE A 25 12.890 2.666 -8.511 1.00 0.00 H new ATOM 0 HB ILE A 25 13.789 1.761 -6.566 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.763 0.018 -8.201 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.364 -0.516 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.474 1.078 -4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.192 2.784 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.978 1.552 -5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.209 -1.556 -7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.068 -0.493 -5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.458 0.049 -7.317 1.00 0.00 H new ATOM 335 N SER A 26 11.131 1.198 -9.539 1.00 0.00 N ATOM 336 CA SER A 26 10.052 0.524 -10.251 1.00 0.00 C ATOM 337 C SER A 26 9.990 -0.953 -9.872 1.00 0.00 C ATOM 338 O SER A 26 11.015 -1.630 -9.797 1.00 0.00 O ATOM 339 CB SER A 26 10.243 0.666 -11.763 1.00 0.00 C ATOM 340 OG SER A 26 11.443 0.042 -12.186 1.00 0.00 O ATOM 0 H SER A 26 12.037 1.152 -10.005 1.00 0.00 H new ATOM 0 HA SER A 26 9.112 0.995 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.395 0.221 -12.283 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.264 1.722 -12.033 1.00 0.00 H new ATOM 0 HG SER A 26 11.541 0.145 -13.156 1.00 0.00 H new ATOM 346 N PHE A 27 8.779 -1.445 -9.633 1.00 0.00 N ATOM 347 CA PHE A 27 8.581 -2.841 -9.260 1.00 0.00 C ATOM 348 C PHE A 27 7.472 -3.475 -10.095 1.00 0.00 C ATOM 349 O PHE A 27 6.478 -2.837 -10.441 1.00 0.00 O ATOM 350 CB PHE A 27 8.240 -2.950 -7.773 1.00 0.00 C ATOM 351 CG PHE A 27 7.208 -1.957 -7.320 1.00 0.00 C ATOM 352 CD1 PHE A 27 5.863 -2.174 -7.568 1.00 0.00 C ATOM 353 CD2 PHE A 27 7.584 -0.806 -6.646 1.00 0.00 C ATOM 354 CE1 PHE A 27 4.911 -1.263 -7.152 1.00 0.00 C ATOM 355 CE2 PHE A 27 6.637 0.109 -6.227 1.00 0.00 C ATOM 356 CZ PHE A 27 5.298 -0.119 -6.482 1.00 0.00 C ATOM 0 H PHE A 27 7.920 -0.898 -9.691 1.00 0.00 H new ATOM 0 HA PHE A 27 9.510 -3.378 -9.453 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.880 -3.957 -7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.149 -2.809 -7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.554 -3.066 -8.093 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.629 -0.622 -6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.865 -1.445 -7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.943 1.001 -5.701 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.556 0.596 -6.158 1.00 0.00 H new ATOM 366 N PRO A 28 7.647 -4.763 -10.429 1.00 0.00 N ATOM 367 CA PRO A 28 6.672 -5.513 -11.227 1.00 0.00 C ATOM 368 C PRO A 28 5.382 -5.784 -10.462 1.00 0.00 C ATOM 369 O PRO A 28 5.289 -5.509 -9.266 1.00 0.00 O ATOM 370 CB PRO A 28 7.399 -6.825 -11.532 1.00 0.00 C ATOM 371 CG PRO A 28 8.384 -6.979 -10.425 1.00 0.00 C ATOM 372 CD PRO A 28 8.808 -5.586 -10.051 1.00 0.00 C ATOM 0 HA PRO A 28 6.364 -4.963 -12.116 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.704 -7.664 -11.563 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.896 -6.786 -12.501 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.937 -7.493 -9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.239 -7.575 -10.744 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.028 -5.505 -8.987 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.707 -5.282 -10.587 1.00 0.00 H new ATOM 380 N ALA A 29 4.388 -6.325 -11.159 1.00 0.00 N ATOM 381 CA ALA A 29 3.104 -6.636 -10.544 1.00 0.00 C ATOM 382 C ALA A 29 3.071 -8.074 -10.038 1.00 0.00 C ATOM 383 O ALA A 29 2.994 -9.017 -10.823 1.00 0.00 O ATOM 384 CB ALA A 29 1.973 -6.397 -11.534 1.00 0.00 C ATOM 0 H ALA A 29 4.448 -6.557 -12.150 1.00 0.00 H new ATOM 0 HA ALA A 29 2.970 -5.974 -9.688 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.020 -6.633 -11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.975 -5.352 -11.844 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.113 -7.034 -12.407 1.00 0.00 H new ATOM 390 N GLY A 30 3.131 -8.233 -8.719 1.00 0.00 N ATOM 391 CA GLY A 30 3.108 -9.560 -8.130 1.00 0.00 C ATOM 392 C GLY A 30 4.231 -9.772 -7.135 1.00 0.00 C ATOM 393 O GLY A 30 4.601 -10.908 -6.838 1.00 0.00 O ATOM 0 H GLY A 30 3.195 -7.467 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.151 -9.717 -7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.182 -10.306 -8.921 1.00 0.00 H new ATOM 397 N VAL A 31 4.776 -8.675 -6.617 1.00 0.00 N ATOM 398 CA VAL A 31 5.864 -8.746 -5.649 1.00 0.00 C ATOM 399 C VAL A 31 5.475 -8.078 -4.335 1.00 0.00 C ATOM 400 O VAL A 31 4.655 -7.160 -4.314 1.00 0.00 O ATOM 401 CB VAL A 31 7.142 -8.081 -6.192 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.676 -8.849 -7.391 1.00 0.00 C ATOM 403 CG2 VAL A 31 6.873 -6.628 -6.556 1.00 0.00 C ATOM 0 H VAL A 31 4.482 -7.727 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 31 6.061 -9.803 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 31 7.901 -8.102 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.579 -8.364 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.909 -9.872 -7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.923 -8.863 -8.179 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.787 -6.173 -6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.098 -6.582 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.541 -6.086 -5.670 1.00 0.00 H new ATOM 413 N GLU A 32 6.069 -8.544 -3.242 1.00 0.00 N ATOM 414 CA GLU A 32 5.784 -7.991 -1.923 1.00 0.00 C ATOM 415 C GLU A 32 6.833 -6.955 -1.529 1.00 0.00 C ATOM 416 O GLU A 32 8.019 -7.116 -1.815 1.00 0.00 O ATOM 417 CB GLU A 32 5.735 -9.106 -0.877 1.00 0.00 C ATOM 418 CG GLU A 32 5.145 -8.668 0.453 1.00 0.00 C ATOM 419 CD GLU A 32 4.665 -9.837 1.291 1.00 0.00 C ATOM 420 OE1 GLU A 32 3.580 -10.378 0.988 1.00 0.00 O ATOM 421 OE2 GLU A 32 5.372 -10.211 2.250 1.00 0.00 O ATOM 0 H GLU A 32 6.750 -9.303 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 32 4.812 -7.500 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.147 -9.936 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.745 -9.481 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.895 -8.108 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.311 -7.990 0.271 1.00 0.00 H new ATOM 428 N VAL A 33 6.386 -5.889 -0.871 1.00 0.00 N ATOM 429 CA VAL A 33 7.285 -4.827 -0.437 1.00 0.00 C ATOM 430 C VAL A 33 7.045 -4.466 1.025 1.00 0.00 C ATOM 431 O VAL A 33 6.197 -5.062 1.689 1.00 0.00 O ATOM 432 CB VAL A 33 7.117 -3.562 -1.300 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.602 -3.816 -2.719 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.666 -3.105 -1.298 1.00 0.00 C ATOM 0 H VAL A 33 5.407 -5.739 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 33 8.301 -5.206 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 33 7.725 -2.766 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.476 -2.912 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.656 -4.093 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.022 -4.626 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.565 -2.210 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.035 -3.896 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.357 -2.881 -0.277 1.00 0.00 H new ATOM 444 N GLN A 34 7.796 -3.488 1.519 1.00 0.00 N ATOM 445 CA GLN A 34 7.664 -3.048 2.903 1.00 0.00 C ATOM 446 C GLN A 34 7.466 -1.538 2.978 1.00 0.00 C ATOM 447 O GLN A 34 8.331 -0.767 2.561 1.00 0.00 O ATOM 448 CB GLN A 34 8.900 -3.453 3.708 1.00 0.00 C ATOM 449 CG GLN A 34 8.680 -3.430 5.212 1.00 0.00 C ATOM 450 CD GLN A 34 9.944 -3.734 5.992 1.00 0.00 C ATOM 451 OE1 GLN A 34 10.858 -2.911 6.058 1.00 0.00 O ATOM 452 NE2 GLN A 34 10.003 -4.919 6.587 1.00 0.00 N ATOM 0 H GLN A 34 8.502 -2.985 0.982 1.00 0.00 H new ATOM 0 HA GLN A 34 6.786 -3.532 3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.206 -4.456 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.722 -2.782 3.459 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.304 -2.450 5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.912 -4.158 5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.222 -5.570 6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.829 -5.179 7.126 1.00 0.00 H new ATOM 461 N VAL A 35 6.322 -1.122 3.511 1.00 0.00 N ATOM 462 CA VAL A 35 6.011 0.297 3.642 1.00 0.00 C ATOM 463 C VAL A 35 6.643 0.885 4.898 1.00 0.00 C ATOM 464 O VAL A 35 6.146 0.687 6.007 1.00 0.00 O ATOM 465 CB VAL A 35 4.490 0.536 3.685 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.187 1.989 4.016 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.850 0.137 2.364 1.00 0.00 C ATOM 0 H VAL A 35 5.595 -1.747 3.859 1.00 0.00 H new ATOM 0 HA VAL A 35 6.425 0.794 2.765 1.00 0.00 H new ATOM 0 HB VAL A 35 4.064 -0.087 