USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 666 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 33 CYS SG : rot -16:sc= -0.486 USER MOD Set 1.2: A 81 CYS SG : rot 107:sc= 0.49 USER MOD Single : A 13 SER OG : rot 20:sc= 1.15 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -149:sc= -1.45! (180deg=-3.1!) USER MOD Single : A 21 CYS SG : rot 67:sc= 0.501 USER MOD Single : A 27 GLN : amide:sc= -3.76! C(o=-3.8!,f=-4.2!) USER MOD Single : A 32 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.1) USER MOD Single : A 34 SER OG : rot 170:sc= -0.257 USER MOD Single : A 38 THR OG1 : rot -12:sc= 0.983 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -1.2 F(o=-2.7,f=-1.2) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 53 GLN : amide:sc=-0.000386 X(o=-0.00039,f=0.0054) USER MOD Single : A 54 TYR OH : rot 165:sc= 1.19 USER MOD Single : A 57 SER OG : rot -170:sc= 0.074 USER MOD Single : A 58 THR OG1 : rot 43:sc= 0.0538 USER MOD Single : A 59 CYS SG : rot 22:sc= 0.156 USER MOD Single : A 67 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-0.8) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 76 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -4.02! C(o=-4!,f=-22!) USER MOD Single : A 89 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -100:sc= -0.423 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -15:sc= 0.253 USER MOD Single : A 99 HIS : no HE2:sc= -0.526 K(o=-0.53,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 18.786 -0.632 1.259 1.00 0.00 N ATOM 84 CA GLU A 9 17.405 -0.946 0.910 1.00 0.00 C ATOM 85 C GLU A 9 16.794 -1.912 1.921 1.00 0.00 C ATOM 86 O GLU A 9 17.509 -2.611 2.639 1.00 0.00 O ATOM 87 CB GLU A 9 17.336 -1.548 -0.495 1.00 0.00 C ATOM 88 CG GLU A 9 17.533 -0.530 -1.605 1.00 0.00 C ATOM 89 CD GLU A 9 17.972 -1.166 -2.909 1.00 0.00 C ATOM 90 OE1 GLU A 9 17.151 -1.875 -3.528 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.135 -0.955 -3.311 1.00 0.00 O ATOM 0 HA GLU A 9 16.832 -0.019 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.096 -2.324 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.369 -2.033 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.601 0.012 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.278 0.202 -1.293 1.00 0.00 H new ATOM 98 N VAL A 10 15.466 -1.945 1.971 1.00 0.00 N ATOM 99 CA VAL A 10 14.757 -2.825 2.892 1.00 0.00 C ATOM 100 C VAL A 10 13.635 -3.575 2.183 1.00 0.00 C ATOM 101 O VAL A 10 13.235 -3.212 1.077 1.00 0.00 O ATOM 102 CB VAL A 10 14.165 -2.037 4.076 1.00 0.00 C ATOM 103 CG1 VAL A 10 15.211 -1.840 5.163 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.615 -0.700 3.605 1.00 0.00 C ATOM 0 H VAL A 10 14.859 -1.372 1.384 1.00 0.00 H new ATOM 0 HA VAL A 10 15.486 -3.542 3.270 1.00 0.00 H new ATOM 0 HB VAL A 10 13.342 -2.614 4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.775 -1.281 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.552 -2.812 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.057 -1.285 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.201 -0.157 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.417 -0.114 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.832 -0.869 2.866 1.00 0.00 H new ATOM 114 N ALA A 11 13.132 -4.622 2.827 1.00 0.00 N ATOM 115 CA ALA A 11 12.054 -5.422 2.259 1.00 0.00 C ATOM 116 C ALA A 11 10.693 -4.803 2.560 1.00 0.00 C ATOM 117 O ALA A 11 10.529 -4.039 3.512 1.00 0.00 O ATOM 118 CB ALA A 11 12.117 -6.847 2.790 1.00 0.00 C ATOM 0 H ALA A 11 13.453 -4.936 3.743 1.00 0.00 H new ATOM 0 HA ALA A 11 12.183 -5.443 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.306 -7.433 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.073 -7.295 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.017 -6.836 3.875 1.00 0.00 H new ATOM 124 N PRO A 12 9.693 -5.139 1.732 1.00 0.00 N ATOM 125 CA PRO A 12 8.329 -4.626 1.890 1.00 0.00 C ATOM 126 C PRO A 12 7.633 -5.200 3.120 1.00 0.00 C ATOM 127 O PRO A 12 8.032 -6.241 3.641 1.00 0.00 O ATOM 128 CB PRO A 12 7.625 -5.091 0.613 1.00 0.00 C ATOM 129 CG PRO A 12 8.390 -6.292 0.174 1.00 0.00 C ATOM 130 CD PRO A 12 9.817 -6.044 0.577 1.00 0.00 C ATOM 0 HA PRO A 12 8.314 -3.545 2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.580 -5.335 0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.636 -4.313 -0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.003 -7.195 0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.308 -6.435 -0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.326 -6.970 0.845 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.389 -5.588 -0.231 1.00 0.00 H new ATOM 138 N SER A 13 6.591 -4.514 3.579 1.00 0.00 N ATOM 139 CA SER A 13 5.842 -4.954 4.750 1.00 0.00 C ATOM 140 C SER A 13 4.630 -4.058 4.987 1.00 0.00 C ATOM 141 O SER A 13 4.634 -2.880 4.628 1.00 0.00 O ATOM 142 CB SER A 13 6.742 -4.952 5.987 1.00 0.00 C ATOM 143 OG SER A 13 7.435 -6.181 6.115 1.00 0.00 O ATOM 0 H SER A 13 6.246 -3.651 3.158 1.00 0.00 H new ATOM 0 HA SER A 13 5.491 -5.970 4.567 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.458 -4.133 5.919 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.140 -4.776 6.878 1.00 0.00 H new ATOM 0 HG SER A 13 7.454 -6.638 5.248 1.00 0.00 H new ATOM 149 N PHE A 14 3.593 -4.625 5.596 1.00 0.00 N ATOM 150 CA PHE A 14 2.373 -3.879 5.881 1.00 0.00 C ATOM 151 C PHE A 14 2.303 -3.495 7.356 1.00 0.00 C ATOM 152 O PHE A 14 1.999 -4.326 8.211 1.00 0.00 O ATOM 153 CB PHE A 14 1.144 -4.706 5.499 1.00 0.00 C ATOM 154 CG PHE A 14 1.090 -5.060 4.040 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.840 -4.087 3.086 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.289 -6.366 3.623 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.789 -4.411 1.743 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.240 -6.696 2.282 1.00 0.00 C ATOM 159 CZ PHE A 14 0.990 -5.717 1.340 1.00 0.00 C ATOM 0 H PHE A 14 3.574 -5.598 5.901 1.00 0.00 H new ATOM 0 HA PHE A 14 2.387 -2.966 5.286 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.136 -5.623 6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.245 -4.149 5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.683 -3.064 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.485 -7.136 4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.592 -3.643 1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.397 -7.718 1.971 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.952 -5.972 0.291 1.00 0.00 H new ATOM 169 N SER A 15 2.586 -2.229 7.646 1.00 0.00 N ATOM 170 CA SER A 15 2.560 -1.735 9.017 1.00 0.00 C ATOM 171 C SER A 15 1.127 -1.638 9.533 1.00 0.00 C ATOM 172 O SER A 15 0.861 -1.886 10.708 1.00 0.00 O ATOM 173 CB SER A 15 3.238 -0.366 9.101 1.00 0.00 C ATOM 174 OG SER A 15 3.355 0.064 10.447 1.00 0.00 O ATOM 0 H SER A 15 2.836 -1.527 6.949 1.00 0.00 H new ATOM 0 HA SER A 15 3.106 -2.442 9.642 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.227 -0.418 8.645 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.663 0.364 8.532 1.00 0.00 H new ATOM 0 HG SER A 15 3.793 0.940 10.474 1.00 0.00 H new ATOM 180 N SER A 16 0.209 -1.275 8.643 1.00 0.00 N ATOM 181 CA SER A 16 -1.197 -1.141 9.007 1.00 0.00 C ATOM 182 C SER A 16 -2.089 -1.878 8.012 1.00 0.00 C ATOM 183 O SER A 16 -2.687 -1.267 7.127 1.00 0.00 O ATOM 184 CB SER A 16 -1.592 0.336 9.067 1.00 0.00 C ATOM 185 OG SER A 16 -0.840 1.025 10.051 1.00 0.00 O ATOM 0 H SER A 16 0.413 -1.069 7.665 1.00 0.00 H new ATOM 0 HA SER A 16 -1.336 -1.587 9.992 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.432 0.798 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.655 0.423 9.291 1.00 0.00 H new ATOM 0 HG SER A 16 -1.110 1.967 10.069 1.00 0.00 H new ATOM 191 N VAL A 17 -2.172 -3.196 8.165 1.00 0.00 N ATOM 192 CA VAL A 17 -2.990 -4.017 7.281 1.00 0.00 C ATOM 193 C VAL A 17 -4.446 -3.564 7.302 1.00 0.00 C ATOM 194 O VAL A 17 -4.919 -3.004 8.291 1.00 0.00 O ATOM 195 CB VAL A 17 -2.922 -5.505 7.675 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.483 -5.999 7.645 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.541 -5.721 9.047 1.00 0.00 C ATOM 0 H VAL A 17 -1.683 -3.717 8.893 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.589 -3.896 6.275 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.494 -6.083 6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.454 -7.052 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.078 -5.880 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.885 -5.419 8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.484 -6.777 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.998 -5.134 9.788 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.585 -5.407 9.029 1.00 0.00 H new ATOM 207 N LEU A 18 -5.152 -3.811 6.204 1.00 0.00 N ATOM 208 CA LEU A 18 -6.555 -3.429 6.095 1.00 0.00 C ATOM 209 C LEU A 18 -7.391 -4.112 7.173 1.00 0.00 C ATOM 210 O LEU