4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.108 2.139 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.611 2.237 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.625 2.635 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.775 0.313 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.279 0.732 1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.037 -0.920 2.174 1.00 0.00 H new ATOM 477 N LEU A 36 7.741 1.610 4.717 1.00 0.00 N ATOM 478 CA LEU A 36 8.443 2.229 5.836 1.00 0.00 C ATOM 479 C LEU A 36 7.600 3.336 6.462 1.00 0.00 C ATOM 480 O LEU A 36 7.237 3.264 7.636 1.00 0.00 O ATOM 481 CB LEU A 36 9.786 2.795 5.372 1.00 0.00 C ATOM 482 CG LEU A 36 10.738 1.803 4.704 1.00 0.00 C ATOM 483 CD1 LEU A 36 11.933 2.529 4.107 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.196 0.749 5.702 1.00 0.00 C ATOM 0 H LEU A 36 8.165 1.784 3.806 1.00 0.00 H new ATOM 0 HA LEU A 36 8.621 1.462 6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.593 3.609 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.292 3.229 6.234 1.00 0.00 H new ATOM 0 HG LEU A 36 10.203 1.303 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.600 1.807 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.588 3.245 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.469 3.057 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.873 0.051 5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.713 1.233 6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.330 0.207 6.082 1.00 0.00 H new ATOM 496 N GLU A 37 7.291 4.357 5.669 1.00 0.00 N ATOM 497 CA GLU A 37 6.489 5.478 6.146 1.00 0.00 C ATOM 498 C GLU A 37 5.423 5.858 5.123 1.00 0.00 C ATOM 499 O GLU A 37 5.468 5.426 3.972 1.00 0.00 O ATOM 500 CB GLU A 37 7.383 6.684 6.440 1.00 0.00 C ATOM 501 CG GLU A 37 6.718 7.737 7.310 1.00 0.00 C ATOM 502 CD GLU A 37 7.691 8.798 7.789 1.00 0.00 C ATOM 503 OE1 GLU A 37 8.625 8.449 8.541 1.00 0.00 O ATOM 504 OE2 GLU A 37 7.518 9.976 7.412 1.00 0.00 O ATOM 0 H GLU A 37 7.583 4.431 4.695 1.00 0.00 H new ATOM 0 HA GLU A 37 5.992 5.171 7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.293 6.340 6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.684 7.141 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.915 8.213 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.260 7.254 8.173 1.00 0.00 H new ATOM 511 N LYS A 38 4.463 6.670 5.553 1.00 0.00 N ATOM 512 CA LYS A 38 3.384 7.111 4.677 1.00 0.00 C ATOM 513 C LYS A 38 3.258 8.631 4.690 1.00 0.00 C ATOM 514 O LYS A 38 3.474 9.270 5.719 1.00 0.00 O ATOM 515 CB LYS A 38 2.059 6.475 5.105 1.00 0.00 C ATOM 516 CG LYS A 38 1.955 4.998 4.764 1.00 0.00 C ATOM 517 CD LYS A 38 0.525 4.498 4.886 1.00 0.00 C ATOM 518 CE LYS A 38 0.469 2.978 4.925 1.00 0.00 C ATOM 519 NZ LYS A 38 -0.875 2.484 5.335 1.00 0.00 N ATOM 0 H LYS A 38 4.410 7.036 6.504 1.00 0.00 H new ATOM 0 HA LYS A 38 3.622 6.793 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.936 6.600 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.238 7.009 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.314 4.832 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.600 4.424 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.072 4.903 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.063 4.864 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.718 2.580 3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.221 2.604 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.868 1.444 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.109 2.857 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.587 2.805 4.648 1.00 0.00 H new ATOM 533 N GLN A 39 2.906 9.201 3.542 1.00 0.00 N ATOM 534 CA GLN A 39 2.751 10.646 3.424 1.00 0.00 C ATOM 535 C GLN A 39 1.288 11.021 3.213 1.00 0.00 C ATOM 536 O GLN A 39 0.607 10.447 2.364 1.00 0.00 O ATOM 537 CB GLN A 39 3.599 11.178 2.267 1.00 0.00 C ATOM 538 CG GLN A 39 5.093 11.148 2.543 1.00 0.00 C ATOM 539 CD GLN A 39 5.556 12.325 3.379 1.00 0.00 C ATOM 540 OE1 GLN A 39 4.850 13.325 3.509 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.749 12.212 3.952 1.00 0.00 N ATOM 0 H GLN A 39 2.723 8.685 2.681 1.00 0.00 H new ATOM 0 HA GLN A 39 3.093 11.100 4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.391 10.588 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.299 12.203 2.049 