A 18 -7.035 -5.183 7.663 1.00 0.00 O ATOM 211 CB LEU A 18 -7.096 -3.789 4.710 1.00 0.00 C ATOM 212 CG LEU A 18 -6.453 -3.062 3.528 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.579 -3.890 2.259 1.00 0.00 C ATOM 214 CD2 LEU A 18 -7.085 -1.691 3.337 1.00 0.00 C ATOM 0 H LEU A 18 -4.776 -4.274 5.377 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.624 -2.350 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.973 -4.862 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.167 -3.586 4.696 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.393 -2.925 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.116 -3.356 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.079 -4.848 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.633 -4.060 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.615 -1.188 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.152 -1.806 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.942 -1.096 4.239 1.00 0.00 H new ATOM 226 N LYS A 19 -8.505 -3.485 7.536 1.00 0.00 N ATOM 227 CA LYS A 19 -9.394 -4.033 8.553 1.00 0.00 C ATOM 228 C LYS A 19 -10.850 -3.953 8.103 1.00 0.00 C ATOM 229 O LYS A 19 -11.253 -2.997 7.441 1.00 0.00 O ATOM 230 CB LYS A 19 -9.216 -3.281 9.874 1.00 0.00 C ATOM 231 CG LYS A 19 -9.045 -1.782 9.703 1.00 0.00 C ATOM 232 CD LYS A 19 -8.293 -1.169 10.872 1.00 0.00 C ATOM 233 CE LYS A 19 -6.790 -1.349 10.724 1.00 0.00 C ATOM 234 NZ LYS A 19 -6.359 -2.729 11.082 1.00 0.00 N ATOM 0 H LYS A 19 -8.813 -2.597 7.141 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.134 -5.081 8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.082 -3.469 10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.346 -3.680 10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.507 -1.580 8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.024 -1.311 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.528 -0.107 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.626 -1.630 11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.498 -1.132 9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.274 -0.631 11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.397 -2.701 11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.011 -3.124 11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.367 -3.327 10.231 1.00 0.00 H new ATOM 248 N ASP A 20 -11.633 -4.961 8.469 1.00 0.00 N ATOM 249 CA ASP A 20 -13.045 -5.003 8.105 1.00 0.00 C ATOM 250 C ASP A 20 -13.652 -3.604 8.122 1.00 0.00 C ATOM 251 O ASP A 20 -13.306 -2.776 8.965 1.00 0.00 O ATOM 252 CB ASP A 20 -13.813 -5.917 9.062 1.00 0.00 C ATOM 253 CG ASP A 20 -13.016 -7.146 9.453 1.00 0.00 C ATOM 254 OD1 ASP A 20 -12.883 -8.059 8.611 1.00 0.00 O ATOM 255 OD2 ASP A 20 -12.527 -7.196 10.601 1.00 0.00 O ATOM 0 H ASP A 20 -11.315 -5.760 9.017 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.123 -5.401 7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.077 -5.358 9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.747 -6.227 8.593 1.00 0.00 H new ATOM 260 N CYS A 21 -14.558 -3.347 7.185 1.00 0.00 N ATOM 261 CA CYS A 21 -15.213 -2.047 7.090 1.00 0.00 C ATOM 262 C CYS A 21 -16.629 -2.190 6.543 1.00 0.00 C ATOM 263 O CYS A 21 -16.955 -3.179 5.887 1.00 0.00 O ATOM 264 CB CYS A 21 -14.400 -1.108 6.198 1.00 0.00 C ATOM 265 SG CYS A 21 -13.015 -0.305 7.039 1.00 0.00 S ATOM 0 H CYS A 21 -14.856 -4.022 6.480 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.272 -1.623 8.092 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -14.017 -1.673 5.348 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -15.062 -0.340 5.798 1.00 0.00 H new ATOM 0 HG CYS A 21 -12.123 -1.197 7.354 1.00 0.00 H new ATOM 271 N ALA A 22 -17.467 -1.196 6.818 1.00 0.00 N ATOM 272 CA ALA A 22 -18.849 -1.211 6.353 1.00 0.00 C ATOM 273 C ALA A 22 -19.207 0.096 5.654 1.00 0.00 C ATOM 274 O ALA A 22 -18.655 1.151 5.968 1.00 0.00 O ATOM 275 CB ALA A 22 -19.795 -1.466 7.517 1.00 0.00 C ATOM 0 H ALA A 22 -17.213 -0.370 7.360 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.954 -2.020 5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.823 -1.475 7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.562 -2.429 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.678 -0.677 8.260 1.00 0.00 H new ATOM 281 N VAL A 23 -20.133 0.020 4.704 1.00 0.00 N ATOM 282 CA VAL A 23 -20.565 1.197 3.960 1.00 0.00 C ATOM 283 C VAL A 23 -22.009 1.053 3.492 1.00 0.00 C ATOM 284 O VAL A 23 -22.508 -0.060 3.322 1.00 0.00 O ATOM 285 CB VAL A 23 -19.663 1.451 2.738 1.00 0.00 C ATOM 286 CG1 VAL A 23 -20.111 0.601 1.558 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.665 2.928 2.372 1.00 0.00 C ATOM 0 H VAL A 23 -20.599 -0.845 4.431 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.490 2.046 4.640 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.643 1.165 2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.462 0.794 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -20.053 -0.454 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -21.139 0.853 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.022 3.089 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.681 3.242 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.293 3.512 3.214 1.00 0.00 H new ATOM 297 N ILE A 24 -22.674 2.185 3.285 1.00 0.00 N ATOM 298 CA ILE A 24 -24.060 2.184 2.835 1.00 0.00 C ATOM 299 C ILE A 24 -24.149 2.399 1.328 1.00 0.00 C ATOM 300 O ILE A 24 -23.280 3.033 0.730 1.00 0.00 O ATOM 301 CB ILE A 24 -24.884 3.273 3.547 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.182 2.857 4.989 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.176 3.540 2.789 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.656 3.998 5.862 1.00 0.00 C ATOM 0 H ILE A 24 -22.275 3.114 3.422 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.472 1.206 3.085 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.301 4.194 3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -25.941 2.075 4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -24.282 2.425 5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.747 4.312 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -25.942 3.875 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.765 2.624 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.848 3.630 6.870 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -24.889 4.771 5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -26.573 4.416 5.448 1.00 0.00 H new ATOM 316 N GLU A 25 -25.206 1.868 0.721 1.00 0.00 N ATOM 317 CA GLU A 25 -25.408 2.003 -0.717 1.00 0.00 C ATOM 318 C GLU A 25 -25.436 3.473 -1.126 1.00 0.00 C ATOM 319 O GLU A 25 -26.368 4.204 -0.793 1.00 0.00 O ATOM 320 CB GLU A 25 -26.711 1.320 -1.137 1.00 0.00 C ATOM 321 CG GLU A 25 -26.830 1.108 -2.637 1.00 0.00 C ATOM 322 CD GLU A 25 -28.268 0.944 -3.091 1.00 0.00 C ATOM 323 OE1 GLU A 25 -29.115 1.765 -2.680 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.545 -0.003 -3.855 1.00 0.00 O ATOM 0 H GLU A 25 -25.935 1.341 1.202 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.573 1.519 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.784 0.355 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.553 1.922 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.383 1.956 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -26.260 0.224 -2.922 1.00 0.00 H new ATOM 331 N GLY A 26 -24.406 3.899 -1.851 1.00 0.00 N ATOM 332 CA GLY A 26 -24.331 5.279 -2.294 1.00 0.00 C ATOM 333 C GLY A 26 -23.314 6.085 -1.510 1.00 0.00 C ATOM 334 O GLY A 26 -23.011 7.224 -1.863 1.00 0.00 O ATOM 0 H GLY A 26 -23.622 3.313 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.072 5.304 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.312 5.743 -2.195 1.00 0.00 H new ATOM 338 N GLN A 27 -22.787 5.493 -0.444 1.00 0.00 N ATOM 339 CA GLN A 27 -21.800 6.165 0.393 1.00 0.00 C ATOM 340 C GLN A 27 -20.406 6.058 -0.216 1.00 0.00 C ATOM 341 O GLN A 27 -20.233 5.499 -1.299 1.00 0.00 O ATOM 342 CB GLN A 27 -21.801 5.566 1.801 1.00 0.00 C ATOM 343 CG GLN A 27 -22.858 6.165 2.716 1.00 0.00 C ATOM 344 CD GLN A 27 -22.620 5.835 4.176 1.00 0.00 C ATOM 345 OE1 GLN A 27 -21.641 5.174 4.524 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.516 6.296 5.041 1.00 0.00 N ATOM 0 H GLN A 27 -23.027 4.550 -0.139 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.070 7.219 0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.962 4.490 1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.819 5.712 2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -22.871 7.248 2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -23.840 5.797 2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.313 6.840 4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.408 6.106 6.037 1.00 0.00 H new ATOM 355 N ASP A 28 -19.416 6.598 0.486 1.00 0.00 N ATOM 356 CA ASP A 28 -18.036 6.562 0.014 1.00 0.00 C ATOM 357 C ASP A 28 -17.119 5.941 1.063 1.00 0.00 C ATOM 358 O ASP A 28 -17.433 5.938 2.254 1.00 0.00 O ATOM 359 CB ASP A 28 -17.556 7.973 -0.330 1.00 0.00 C ATOM 360 CG ASP A 28 -16.049 8.055 -0.465 1.00 0.00 C ATOM 361 OD1 ASP A 28 -15.465 7.177 -1.133 1.00 0.00 O ATOM 362 OD2 ASP A 28 -15.452 8.996 0.099 1.00 0.00 O ATOM 0 H ASP A 28 -19.543 7.066 1.384 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.001 5.945 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.019 8.294 -1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.887 8.665 0.445 1.00 0.00 H new ATOM 367 N PHE A 29 -15.985 5.416 0.613 1.00 0.00 N ATOM 368 CA PHE A 29 -15.022 4.790 1.513 1.00 0.00 C ATOM 369 C PHE A 29 -13.671 4.614 0.826 1.00 0.00 C ATOM 370 O PHE A 29 -13.596 4.147 -0.311 1.00 0.00 O ATOM 371 CB PHE A 29 -15.546 3.433 1.989 1.00 0.00 C ATOM 372 CG PHE A 29 -15.402 2.342 0.967 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.156 1.815 0.667 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.513 1.845 0.305 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.022 0.812 -0.274 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.385 0.841 -0.637 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.138 0.323 -0.926 1.00 0.00 C ATOM 0 H PHE A 29 -15.710 5.411 -0.369 1.00 0.00 H new ATOM 0 HA PHE A 29 -14.889 5.443 2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.013 3.144 2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.598 3.532 2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.280 2.192 1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.491 2.247 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.045 0.410 -0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.259 0.462 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.035 -0.463 -1.660 1.00 0.00 H new ATOM 387 N VAL A 30 -12.605 4.992 1.525 1.00 0.00 N ATOM 388 CA VAL A 30 -11.256 4.876 0.984 1.00 0.00 C ATOM 389 C VAL A 30 -10.373 4.023 1.889 1.00 0.00 C ATOM 390 O VAL A 30 -9.862 4.499 2.903 1.00 0.00 O ATOM 391 CB VAL A 30 -10.603 6.259 0.804 1.00 0.00 C ATOM 392 CG1 VAL A 30 -10.587 7.018 2.122 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.196 6.114 0.245 1.00 0.00 C ATOM 0 H VAL A 30 -12.650 5.381 2.467 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.345 4.395 0.010 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.196 6.832 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.122 7.993 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.609 7.153 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.019 6.453 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.749 7.101 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.591 5.523 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.239 5.614 -0.723 1.00 0.00 H new ATOM 403 N LEU A 31 -10.198 2.761 1.515 1.00 0.00 N ATOM 404 CA LEU A 31 -9.375 1.840 2.293 1.00 0.00 C ATOM 405 C LEU A 31 -7.956 2.377 2.448 1.00 0.00 C ATOM 406 O LEU A 31 -7.204 2.460 1.478 1.00 0.00 O ATOM 407 CB LEU A 31 -9.342 0.465 1.623 1.00 0.00 C ATOM 408 CG LEU A 31 -10.683 -0.263 1.519 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.682 -1.216 0.334 1.00 0.00 C ATOM 410 CD2 LEU A 31 -10.984 -1.013 2.808 1.00 0.00 C ATOM 0 H LEU A 31 -10.614 2.351 0.679 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.818 1.744 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.936 0.582 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.649 -0.170 2.175 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.466 0.479 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.644 -1.725 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.513 -0.654 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.889 -1.953 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.942 -1.525 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.198 -1.745 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.028 -0.307 3.638 1.00 0.00 H new ATOM 422 N GLN A 32 -7.597 2.737 3.676 1.00 0.00 N ATOM 423 CA GLN A 32 -6.267 3.265 3.958 1.00 0.00 C ATOM 424 C GLN A 32 -5.400 2.215 4.646 1.00 0.00 C ATOM 425 O GLN A 32 -5.841 1.550 5.585 1.00 0.00 O ATOM 426 CB GLN A 32 -6.366 4.515 4.834 1.00 0.00 C ATOM 427 CG GLN A 32 -5.038 5.228 5.030 1.00 0.00 C ATOM 428 CD GLN A 32 -5.116 6.336 6.060 1.00 0.00 C ATOM 429 OE1 GLN A 32 -6.182 6.612 6.613 1.00 0.00 O ATOM 430 NE2 GLN A 32 -3.986 6.980 6.325 1.00 0.00 N ATOM 0 H GLN A 32 -8.207 2.673 4.491 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.801 3.531 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.078 5.208 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.766 4.235 5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.283 4.504 5.338 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.710 5.645 4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.125 6.719 5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.978 7.736 7.010 1.00 0.00 H new ATOM 439 N CYS A 33 -4.167 2.071 4.173 1.00 0.00 N ATOM 440 CA CYS A 33 -3.238 1.101 4.743 1.00 0.00 C ATOM 441 C CYS A 33 -1.814 1.645 4.740 1.00 0.00 C ATOM 442 O CYS A 33 -1.504 2.597 4.023 1.00 0.00 O ATOM 443 CB CYS A 33 -3.297 -0.212 3.960 1.00 0.00 C ATOM 444 SG CYS A 33 -3.089 -0.017 2.175 1.00 0.00 S ATOM 0 H CYS A 33 -3.787 2.613 3.397 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.534 0.914 5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.522 -0.881 4.334 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.255 -0.695 4.153 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.269 1.229 1.851 1.00 0.00 H new ATOM 450 N SER A 34 -0.952 1.037 5.548 1.00 0.00 N ATOM 451 CA SER A 34 0.439 1.464 5.643 1.00 0.00 C ATOM 452 C SER A 34 1.374 0.402 5.073 1.00 0.00 C ATOM 453 O SER A 34 1.418 -0.729 5.558 1.00 0.00 O ATOM 454 CB SER A 34 0.807 1.755 7.099 1.00 0.00 C ATOM 455 OG SER A 34 2.120 2.280 7.199 1.00 0.00 O ATOM 0 H SER A 34 -1.192 0.247 6.147 1.00 0.00 H new ATOM 0 HA SER A 34 0.554 2.376 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.095 2.464 7.522 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.732 0.840 7.686 1.00 0.00 H new ATOM 0 HG SER A 34 2.273 2.607 8.110 1.00 0.00 H new ATOM 461 N VAL A 35 2.122 0.774 4.039 1.00 0.00 N ATOM 462 CA VAL A 35 3.057 -0.145 3.402 1.00 0.00 C ATOM 463 C VAL A 35 4.459 0.451 3.343 1.00 0.00 C ATOM 464 O VAL A 35 4.692 1.453 2.666 1.00 0.00 O ATOM 465 CB VAL A 35 2.605 -0.506 1.974 1.00 0.00 C ATOM 466 CG1 VAL A 35 3.392 -1.698 1.450 1.00 0.00 C ATOM 467 CG2 VAL A 35 1.111 -0.790 1.945 1.00 0.00 C ATOM 0 H VAL A 35 2.098 1.706 3.625 1.00 0.00 H new ATOM 0 HA VAL A 35 3.075 -1.050 4.010 1.00 0.00 H new ATOM 0 HB VAL A 35 2.803 0.345 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.059 -1.938 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.454 -1.454 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.227 -2.557 2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.808 -1.043 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.886 -1.625 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.566 0.094 2.276 1.00 0.00 H new ATOM 477 N ARG A 36 5.391 -0.172 4.057 1.00 0.00 N ATOM 478 CA ARG A 36 6.771 0.297 4.087 1.00 0.00 C ATOM 479 C ARG A 36 7.632 -0.481 3.095 1.00 0.00 C ATOM 480 O ARG A 36 7.142 -1.362 2.391 1.00 0.00 O ATOM 481 CB ARG A 36 7.349 0.158 5.497 1.00 0.00 C ATOM 482 CG ARG A 36 6.784 1.162 6.488 1.00 0.00 C ATOM 483 CD ARG A 36 7.606 2.441 6.516 1.00 0.00 C ATOM 484 NE ARG A 36 9.010 2.182 6.824 1.00 0.00 N ATOM 485 CZ ARG A 36 9.963 3.103 6.738 1.00 0.00 C ATOM 486 NH1 ARG A 36 9.665 4.337 6.355 1.00 0.00 N ATOM 487 NH2 ARG A 36 11.218 2.791 7.035 1.00 0.00 N ATOM 0 H ARG A 36 5.215 -1.003 4.622 1.00 0.00 H new ATOM 0 HA ARG A 36 6.777 1.349 3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.154 -0.850 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.432 0.276 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.753 1.397 6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.764 0.720 7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.533 2.940 5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.191 3.122 7.259 1.00 0.00 H new ATOM 0 HE ARG A 36 9.273 1.242 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.702 4.581 6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.399 5.042 6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.452 1.843 7.330 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.949 3.499 6.969 1.00 0.00 H new ATOM 501 N GLY A 37 8.918 -0.146 3.045 1.00 0.00 N ATOM 502 CA GLY A 37 9.825 -0.821 2.136 1.00 0.00 C ATOM 503 C GLY A 37 10.730 0.144 1.397 1.00 0.00 C ATOM 504 O GLY A 37 10.500 1.354 1.406 1.00 0.00 O ATOM 0 H GLY A 37 9.347 0.581 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.435 -1.530 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.248 -1.398 