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.345 10.221 3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.633 11.145 1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.301 11.365 3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.113 12.972 4.526 1.00 0.00 H new ATOM 550 N GLU A 40 0.812 11.987 3.992 1.00 0.00 N ATOM 551 CA GLU A 40 -0.572 12.437 3.890 1.00 0.00 C ATOM 552 C GLU A 40 -0.997 12.561 2.429 1.00 0.00 C ATOM 553 O GLU A 40 -2.130 12.237 2.072 1.00 0.00 O ATOM 554 CB GLU A 40 -0.748 13.782 4.599 1.00 0.00 C ATOM 555 CG GLU A 40 -2.198 14.214 4.733 1.00 0.00 C ATOM 556 CD GLU A 40 -2.349 15.526 5.477 1.00 0.00 C ATOM 557 OE1 GLU A 40 -1.971 15.582 6.666 1.00 0.00 O ATOM 558 OE2 GLU A 40 -2.847 16.498 4.870 1.00 0.00 O ATOM 0 H GLU A 40 1.363 12.473 4.700 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.206 11.694 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.303 13.721 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.199 14.547 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.638 14.311 3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.758 13.438 5.255 1.00 0.00 H new ATOM 565 N SER A 41 -0.081 13.032 1.590 1.00 0.00 N ATOM 566 CA SER A 41 -0.362 13.203 0.169 1.00 0.00 C ATOM 567 C SER A 41 -0.922 11.918 -0.432 1.00 0.00 C ATOM 568 O SER A 41 -2.029 11.901 -0.969 1.00 0.00 O ATOM 569 CB SER A 41 0.908 13.618 -0.577 1.00 0.00 C ATOM 570 OG SER A 41 0.595 14.374 -1.734 1.00 0.00 O ATOM 0 H SER A 41 0.862 13.302 1.869 1.00 0.00 H new ATOM 0 HA SER A 41 -1.110 13.989 0.063 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.546 14.205 0.083 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.474 12.730 -0.861 1.00 0.00 H new ATOM 0 HG SER A 41 1.423 14.629 -2.192 1.00 0.00 H new ATOM 576 N GLY A 42 -0.147 10.841 -0.339 1.00 0.00 N ATOM 577 CA GLY A 42 -0.581 9.565 -0.877 1.00 0.00 C ATOM 578 C GLY A 42 0.582 8.668 -1.251 1.00 0.00 C ATOM 579 O GLY A 42 0.401 7.474 -1.489 1.00 0.00 O ATOM 0 H GLY A 42 0.774 10.830 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.205 9.058 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.201 9.737 -1.757 1.00 0.00 H new ATOM 583 N TRP A 43 1.778 9.243 -1.304 1.00 0.00 N ATOM 584 CA TRP A 43 2.975 8.487 -1.654 1.00 0.00 C ATOM 585 C TRP A 43 3.593 7.844 -0.417 1.00 0.00 C ATOM 586 O TRP A 43 3.923 8.530 0.550 1.00 0.00 O ATOM 587 CB TRP A 43 3.997 9.398 -2.336 1.00 0.00 C ATOM 588 CG TRP A 43 3.604 9.797 -3.726 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.739 10.794 -4.078 1.00 0.00 C ATOM 590 CD2 TRP A 43 4.059 9.207 -4.948 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.630 10.859 -5.446 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.430 9.897 -6.003 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.938 8.165 -5.254 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.652 9.575 -7.339 1.00 0.00 C ATOM 595 CZ3 TRP A 43 5.158 7.847 -6.581 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.518 8.550 -7.610 1.00 0.00 C ATOM 0 H TRP A 43 1.945 10.230 -1.109 1.00 0.00 H new ATOM 0 HA TRP A 43 2.686 7.696 -2.346 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.132 10.296 -1.733 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.960 8.889 -2.371 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.218 11.436 -3.384 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.047 11.517 -5.963 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.437 7.618 -4.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.158 10.115 -8.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.835 7.043 -6.829 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.712 8.278 -8.637 1.00 0.00 H new ATOM 607 N TRP A 44 3.747 6.526 -0.456 1.00 0.00 N ATOM 608 CA TRP A 44 4.326 5.791 0.663 1.00 0.00 C ATOM 609 C TRP A 44 5.723 5.286 0.317 1.00 0.00 C ATOM 610 O TRP A 44 5.980 4.866 -0.811 1.00 0.00 O ATOM 611 CB TRP A 44 3.426 4.616 1.048 1.00 0.00 C ATOM 612 CG TRP A 44 1.997 5.010 1.271 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.505 6.279 1.385 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.877 4.129 1.408 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.146 6.240 1.585 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.264 4.933 1.601 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.725 2.740 1.383 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.535 4.392 1.771 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.538 2.205 1.551 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.654 3.029 1.742 1.00 0.00 C ATOM 0 H TRP A 44 3.479 5.944 -1.250 1.00 0.00 H new ATOM 0 HA TRP A 44 4.405 6.471 1.511 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.469 3.862 0.262 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.814 4.153 1.955 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.097 7.180 1.327 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.459 7.053 1.702 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.579 2.096 1.