1.414 1.00 0.00 H new ATOM 508 N THR A 38 11.765 -0.390 0.756 1.00 0.00 N ATOM 509 CA THR A 38 12.710 0.432 0.011 1.00 0.00 C ATOM 510 C THR A 38 13.476 -0.399 -1.012 1.00 0.00 C ATOM 511 O THR A 38 14.123 -1.392 -0.680 1.00 0.00 O ATOM 512 CB THR A 38 13.716 1.123 0.950 1.00 0.00 C ATOM 513 OG1 THR A 38 13.028 2.022 1.828 1.00 0.00 O ATOM 514 CG2 THR A 38 14.764 1.886 0.154 1.00 0.00 C ATOM 0 H THR A 38 11.970 -1.389 0.738 1.00 0.00 H new ATOM 0 HA THR A 38 12.126 1.193 -0.507 1.00 0.00 H new ATOM 0 HB THR A 38 14.218 0.354 1.538 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.107 2.143 1.516 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.463 2.366 0.839 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.305 1.194 -0.492 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.276 2.646 -0.456 1.00 0.00 H new ATOM 522 N PRO A 39 13.402 0.014 -2.286 1.00 0.00 N ATOM 523 CA PRO A 39 12.634 1.194 -2.693 1.00 0.00 C ATOM 524 C PRO A 39 11.129 0.975 -2.574 1.00 0.00 C ATOM 525 O PRO A 39 10.674 -0.128 -2.273 1.00 0.00 O ATOM 526 CB PRO A 39 13.032 1.389 -4.158 1.00 0.00 C ATOM 527 CG PRO A 39 13.446 0.035 -4.621 1.00 0.00 C ATOM 528 CD PRO A 39 14.063 -0.640 -3.428 1.00 0.00 C ATOM 0 HA PRO A 39 12.847 2.057 -2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.198 1.771 -4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.847 2.107 -4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.590 -0.530 -4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.159 0.105 -5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.881 -1.715 -3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.144 -0.500 -3.401 1.00 0.00 H new ATOM 536 N VAL A 40 10.361 2.033 -2.813 1.00 0.00 N ATOM 537 CA VAL A 40 8.907 1.956 -2.735 1.00 0.00 C ATOM 538 C VAL A 40 8.372 0.799 -3.570 1.00 0.00 C ATOM 539 O VAL A 40 8.616 0.705 -4.774 1.00 0.00 O ATOM 540 CB VAL A 40 8.250 3.265 -3.210 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.734 3.146 -3.171 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.722 4.437 -2.363 1.00 0.00 C ATOM 0 H VAL A 40 10.722 2.954 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 40 8.654 1.791 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 40 8.551 3.448 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.287 4.080 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.416 2.334 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.411 2.939 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.247 5.354 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.453 4.264 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.804 4.534 -2.447 1.00 0.00 H new ATOM 552 N PRO A 41 7.625 -0.105 -2.920 1.00 0.00 N ATOM 553 CA PRO A 41 7.039 -1.273 -3.584 1.00 0.00 C ATOM 554 C PRO A 41 5.917 -0.891 -4.543 1.00 0.00 C ATOM 555 O PRO A 41 5.499 0.265 -4.597 1.00 0.00 O ATOM 556 CB PRO A 41 6.489 -2.103 -2.421 1.00 0.00 C ATOM 557 CG PRO A 41 6.237 -1.114 -1.336 1.00 0.00 C ATOM 558 CD PRO A 41 7.295 -0.056 -1.486 1.00 0.00 C ATOM 0 HA PRO A 41 7.769 -1.803 -4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.573 -2.623 -2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.203 -2.864 -2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.239 -0.684 -1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.294 -1.587 -0.356 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.925 0.926 -1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.166 -0.268 -0.866 1.00 0.00 H new ATOM 566 N ARG A 42 5.433 -1.871 -5.300 1.00 0.00 N ATOM 567 CA ARG A 42 4.360 -1.637 -6.258 1.00 0.00 C ATOM 568 C ARG A 42 2.995 -1.846 -5.608 1.00 0.00 C ATOM 569 O ARG A 42 2.791 -2.806 -4.864 1.00 0.00 O ATOM 570 CB ARG A 42 4.510 -2.569 -7.463 1.00 0.00 C ATOM 571 CG ARG A 42 5.413 -2.014 -8.552 1.00 0.00 C ATOM 572 CD ARG A 42 6.874 -2.037 -8.131 1.00 0.00 C ATOM 573 NE ARG A 42 7.775 -1.876 -9.269 1.00 0.00 N ATOM 574 CZ ARG A 42 9.089 -2.054 -9.197 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.653 -2.396 -8.047 1.00 0.00 N ATOM 576 NH2 ARG A 42 9.843 -1.890 -10.277 1.00 0.00 N ATOM 0 H ARG A 42 5.767 -2.834 -5.268 1.00 0.00 H new ATOM 0 HA ARG A 42 4.429 -0.603 -6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.908 -3.526 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.524 -2.765 -7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.287 -2.598 -9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.117 -0.991 -8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.056 -1.240 -7.409 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.091 -2.979 -7.627 1.00 0.00 H new ATOM 0 HE ARG A 42 7.373 -1.612 -10.169 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.077 -2.523 -7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.663 -2.532 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.413 -1.627 -11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.852 -2.027 -10.220 1.00 0.00 H new ATOM 590 N ILE A 43 2.065 -0.941 -5.894 1.00 0.00 N ATOM 591 CA ILE A 43 0.720 -1.027 -5.338 1.00 0.00 C ATOM 592 C ILE A 43 -0.261 -1.597 -6.356 1.00 0.00 C ATOM 593 O ILE A 43 -0.579 -0.953 -7.357 1.00 0.00 O ATOM 594 CB ILE A 43 0.215 0.351 -4.870 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.337 1.118 -4.167 1.00 0.00 C ATOM 596 CG2 ILE A 43 -0.984 0.191 -3.948 1.00 0.00 C ATOM 597 CD1 ILE A 43 2.002 0.333 -3.058 1.00 0.00 C ATOM 0 H ILE A 43 2.218 -0.140 -6.507 1.00 0.00 H new ATOM 0 HA ILE A 43 0.776 -1.695 -4.479 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.098 0.923 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.090 1.401 -4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.932 2.042 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.329 1.174 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.787 -0.319 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.697 -0.396 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.787 0.938 -2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.261 0.073 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.437 -0.578 -3.468 1.00 0.00 H new ATOM 609 N THR A 44 -0.741 -2.809 -6.094 1.00 0.00 N ATOM 610 CA THR A 44 -1.687 -3.466 -6.987 1.00 0.00 C ATOM 611 C THR A 44 -2.918 -3.946 -6.227 1.00 0.00 C ATOM 612 O THR A 44 -2.833 -4.855 -5.402 1.00 0.00 O ATOM 613 CB THR A 44 -1.041 -4.665 -7.706 1.00 0.00 C ATOM 614 OG1 THR A 44 0.064 -4.222 -8.502 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.055 -5.378 -8.588 1.00 0.00 C ATOM 0 H THR A 44 -0.490 -3.355 -5.270 1.00 0.00 H new ATOM 0 HA THR A 44 -1.987 -2.726 -7.729 1.00 0.00 H new ATOM 0 HB THR A 44 -0.686 -5.365 -6.950 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.470 -4.991 -8.954 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.575 -6.221 -9.085 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.880 -5.740 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.437 -4.684 -9.337 1.00 0.00 H new ATOM 623 N TRP A 45 -4.060 -3.331 -6.511 1.00 0.00 N ATOM 624 CA TRP A 45 -5.309 -3.697 -5.854 1.00 0.00 C ATOM 625 C TRP A 45 -6.115 -4.662 -6.716 1.00 0.00 C ATOM 626 O TRP A 45 -6.274 -4.452 -7.919 1.00 0.00 O ATOM 627 CB TRP A 45 -6.138 -2.446 -5.555 1.00 0.00 C ATOM 628 CG TRP A 45 -5.464 -1.499 -4.609 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.428 -0.656 -4.893 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.778 -1.300 -3.227 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.079 0.055 -3.770 1.00 0.00 N ATOM 632 CE2 TRP A 45 -4.893 -0.321 -2.735 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.723 -1.852 -2.357 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -4.925 0.114 -1.413 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.753 -1.419 -1.045 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.860 -0.443 -0.583 1.00 0.00 C ATOM 0 H TRP A 45 -4.147 -2.577 -7.192 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.065 -4.195 -4.916 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.348 -1.926 -6.490 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.098 -2.747 -5.135 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.953 -0.562 -5.858 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.334 0.750 -3.716 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.417 -2.603 -2.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.236 0.865 -1.