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.397 5.025 1.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.667 1.133 1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.628 2.580 1.869 1.00 0.00 H new ATOM 631 N TYR A 45 6.621 5.328 1.295 1.00 0.00 N ATOM 632 CA TYR A 45 7.992 4.876 1.093 1.00 0.00 C ATOM 633 C TYR A 45 8.094 3.361 1.243 1.00 0.00 C ATOM 634 O TYR A 45 7.994 2.826 2.348 1.00 0.00 O ATOM 635 CB TYR A 45 8.929 5.562 2.089 1.00 0.00 C ATOM 636 CG TYR A 45 10.366 5.625 1.623 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.682 6.033 0.333 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.409 5.275 2.473 1.00 0.00 C ATOM 639 CE1 TYR A 45 11.993 6.091 -0.097 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.723 5.331 2.051 1.00 0.00 C ATOM 641 CZ TYR A 45 13.010 5.740 0.766 1.00 0.00 C ATOM 642 OH TYR A 45 14.318 5.796 0.342 1.00 0.00 O ATOM 0 H TYR A 45 6.424 5.670 2.235 1.00 0.00 H new ATOM 0 HA TYR A 45 8.290 5.144 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.571 6.575 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.887 5.031 3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.888 6.310 -0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.188 4.954 3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.221 6.409 -1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.521 5.056 2.724 1.00 0.00 H new ATOM 0 HH TYR A 45 14.393 5.382 -0.543 1.00 0.00 H new ATOM 652 N VAL A 46 8.295 2.674 0.123 1.00 0.00 N ATOM 653 CA VAL A 46 8.413 1.221 0.128 1.00 0.00 C ATOM 654 C VAL A 46 9.857 0.786 -0.098 1.00 0.00 C ATOM 655 O VAL A 46 10.712 1.598 -0.454 1.00 0.00 O ATOM 656 CB VAL A 46 7.521 0.582 -0.953 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.094 0.434 -0.448 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.561 1.406 -2.231 1.00 0.00 C ATOM 0 H VAL A 46 8.380 3.101 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 46 8.083 0.880 1.109 1.00 0.00 H new ATOM 0 HB VAL A 46 7.906 -0.413 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.478 -0.019 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.086 -0.201 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.694 1.416 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.925 0.940 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.201 2.414 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.585 1.455 -2.601 1.00 0.00 H new ATOM 668 N ARG A 47 10.121 -0.499 0.110 1.00 0.00 N ATOM 669 CA ARG A 47 11.462 -1.043 -0.071 1.00 0.00 C ATOM 670 C ARG A 47 11.418 -2.350 -0.856 1.00 0.00 C ATOM 671 O ARG A 47 10.768 -3.312 -0.445 1.00 0.00 O ATOM 672 CB ARG A 47 12.129 -1.273 1.287 1.00 0.00 C ATOM 673 CG ARG A 47 13.536 -1.839 1.186 1.00 0.00 C ATOM 674 CD ARG A 47 14.358 -1.512 2.423 1.00 0.00 C ATOM 675 NE ARG A 47 13.919 -2.273 3.589 1.00 0.00 N ATOM 676 CZ ARG A 47 14.527 -2.227 4.769 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.596 -1.460 4.938 1.00 0.00 N ATOM 678 NH2 ARG A 47 14.068 -2.949 5.782 1.00 0.00 N ATOM 0 H ARG A 47 9.424 -1.184 0.404 1.00 0.00 H new ATOM 0 HA ARG A 47 12.047 -0.319 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.165 -0.328 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.513 -1.955 1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.486 -2.920 1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.030 -1.434 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.409 -1.724 2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.283 -0.446 2.637 1.00 0.00 H new ATOM 0 HE ARG A 47 13.100 -2.873 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.953 -0.904 4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.061 -1.426 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.247 -3.541 5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.536 -2.913 6.688 1.00 0.00 H new ATOM 692 N PHE A 48 12.113 -2.378 -1.988 1.00 0.00 N ATOM 693 CA PHE A 48 12.152 -3.567 -2.832 1.00 0.00 C ATOM 694 C PHE A 48 13.561 -4.151 -2.885 1.00 0.00 C ATOM 695 O PHE A 48 14.400 -3.706 -3.667 1.00 0.00 O ATOM 696 CB PHE A 48 11.675 -3.230 -4.246 1.00 0.00 C ATOM 697 CG PHE A 48 11.554 -4.431 -5.140 1.00 0.00 C ATOM 698 CD1 PHE A 48 10.850 -5.551 -4.727 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.144 -4.441 -6.393 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.738 -6.658 -5.547 1.00 0.00 C ATOM 701 CE2 PHE A 48 12.035 -5.544 -7.218 1.00 0.00 C ATOM 702 CZ PHE A 48 11.331 -6.654 -6.795 1.00 0.00 C ATOM 0 H PHE A 48 12.657 -1.591 -2.342 1.00 0.00 H new ATOM 0 HA PHE A 48 11.485 -4.312 -2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.707 -2.733 -4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.370 -2.521 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.383 -5.559 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.696 -3.576 -6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.188 -7.525 -5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.500 -5.538 -8.193 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.244 -7.517 -7.438 1.00 0.00 H new ATOM 712 N GLY A 49 13.813 -5.150 -2.045 1.00 0.00 N ATOM 713 CA GLY A 49 15.121 -5.778 -2.011 1.00 0.00 C ATOM 714 C GLY A 49 16.175 -4.890 -1.379 1.00 0.00 C ATOM 715 O GLY A 49 16.229 -4.755 -0.157 1.00 0.00 O ATOM 0 H GLY A 49 13.135 -5.536 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.057 -6.713 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.425 -6.031 -3.027 1.00 0.00 H new ATOM 719 N GLU A 50 17.014 -4.285 -2.214 1.00 0.00 N ATOM 720 CA GLU A 50 18.072 -3.407 -1.729 1.00 0.00 C ATOM 721 C GLU A 50 17.879 -1.985 -2.246 1.00 0.00 C ATOM 722 O GLU A 50 18.846 -1.248 -2.446 1.00 0.00 O ATOM 723 CB GLU A 50 19.442 -3.937 -2.159 1.00 0.00 C ATOM 724 CG GLU A 50 20.606 -3.236 -1.480 1.00 0.00 C ATOM 725 CD GLU A 50 21.904 -4.012 -1.599 1.00 0.00 C ATOM 726 OE1 GLU A 50 22.263 -4.396 -2.732 1.00 0.00 O ATOM 727 OE2 GLU A 50 22.559 -4.235 -0.560 1.00 0.00 O ATOM 0 H GLU A 50 16.982 -4.387 -3.228 1.00 0.00 H new ATOM 0 HA GLU A 50 18.023 -3.388 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.494 -5.004 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.542 -3.827 -3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 50 20.736 -2.247 -1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.371 -3.087 -0.426 1.00 0.00 H new ATOM 734 N LEU A 51 16.625 -1.605 -2.462 1.00 0.00 N ATOM 735 CA LEU A 51 16.303 -0.271 -2.957 1.00 0.00 C ATOM 736 C LEU A 51 15.009 0.244 -2.334 1.00 0.00 C ATOM 737 O LEU A 51 14.067 -0.518 -2.121 1.00 0.00 O ATOM 738 CB LEU A 51 16.178 -0.288 -4.481 1.00 0.00 C ATOM 739 CG LEU A 51 17.382 -0.834 -5.248 1.00 0.00 C ATOM 740 CD1 LEU A 51 16.990 -1.193 -6.673 1.00 0.00 C ATOM 741 CD2 LEU A 51 18.519 0.178 -5.245 1.00 0.00 C ATOM 0 H LEU A 51 15.814 -2.202 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 51 17.113 0.401 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.304 -0.882 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.987 0.730 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 51 17.726 -1.740 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.860 -1.580 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.209 -1.953 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.620 -0.304 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.368 -0.227 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.186 1.101 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.818 0.386 -4.218 1.00 0.00 H new ATOM 753 N GLU A 52 14.972 1.541 -2.046 1.00 0.00 N ATOM 754 CA GLU A 52 13.793 2.157 -1.450 1.00 0.00 C ATOM 755 C GLU A 52 13.298 3.323 -2.301 1.00 0.00 C ATOM 756 O GLU A 52 14.035 4.273 -2.559 1.00 0.00 O ATOM 757 CB GLU A 52 14.106 2.642 -0.032 1.00 0.00 C ATOM 758 CG GLU A 52 14.235 1.517 0.981 1.00 0.00 C ATOM 759 CD GLU A 52 15.191 1.855 2.109 1.00 0.00 C ATOM 760 OE1 GLU A 52 16.297 2.356 1.817 1.00 0.00 O ATOM 761 OE2 GLU A 52 14.834 1.619 3.281 1.00 0.00 O ATOM 0 H GLU A 52 15.745 2.185 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 