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.477 -1.840 -0.364 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.910 -0.124 0.448 1.00 0.00 H new ATOM 647 N LEU A 46 -6.623 -5.721 -6.094 1.00 0.00 N ATOM 648 CA LEU A 46 -7.414 -6.719 -6.805 1.00 0.00 C ATOM 649 C LEU A 46 -8.689 -7.051 -6.038 1.00 0.00 C ATOM 650 O LEU A 46 -8.678 -7.160 -4.811 1.00 0.00 O ATOM 651 CB LEU A 46 -6.591 -7.989 -7.024 1.00 0.00 C ATOM 652 CG LEU A 46 -5.126 -7.782 -7.410 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.260 -7.650 -6.167 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.637 -8.928 -8.284 1.00 0.00 C ATOM 0 H LEU A 46 -6.501 -5.910 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.693 -6.303 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.625 -8.582 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.072 -8.579 -7.804 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.048 -6.857 -7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.221 -7.503 -6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.595 -6.795 -5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.343 -8.557 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.593 -8.764 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.729 -9.867 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.238 -8.975 -9.192 1.00 0.00 H new ATOM 666 N LEU A 47 -9.788 -7.214 -6.767 1.00 0.00 N ATOM 667 CA LEU A 47 -11.072 -7.537 -6.155 1.00 0.00 C ATOM 668 C LEU A 47 -11.624 -8.847 -6.708 1.00 0.00 C ATOM 669 O LEU A 47 -11.854 -8.977 -7.909 1.00 0.00 O ATOM 670 CB LEU A 47 -12.073 -6.406 -6.396 1.00 0.00 C ATOM 671 CG LEU A 47 -13.394 -6.504 -5.632 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.188 -6.163 -4.165 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.438 -5.588 -6.253 1.00 0.00 C ATOM 0 H LEU A 47 -9.815 -7.128 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.917 -7.654 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.594 -5.462 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.295 -6.366 -7.462 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.755 -7.530 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.139 -6.238 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.473 -6.860 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.804 -5.147 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.372 -5.671 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.085 -4.557 -6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.607 -5.879 -7.290 1.00 0.00 H new ATOM 685 N ASN A 48 -11.838 -9.814 -5.821 1.00 0.00 N ATOM 686 CA ASN A 48 -12.365 -11.113 -6.220 1.00 0.00 C ATOM 687 C ASN A 48 -11.307 -11.926 -6.959 1.00 0.00 C ATOM 688 O ASN A 48 -11.620 -12.686 -7.875 1.00 0.00 O ATOM 689 CB ASN A 48 -13.600 -10.936 -7.106 1.00 0.00 C ATOM 690 CG ASN A 48 -14.540 -9.869 -6.581 1.00 0.00 C ATOM 691 OD1 ASN A 48 -14.620 -9.749 -5.261 1.00 0.00 O flip ATOM 692 ND2 ASN A 48 -15.187 -9.161 -7.353 1.00 0.00 N flip ATOM 0 H ASN A 48 -11.654 -9.722 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.649 -11.655 -5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.285 -10.674 -8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.133 -11.884 -7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.094 -9.288 -8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.816 -8.447 -6.985 1.00 0.00 H new ATOM 699 N GLY A 49 -10.051 -11.761 -6.554 1.00 0.00 N ATOM 700 CA GLY A 49 -8.966 -12.486 -7.188 1.00 0.00 C ATOM 701 C GLY A 49 -8.443 -11.783 -8.425 1.00 0.00 C ATOM 702 O GLY A 49 -7.281 -11.948 -8.795 1.00 0.00 O ATOM 0 H GLY A 49 -9.766 -11.138 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.152 -12.612 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.310 -13.484 -7.459 1.00 0.00 H new ATOM 706 N GLN A 50 -9.304 -10.998 -9.065 1.00 0.00 N ATOM 707 CA GLN A 50 -8.922 -10.269 -10.269 1.00 0.00 C ATOM 708 C GLN A 50 -8.560 -8.824 -9.939 1.00 0.00 C ATOM 709 O GLN A 50 -9.072 -8.232 -8.988 1.00 0.00 O ATOM 710 CB GLN A 50 -10.058 -10.302 -11.292 1.00 0.00 C ATOM 711 CG GLN A 50 -11.345 -9.664 -10.793 1.00 0.00 C ATOM 712 CD GLN A 50 -12.235 -9.185 -11.923 1.00 0.00 C ATOM 713 OE1 GLN A 50 -11.803 -8.425 -12.790 1.00 0.00 O ATOM 714 NE2 GLN A 50 -13.487 -9.629 -11.920 1.00 0.00 N ATOM 0 H GLN A 50 -10.269 -10.851 -8.770 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.045 -10.756 -10.695 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.735 -9.789 -12.198 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.258 -11.338 -11.567 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.892 -10.385 -10.186 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.101 -8.822 -10.145 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.803 -10.258 -11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.132 -9.341 -12.656 1.00 0.00 H new ATOM 723 N PRO A 51 -7.657 -8.241 -10.741 1.00 0.00 N ATOM 724 CA PRO A 51 -7.207 -6.859 -10.554 1.00 0.00 C ATOM 725 C PRO A 51 -8.298 -5.845 -10.882 1.00 0.00 C ATOM 726 O PRO A 51 -9.159 -6.097 -11.725 1.00 0.00 O ATOM 727 CB PRO A 51 -6.042 -6.729 -11.539 1.00 0.00 C ATOM 728 CG PRO A 51 -6.320 -7.746 -12.591 1.00 0.00 C ATOM 729 CD PRO A 51 -7.006 -8.887 -11.893 1.00 0.00 C ATOM 0 HA PRO A 51 -6.932 -6.656 -9.519 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.991 -5.726 -11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.087 -6.917 -11.049 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.952 -7.332 -13.376 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.397 -8.078 -13.067 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.732 -9.377 -12.542 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.295 -9.650 -11.577 1.00 0.00 H new ATOM 737 N ILE A 52 -8.255 -4.699 -10.212 1.00 0.00 N ATOM 738 CA ILE A 52 -9.239 -3.646 -10.435 1.00 0.00 C ATOM 739 C ILE A 52 -8.786 -2.694 -11.536 1.00 0.00 C ATOM 740 O ILE A 52 -7.825 -1.945 -11.365 1.00 0.00 O ATOM 741 CB ILE A 52 -9.500 -2.839 -9.150 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.913 -3.773 -8.010 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.571 -1.787 -9.394 1.00 0.00 C ATOM 744 CD1 ILE A 52 -10.309 -3.045 -6.745 1.00 0.00 C ATOM 0 H ILE A 52 -7.550 -4.475 -9.510 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.163 -4.137 -10.740 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.579 -2.332 -8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.749 -4.390 -8.341 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.087 -4.448 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.744 -1.225 -8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.241 -1.107 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.496 -2.274 -9.701 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.589 -3.770 -5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.468 -2.450 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.155 -2.390 -6.952 1.00 0.00 H new ATOM 756 N GLN A 53 -9.486 -2.728 -12.666 1.00 0.00 N ATOM 757 CA GLN A 53 -9.156 -1.867 -13.795 1.00 0.00 C ATOM 758 C GLN A 53 -9.479 -0.410 -13.481 1.00 0.00 C ATOM 759 O GLN A 53 -8.770 0.500 -13.912 1.00 0.00 O ATOM 760 CB GLN A 53 -9.918 -2.313 -15.044 1.00 0.00 C ATOM 761 CG GLN A 53 -9.660 -1.437 -16.259 1.00 0.00 C ATOM 762 CD GLN A 53 -8.245 -1.572 -16.786 1.00 0.00 C ATOM 763 OE1 GLN A 53 -7.385 -0.735 -16.509 1.00 0.00 O ATOM 764 NE2 GLN A 53 -7.996 -2.629 -17.550 1.00 0.00 N ATOM 0 H GLN A 53 -10.285 -3.342 -12.823 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.085 -1.951 -13.982 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.640 -3.340 -15.281 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.986 -2.313 -14.827 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.364 -1.700 -17.048 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.849 -0.396 -15.998 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.739 -3.297 -17.754 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.062 -2.773 -17.933 1.00 0.00 H new ATOM 773 N TYR A 54 -10.552 -0.196 -12.728 1.00 0.00 N ATOM 774 CA TYR A 54 -10.970 1.151 -12.359 1.00 0.00 C ATOM 775 C TYR A 54 -10.599 1.459 -10.911 1.00 0.00 C ATOM 776 O TYR A 54 -11.403 2.002 -10.154 1.00 0.00 O ATOM 777 CB TYR A 54 -12.479 1.311 -12.555 1.00 0.00 C ATOM 778 CG TYR A 54 -13.300 0.294 -11.794 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.483 -0.991 -12.289 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.891 0.619 -10.579 1.00 0.00 C ATOM 781 CE1 TYR A 54 -14.232 -1.923 -11.597 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.642 -0.307 -9.880 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.810 -1.576 -10.393 1.00 0.00 C ATOM 784 OH TYR A 54 -15.556 -2.502 -9.701 1.00 0.00 O ATOM 0 H TYR A 54 -11.148 -0.938 -12.361 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.449 1.856 -13.007 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.774 2.312 -12.240 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.710 1.230 -13.617 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -13.032 -1.266 -13.231 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.761 1.612 -10.174 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.364 -2.918 -11.996 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -15.095 -0.038 -8.937 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.689 -2.193 -8.781 1.00 0.00 H new ATOM 794 N ALA A 55 -9.374 1.108 -10.534 1.00 0.00 N ATOM 795 CA ALA A 55 -8.893 1.348 -9.179 1.00 0.00 C ATOM 796 C ALA A 55 -7.987 2.573 -9.128 1.00 0.00 C ATOM 797 O ALA A 55 -6.801 2.494 -9.452 1.00 0.00 O ATOM 798 CB ALA A 55 -8.159 0.123 -8.654 1.00 0.00 C ATOM 0 H ALA A 55 -8.696 0.656 -11.148 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.756 1.540 -8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.806 0.317 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.836 -0.731 -8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.308 -0.096 -9.299 1.00 0.00 H new ATOM 804 N ARG A 56 -8.551 3.705 -8.720 1.00 0.00 N ATOM 805 CA ARG A 56 -7.793 4.947 -8.628 1.00 0.00 C ATOM 806 C ARG A 56 -7.026 5.020 -7.311 1.00 0.00 C ATOM 807 O ARG A 56 -7.086 6.024 -6.601 1.00 0.00 O ATOM 808 CB ARG A 56 -8.730 6.151 -8.752 1.00 0.00 C ATOM 809 CG ARG A 56 -9.124 6.470 -10.185 1.00 0.00 C ATOM 810 CD ARG A 56 -10.121 7.617 -10.246 1.00 0.00 C ATOM 811 NE ARG A 56 -10.132 8.263 -11.556 1.00 0.00 N ATOM 812 CZ ARG A 56 -10.764 9.404 -11.807 1.00 0.00 C ATOM 813 NH1 ARG A 56 -11.433 10.022 -10.843 1.00 0.00 N ATOM 814 NH2 ARG A 56 -10.729 9.929 -13.025 1.00 0.00 N ATOM 0 H ARG A 56 -9.531 3.788 -8.448 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.075 4.967 -9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.632 5.961 -8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.246 7.024 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.234 6.729 -10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.557 5.585 -10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.119 7.242 -10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.874 8.353 -9.481 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.627 7.813 -12.320 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.463 9.621 -9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.917 10.898 -11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.216 9.456 -13.770 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.215 10.805 -13.217 1.00 0.00 H new ATOM 828 N SER A 57 -6.306 3.950 -6.992 1.00 0.00 N ATOM 829 CA SER A 57 -5.530 3.890 -5.759 1.00 0.00 C ATOM 830 C SER A 57 -4.406 4.922 -5.774 1.00 0.00 C ATOM 831 O SER A 57 -3.785 5.167 -6.809 1.00 0.00 O ATOM 832 CB SER A 57 -4.949 2.488 -5.564 1.00 0.00 C ATOM 833 OG SER A 57 -3.991 2.190 -6.564 1.00 0.00 O ATOM 0 H SER A 57 -6.244 3.112 -7.570 1.00 0.00 H new ATOM 0 HA SER A 57 -6.197 4.117 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.486 2.416 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.751 1.751 -5.593 1.00 0.00 H new ATOM 0 HG SER A 57 -3.748 1.242 -6.512 1.00 0.00 H new ATOM 839 N THR A 58 -4.148 5.524 -4.617 1.00 0.00 N ATOM 840 CA THR A 58 -3.100 6.529 -4.496 1.00 0.00 C ATOM 841 C THR A 58 -2.276 6.316 -3.231 1.00 0.00 C ATOM 842 O THR A 58 -2.811 6.326 -2.121 1.00 0.00 O ATOM 843 CB THR A 58 -3.687 7.953 -4.478 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.829 8.001 -3.616 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.084 8.392 -5.879 1.00 0.00 C ATOM 0 H THR A 58 -4.651 5.333 -3.750 1.00 0.00 H new ATOM 0 HA THR A 58 -2.456 6.420 -5.368 1.00 0.00 H new ATOM 0 HB THR A 58 -2.922 8.633 -4.104 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.640 7.502 -2.794 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.496 9.400 -5.841 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.207 8.382 -6.526 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.834 7.708 -6.276 1.00 0.00 H new ATOM 853 N CYS A 59 -0.974 6.123 -3.404 1.00 0.00 N ATOM 854 CA CYS A 59 -0.076 5.907 -2.275 1.00 0.00 C ATOM 855 C CYS A 59 0.648 7.196 -1.901 1.00 0.00 C ATOM 856 O CYS A 59 1.056 7.965 -2.772 1.00 0.00 O ATOM 857 CB CYS A 59 0.942 4.815 -2.608 1.00 0.00 C ATOM 858 SG CYS A 59 2.100 5.260 -3.923 1.00 0.00 S ATOM 0 H CYS A 59 -0.516 6.112 -4.315 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.675 5.588 -1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.507 4.573 -1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.407 3.912 -2.900 1.00 0.00 H new ATOM 0 HG CYS A 59 2.170 6.554 -4.020 1.00 0.00 H new ATOM 864 N GLU A 60 0.803 7.427 -0.601 1.00 0.00 N ATOM 865 CA GLU A 60 1.475 8.625 -0.113 1.00 0.00 C ATOM 866 C GLU A 60 2.535 8.269 0.925 1.00 0.00 C ATOM 867 O GLU A 60 2.216 7.962 2.073 1.00 0.00 O ATOM 868 CB GLU A 60 0.459 9.597 0.491 1.00 0.00 C ATOM 869 CG GLU A 60 -0.124 10.572 -0.517 1.00 0.00 C ATOM 870 CD GLU A 60 -1.423 11.195 -0.042 1.00 0.00 C ATOM 871 OE1 GLU A 60 -2.209 10.492 0.626 1.00 0.00 O ATOM 872 OE2 GLU A 60 -1.651 12.387 -0.339 1.00 0.00 O ATOM 0 H GLU A 60 0.472 6.800 0.133 1.00 0.00 H new ATOM 0 HA GLU A 60 1.967 9.105 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.352 9.027 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.939 10.159 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.602 11.361 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.297 10.054 -1.460 1.00 0.00 H new ATOM 879 N ALA A 61 3.798 8.312 0.512 1.00 0.00 N ATOM 880 CA ALA A 61 4.905 7.996 1.406 1.00 0.00 C ATOM 881 C ALA A 61 4.778 6.580 1.958 1.00 0.00 C ATOM 882 O ALA A 61 5.147 6.313 3.101 1.00 0.00 O ATOM 883 CB ALA A 61 4.969 9.004 2.544 1.00 0.00 C ATOM 0 H ALA A 61 4.079 8.563 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 61 5.830 8.053 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.800 8.756 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.116 10.004 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.037 8.975 3.108 1.00 0.00 H new ATOM 889 N GLY A 62 4.253 5.675 1.137 1.00 0.00 N ATOM 890 CA GLY A 62 4.087 4.297 1.561 1.00 0.00 C ATOM 891 C GLY A 62 2.675 4.000 2.026 1.00 0.00 C ATOM 892 O GLY A 62 2.325 2.847 2.277 1.00 0.00 O ATOM 0 H GLY A 62 3.940 5.872 0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.342 3.633 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.785 4.082 2.370 1.00 0.00 H new ATOM 896 N VAL A 63 1.860 5.044 2.143 1.00 0.00 N ATOM 897 CA VAL A 63 0.478 4.890 2.582 1.00 0.00 C ATOM 898 C VAL A 63 -0.455 4.683 1.395 1.00 0.00 C ATOM 899 O VAL A 63 -0.942 5.645 0.800 1.00 0.00 O ATOM 900 CB VAL A 63 0.005 6.116 3.386 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.447 5.949 3.809 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.899 6.337 4.596 1.00 0.00 C ATOM 0 H VAL A 63 2.133 6.006 1.940 1.00 0.00 H new ATOM 0 HA VAL A 63 0.445 4.010 3.224 1.00 0.00 H new ATOM 0 HB VAL A 63 0.074 6.996 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.764 6.824 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.074 5.843 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.545 5.059 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.550 7.207 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.865 5.458 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.924 6.505 4.265 1.00 0.00 H new ATOM 912 N ALA A 64 -0.702 3.422 1.055 1.00 0.00 N ATOM 913 CA ALA A 64 -1.580 3.089 -0.059 1.00 0.00 C ATOM 914 C ALA A 64 -3.042 3.320 0.305 1.00 0.00 C ATOM 915 O ALA A 64 -3.472 3.003 1.413 1.00 0.00 O ATOM 916 CB ALA A 64 -1.363 1.645 -0.488 1.00 0.00 C ATOM 0 H ALA A 64 -0.306 2.614 1.536 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.333 3.746 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.025 1.409 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.327 1.509 -0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.581 0.980 0.348 1.00 0.00 H new ATOM 922 N GLU A 65 -3.801 3.875 -0.635 1.00 0.00 N ATOM 923 CA GLU A 65 -5.215 4.150 -0.411 1.00 0.00 C ATOM 924 C GLU A 65 -6.031 3.865 -1.669 1.00 0.00 C ATOM 925 O GLU A 65 -5.540 4.016 -2.788 1.00 0.00 O ATOM 926 CB GLU A 65 -5.412 5.605 0.020 1.00 0.00 C ATOM 927 CG GLU A 65 -4.675 5.967 1.298 1.00 0.00 C ATOM 928 CD GLU A 65 -5.286 7.161 2.006 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.530 7.229 2.088 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.520 8.027 2.477 1.00 0.00 O ATOM 0 H GLU A 65 -3.460 4.143 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.565 3.492 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.075 6.261 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.477 5.793 0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.679 5.109 1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.633 6.183 1.063 1.00 0.00 H new ATOM 937 N LEU A 66 -7.279 3.453 -1.476 1.00 0.00 N ATOM 938 CA LEU A 66 -8.164 3.146 -2.594 1.00 0.00 C ATOM 939 C LEU A 66 -9.542 3.766 -2.384 1.00 0.00 C ATOM 940 O LEU A 66 -10.390 3.200 -1.693 1.00 0.00 O ATOM 941 CB LEU A 66 -8.295 1.632 -2.766 1.00 0.00 C ATOM 942 CG LEU A 66 -9.134 1.161 -3.954 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.383 1.379 -5.259 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.513 -0.304 -3.793 1.00 0.00 C ATOM 0 