52 13.006 1.405 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 52 15.034 3.213 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.319 3.323 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.253 1.293 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.580 0.615 0.475 1.00 0.00 H new ATOM 768 N GLY A 53 12.044 3.242 -2.734 1.00 0.00 N ATOM 769 CA GLY A 53 11.471 4.295 -3.551 1.00 0.00 C ATOM 770 C GLY A 53 10.061 4.655 -3.130 1.00 0.00 C ATOM 771 O GLY A 53 9.405 3.893 -2.420 1.00 0.00 O ATOM 0 H GLY A 53 11.414 2.465 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.102 5.182 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.465 3.979 -4.594 1.00 0.00 H new ATOM 775 N TRP A 54 9.594 5.819 -3.566 1.00 0.00 N ATOM 776 CA TRP A 54 8.251 6.279 -3.227 1.00 0.00 C ATOM 777 C TRP A 54 7.238 5.814 -4.267 1.00 0.00 C ATOM 778 O TRP A 54 7.310 6.200 -5.434 1.00 0.00 O ATOM 779 CB TRP A 54 8.225 7.804 -3.118 1.00 0.00 C ATOM 780 CG TRP A 54 9.014 8.331 -1.957 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.350 8.613 -1.935 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.515 8.635 -0.650 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.712 9.075 -0.693 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.604 9.099 0.113 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.255 8.564 -0.051 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.469 9.487 1.443 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.122 8.949 1.269 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.223 9.406 2.005 1.00 0.00 C ATOM 0 H TRP A 54 10.124 6.462 -4.155 1.00 0.00 H new ATOM 0 HA TRP A 54 7.978 5.848 -2.264 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.618 8.234 -4.040 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.191 8.137 -3.026 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.023 8.491 -2.771 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.653 9.355 -0.416 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.400 8.214 -0.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.317 9.839 2.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.152 8.897 1.742 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.086 9.700 3.035 1.00 0.00 H new ATOM 799 N ALA A 55 6.294 4.983 -3.838 1.00 0.00 N ATOM 800 CA ALA A 55 5.265 4.467 -4.732 1.00 0.00 C ATOM 801 C ALA A 55 3.872 4.855 -4.248 1.00 0.00 C ATOM 802 O ALA A 55 3.613 4.962 -3.049 1.00 0.00 O ATOM 803 CB ALA A 55 5.382 2.955 -4.854 1.00 0.00 C ATOM 0 H ALA A 55 6.221 4.652 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 55 5.416 4.912 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.607 2.583 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.363 2.697 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.260 2.500 -3.871 1.00 0.00 H new ATOM 809 N PRO A 56 2.953 5.072 -5.200 1.00 0.00 N ATOM 810 CA PRO A 56 1.571 5.451 -4.894 1.00 0.00 C ATOM 811 C PRO A 56 0.784 4.312 -4.256 1.00 0.00 C ATOM 812 O PRO A 56 0.873 3.164 -4.692 1.00 0.00 O ATOM 813 CB PRO A 56 0.987 5.802 -6.265 1.00 0.00 C ATOM 814 CG PRO A 56 1.809 5.027 -7.236 1.00 0.00 C ATOM 815 CD PRO A 56 3.192 4.962 -6.649 1.00 0.00 C ATOM 0 HA PRO A 56 1.523 6.267 -4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.066 5.527 -6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.049 6.873 -6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.400 4.027 -7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.822 5.513 -8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.693 4.028 -6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.822 5.772 -7.015 1.00 0.00 H new ATOM 823 N SER A 57 0.014 4.636 -3.222 1.00 0.00 N ATOM 824 CA SER A 57 -0.786 3.638 -2.522 1.00 0.00 C ATOM 825 C SER A 57 -1.799 2.995 -3.465 1.00 0.00 C ATOM 826 O SER A 57 -2.161 1.829 -3.304 1.00 0.00 O ATOM 827 CB SER A 57 -1.511 4.275 -1.335 1.00 0.00 C ATOM 828 OG SER A 57 -2.522 5.166 -1.774 1.00 0.00 O ATOM 0 H SER A 57 -0.073 5.582 -2.851 1.00 0.00 H new ATOM 0 HA SER A 57 -0.114 2.863 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.953 3.496 -0.714 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.795 4.811 -0.712 1.00 0.00 H new ATOM 0 HG SER A 57 -2.972 5.559 -0.997 1.00 0.00 H new ATOM 834 N HIS A 58 -2.252 3.764 -4.450 1.00 0.00 N ATOM 835 CA HIS A 58 -3.223 3.270 -5.420 1.00 0.00 C ATOM 836 C HIS A 58 -2.725 1.990 -6.085 1.00 0.00 C ATOM 837 O HIS A 58 -3.505 1.080 -6.366 1.00 0.00 O ATOM 838 CB HIS A 58 -3.502 4.335 -6.482 1.00 0.00 C ATOM 839 CG HIS A 58 -3.656 5.714 -5.920 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.632 6.638 -5.899 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.725 6.327 -5.358 1.00 0.00 C ATOM 842 CE1 HIS A 58 -3.064 7.758 -5.347 1.00 0.00 C ATOM 843 NE2 HIS A 58 -4.331 7.595 -5.011 1.00 0.00 N ATOM 0 H HIS A 58 -1.963 4.731 -4.598 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.148 3.046 -4.889 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.688 4.336 -7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.410 4.068 -7.023 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.705 5.898 -5.210 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.481 8.654 -5.196 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.921 8.298 -4.566 1.00 0.00 H new ATOM 852 N TYR A 59 -1.422 1.928 -6.333 1.00 0.00 N ATOM 853 CA TYR A 59 -0.819 0.761 -6.968 1.00 0.00 C ATOM 854 C TYR A 59 -0.581 -0.350 -5.950 1.00 0.00 C ATOM 855 O TYR A 59 -0.443 -1.520 -6.311 1.00 0.00 O ATOM 856 CB TYR A 59 0.500 1.144 -7.640 1.00 0.00 C ATOM 857 CG TYR A 59 0.323 1.955 -8.904 1.00 0.00 C ATOM 858 CD1 TYR A 59 -0.290 3.201 -8.872 1.00 0.00 C ATOM 859 CD2 TYR A 59 0.768 1.475 -10.129 1.00 0.00 C ATOM 860 CE1 TYR A 59 -0.455 3.946 -10.024 1.00 0.00 C ATOM 861 CE2 TYR A 59 0.609 2.213 -11.286 1.00 0.00 C ATOM 862 CZ TYR A 59 -0.004 3.447 -11.229 1.00 0.00 C ATOM 863 OH TYR A 59 -0.165 4.185 -12.379 1.00 0.00 O ATOM 0 H TYR A 59 -0.762 2.672 -6.104 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.511 0.393 -7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.105 1.714 -6.935 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.055 0.236 -7.876 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.644 3.594 -7.930 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.247 0.508 -10.178 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.934 4.913 -9.982 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.963 1.826 -12.230 1.00 0.00 H new ATOM 0 HH TYR A 59 0.208 3.692 -13.139 1.00 0.00 H new ATOM 873 N LEU A 60 -0.534 0.024 -4.676 1.00 0.00 N ATOM 874 CA LEU A 60 -0.313 -0.940 -3.604 1.00 0.00 C ATOM 875 C LEU A 60 -1.639 -1.446 -3.044 1.00 0.00 C ATOM 876 O LEU A 60 -2.567 -0.668 -2.819 1.00 0.00 O ATOM 877 CB LEU A 60 0.517 -0.307 -2.485 1.00 0.00 C ATOM 878 CG LEU A 60 1.974 0.007 -2.827 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.622 0.810 -1.710 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.750 -1.276 -3.084 1.00 0.00 C ATOM 0 H LEU A 60 -0.646 0.987 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 60 0.233 -1.788 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.029 0.618 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.503 -0.977 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 60 1.993 0.607 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.659 1.025 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.081 1.746 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.592 0.236 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.785 -1.033 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.723 -1.902 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.299 -1.813 -3.918 1.00 0.00 H new ATOM 892 N VAL A 61 -1.721 -2.753 -2.820 1.00 0.00 N ATOM 893 CA VAL A 61 -2.932 -3.363 -2.283 1.00 0.00 C ATOM 894 C VAL A 61 -2.898 -3.403 -0.760 1.00 0.00 C ATOM 895 O VAL A 61 -1.903 -3.811 -0.160 1.00 0.00 O ATOM 896 CB VAL A 61 -3.125 -4.794 -2.819 1.00 0.00 C ATOM 897 CG1 VAL A 61 -4.406 -5.402 -2.270 1.00 0.00 C ATOM 898 CG2 VAL A 61 -3.134 -4.795 -4.341 1.00 0.00 C ATOM 0 H VAL A 61 -0.963 -3.411 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.769 -2.745 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.288 -5.406 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.525 -6.413 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.355 -5.436 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.257 -4.793 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.271 -5.814 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.951 -4.169 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.186 -4.403 -4.711 1.00 0.00 H new