H LEU A 66 -7.701 3.324 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.728 3.572 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.295 1.210 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.728 1.219 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.050 1.751 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.996 1.038 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.164 2.440 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.450 0.816 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.110 -0.621 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.609 -0.910 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.092 -0.432 -2.879 1.00 0.00 H new ATOM 956 N HIS A 67 -9.759 4.931 -2.985 1.00 0.00 N ATOM 957 CA HIS A 67 -11.036 5.627 -2.866 1.00 0.00 C ATOM 958 C HIS A 67 -12.114 4.929 -3.690 1.00 0.00 C ATOM 959 O HIS A 67 -11.961 4.740 -4.897 1.00 0.00 O ATOM 960 CB HIS A 67 -10.893 7.080 -3.318 1.00 0.00 C ATOM 961 CG HIS A 67 -9.803 7.824 -2.609 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.047 8.858 -1.730 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.459 7.676 -2.651 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.899 9.316 -1.264 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.919 8.616 -1.807 1.00 0.00 N ATOM 0 H HIS A 67 -9.068 5.413 -3.559 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.336 5.608 -1.818 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.698 7.101 -4.390 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.839 7.597 -3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.912 6.953 -3.239 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.781 10.125 -0.559 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.924 8.751 -1.629 1.00 0.00 H new ATOM 974 N ILE A 68 -13.202 4.548 -3.030 1.00 0.00 N ATOM 975 CA ILE A 68 -14.305 3.871 -3.702 1.00 0.00 C ATOM 976 C ILE A 68 -15.625 4.594 -3.456 1.00 0.00 C ATOM 977 O ILE A 68 -16.252 4.422 -2.411 1.00 0.00 O ATOM 978 CB ILE A 68 -14.438 2.410 -3.234 1.00 0.00 C ATOM 979 CG1 ILE A 68 -13.107 1.674 -3.404 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.542 1.705 -4.007 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.761 1.378 -4.846 1.00 0.00 C ATOM 0 H ILE A 68 -13.344 4.696 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 68 -14.080 3.883 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.702 2.405 -2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.311 2.274 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.145 0.737 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.624 0.673 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.489 2.219 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.306 1.717 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.805 0.855 -4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.538 0.752 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.690 2.313 -5.402 1.00 0.00 H new ATOM 993 N GLN A 69 -16.041 5.402 -4.426 1.00 0.00 N ATOM 994 CA GLN A 69 -17.287 6.150 -4.315 1.00 0.00 C ATOM 995 C GLN A 69 -18.460 5.336 -4.850 1.00 0.00 C ATOM 996 O GLN A 69 -18.272 4.373 -5.594 1.00 0.00 O ATOM 997 CB GLN A 69 -17.181 7.474 -5.073 1.00 0.00 C ATOM 998 CG GLN A 69 -16.965 7.304 -6.568 1.00 0.00 C ATOM 999 CD GLN A 69 -16.665 8.615 -7.268 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -16.574 9.665 -6.631 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -16.511 8.561 -8.585 1.00 0.00 N ATOM 0 H GLN A 69 -15.533 5.555 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.464 6.357 -3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -18.091 8.051 -4.909 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.357 8.055 -4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.141 6.610 -6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.854 6.855 -7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.595 7.669 -9.072 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.309 9.412 -9.110 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.670 5.729 -4.468 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.875 5.036 -4.911 1.00 0.00 C ATOM 1012 C ASP A 70 -20.767 3.537 -4.648 1.00 0.00 C ATOM 1013 O ASP A 70 -20.952 2.724 -5.553 1.00 0.00 O ATOM 1014 CB ASP A 70 -21.117 5.290 -6.399 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.906 6.559 -6.650 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -22.895 6.795 -5.924 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -21.536 7.317 -7.571 1.00 0.00 O ATOM 0 H ASP A 70 -19.843 6.524 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.719 5.426 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.158 5.354 -6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.653 4.442 -6.827 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.465 3.180 -3.404 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.334 1.779 -3.022 1.00 0.00 C ATOM 1024 C ALA A 71 -21.560 0.977 -3.445 1.00 0.00 C ATOM 1025 O ALA A 71 -22.578 0.969 -2.752 1.00 0.00 O ATOM 1026 CB ALA A 71 -20.114 1.660 -1.522 1.00 0.00 C ATOM 0 H ALA A 71 -20.306 3.841 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.468 1.367 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.018 0.609 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.203 2.191 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.963 2.095 -0.994 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.457 0.305 -4.586 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.559 -0.500 -5.102 1.00 0.00 C ATOM 1034 C LEU A 72 -22.549 -1.895 -4.486 1.00 0.00 C ATOM 1035 O LEU A 72 -21.509 -2.412 -4.076 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.472 -0.602 -6.626 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.601 0.713 -7.395 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.699 0.449 -8.890 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -23.810 1.498 -6.909 1.00 0.00 C ATOM 0 H LEU A 72 -20.622 0.301 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.494 -0.010 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.517 -1.059 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.254 -1.279 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 72 -21.708 1.310 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.790 1.396 -9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.803 -0.071 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -23.575 -0.167 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.886 2.431 -7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.713 0.908 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -23.698 1.719 -5.847 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.733 -2.522 -4.419 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.886 -3.867 -3.857 1.00 0.00 C ATOM 1053 C PRO A 73 -23.258 -4.939 -4.740 1.00 0.00 C ATOM 1054 O PRO A 73 -23.323 -6.128 -4.429 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.404 -4.052 -3.789 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.944 -3.145 -4.841 1.00 0.00 C ATOM 1057 CD PRO A 73 -25.013 -1.965 -4.888 1.00 0.00 C ATOM 0 HA PRO A 73 -23.387 -3.965 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.685 -5.088 -3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.791 -3.790 -2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.985 -3.648 -5.807 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.960 -2.831 -4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.929 -1.559 -5.896 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.358 -1.155 -4.246 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.651 -4.511 -5.843 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.012 -5.436 -6.771 1.00 0.00 C ATOM 1067 C GLU A 74 -20.523 -5.132 -6.904 1.00 0.00 C ATOM 1068 O GLU A 74 -19.876 -5.550 -7.864 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.683 -5.362 -8.144 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.303 -4.126 -8.941 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.554 -4.290 -10.427 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -23.319 -5.202 -10.803 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -21.983 -3.506 -11.215 1.00 0.00 O ATOM 0 H GLU A 74 -22.589 -3.530 -6.115 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.125 -6.444 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.417 -6.250 -8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.765 -5.380 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.871 -3.272 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.249 -3.902 -8.777 1.00 0.00 H new ATOM 1080 N ASP A 75 -19.986 -4.399 -5.934 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.573 -4.038 -5.941 1.00 0.00 C ATOM 1082 C ASP A 75 -17.858 -4.616 -4.724 1.00 0.00 C ATOM 1083 O ASP A 75 -16.656 -4.880 -4.764 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.414 -2.517 -5.967 1.00 0.00 C ATOM 1085 CG ASP A 75 -17.063 -2.086 -6.502 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -16.495 -2.818 -7.339 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.572 -1.016 -6.084 1.00 0.00 O ATOM 0 H ASP A 75 -20.508 -4.043 -5.133 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.120 -4.459 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -19.201 -2.083 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.545 -2.124 -4.959 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.605 -4.810 -3.641 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.043 -5.356 -2.412 1.00 0.00 C ATOM 1094 C HIS A 76 -17.523 -6.773 -2.635 1.00 0.00 C ATOM 1095 O HIS A 76 -18.013 -7.495 -3.502 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.093 -5.355 -1.301 1.00 0.00 C ATOM 1097 CG HIS A 76 -19.937 -6.591 -1.273 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.456 -7.174 -2.410 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.351 -7.358 -0.237 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -21.154 -8.244 -2.075 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -21.106 -8.379 -0.762 1.00 0.00 N ATOM 0 H HIS A 76 -19.601 -4.597 -3.591 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.207 -4.724 -2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -18.592 -5.245 -0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.740 -4.486 -1.424 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.129 -7.197 0.808 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.675 -8.898 -2.759 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.556 -9.120 -0.225 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.526 -7.164 -1.846 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.955 -8.492 -1.975 1.00 0.00 C ATOM 1112 C GLY A 77 -14.715 -8.675 -1.123 1.00 0.00 C ATOM 1113 O GLY A 77 -14.754 -8.489 0.094 1.00 0.00 O ATOM 0 H GLY A 77 -16.104 -6.585 -1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.701 -9.234 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.705 -8.677 -3.020 1.00 0.00 H new ATOM 1117 N THR A 78 -13.608 -9.041 -1.763 1.00 0.00 N ATOM 1118 CA THR A 78 -12.351 -9.252 -1.057 1.00 0.00 C ATOM 1119 C THR A 78 -11.210 -8.498 -1.729 1.00 0.00 C ATOM 1120 O THR A 78 -10.741 -8.887 -2.800 1.00 0.00 O ATOM 1121 CB THR A 78 -11.991 -10.748 -0.985 1.00 0.00 C ATOM 1122 OG1 THR A 78 -13.124 -11.504 -0.543 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.822 -10.979 -0.040 1.00 0.00 C ATOM 0 H THR A 78 -13.557 -9.197 -2.770 1.00 0.00 H new ATOM 0 HA THR A 78 -12.489 -8.870 -0.045 1.00 0.00 H new ATOM 0 HB THR A 78 -11.701 -11.077 -1.983 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.887 -12.454 -0.502 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.586 -12.043 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.952 -10.426 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.088 -10.634 0.959 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.765 -7.419 -1.095 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.678 -6.610 -1.633 1.00 0.00 C ATOM 1133 C TYR A 79 -8.323 -7.218 -1.287 1.00 0.00 C ATOM 1134 O TYR A 79 -8.177 -7.909 -0.278 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.762 -5.181 -1.092 1.00 0.00 C ATOM 1136 CG TYR A 79 -10.911 -4.383 -1.665 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -10.756 -3.647 -2.834 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -12.151 -4.364 -1.039 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -11.803 -2.916 -3.361 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -13.203 -3.636 -1.559 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.025 -2.914 -2.721 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.070 -2.187 -3.242 1.00 0.00 O ATOM 0 H TYR A 79 -11.140 -7.084 -0.208 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.779 -6.587 -2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.861 -5.218 -0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.827 -4.664 -1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.801 -3.647 -3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.295 -4.929 -0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.665 -2.349 -4.270 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.160 -3.632 -1.059 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.859 -2.294 -2.671 1.00 0.00 H new ATOM 1152 N THR A 80 -7.330 -6.955 -2.132 1.00 0.00 N ATOM 1153 CA THR A 80 -5.986 -7.476 -1.918 1.00 0.00 C ATOM 1154 C THR A 80 -4.930 -6.458 -2.333 1.00 0.00 C ATOM 1155 O THR A 80 -4.796 -6.135 -3.514 1.00 0.00 O ATOM 1156 CB THR A 80 -5.759 -8.783 -2.700 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.765 -9.742 -2.355 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.382 -9.358 -2.404 1.00 0.00 C ATOM 0 H THR A 80 -7.432 -6.384 -2.971 1.00 0.00 H new ATOM 0 HA THR A 80 -5.891 -7.679 -0.851 1.00 0.00 H new ATOM 0 HB THR A 80 -5.821 -8.559 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.614 -10.570 -2.858 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.244 -10.281 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.617 -8.638 -2.694 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.297 -9.568 -1.338 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.182 -5.957 -1.357 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.136 -4.975 -1.622 1.00 0.00 C ATOM 1168 C CYS A 81 -1.764 -5.639 -1.660 1.00 0.00 C ATOM 1169 O CYS A 81 -1.181 -5.946 -0.620 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.156 -3.879 -0.556 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.242 -2.387 -1.014 1.00 0.00 S ATOM 0 H CYS A 81 -4.280 -6.214 -0.375 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.330 -4.528 -2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.191 -3.608 -0.348 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.739 -4.278 0.368 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.080 -1.434 -1.295 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.253 -5.860 -2.867 1.00 0.00 N ATOM 1178 CA LEU A 82 0.051 -6.490 -3.042 1.00 0.00 C ATOM 1179 C LEU A 82 1.157 -5.442 -3.110 1.00 0.00 C ATOM 1180 O LEU A 82 1.114 -4.533 -3.938 1.00 0.00 O ATOM 1181 CB LEU A 82 0.061 -7.342 -4.312 1.00 0.00 C ATOM 1182 CG LEU A 82 1.439 -7.667 -4.892 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.361 -8.201 -3.807 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.315 -8.668 -6.031 1.00 0.00 C ATOM 0 H LEU A 82 -1.722 -5.612 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 82 0.236 -7.131 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.452 -8.280 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.520 -6.826 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 82 1.872 -6.749 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.337 -8.427 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.474 -7.451 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.934 -9.109 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.305 -8.888 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.862 -9.587 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.690 -8.247 -6.819 1.00 0.00 H new ATOM 1196 N ALA A 83 2.148 -5.577 -2.235 1.00 0.00 N ATOM 1197 CA ALA A 83 3.268 -4.645 -2.198 1.00 0.00 C ATOM 1198 C ALA A 83 4.600 -5.385 -2.243 1.00 0.00 C ATOM 1199 O ALA A 83 5.038 -5.953 -1.243 1.00 0.00 O ATOM 1200 CB ALA A 83 3.188 -3.772 -0.954 1.00 0.00 C ATOM 0 H ALA A 83 2.198 -6.324 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 83 3.207 -4.007 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.031 -3.081 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.256 -3.207 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.220 -4.402 -0.065 1.00 0.00 H new ATOM 1206 N GLU A 84 5.239 -5.375 -3.408 1.00 0.00 N ATOM 1207 CA GLU A 84 6.522 -6.047 -3.582 1.00 0.00 C ATOM 1208 C GLU A 84 7.537 -5.120 -4.244 1.00 0.00 C ATOM 1209 O GLU A 84 7.176 -4.253 -5.038 1.00 0.00 O ATOM 1210 CB GLU A 84 6.349 -7.315 -4.421 1.00 0.00 C ATOM 1211 CG GLU A 84 5.954 -7.041 -5.863 1.00 0.00 C ATOM 1212 CD GLU A 84 5.439 -8.278 -6.572 1.00 0.00 C ATOM 1213 OE1 GLU A 84 4.239 -8.589 -6.425 1.00 0.00 O ATOM 1214 OE2 GLU A 84 6.236 -8.935 -7.274 1.00 0.00 O ATOM 0 H GLU A 84 4.890 -4.909 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 84 6.896 -6.321 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.282 -7.878 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.590 -7.946 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.186 -6.268 -5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.816 -6.649 -6.404 1.00 0.00 H new ATOM 1221 N ASN A 85 8.809 -5.310 -3.909 1.00 0.00 N ATOM 1222 CA ASN A 85 9.877 -4.491 -4.469 1.00 0.00 C ATOM 1223 C ASN A 85 11.061 -5.355 -4.893 1.00 0.00 C ATOM 1224 O ASN A 85 11.000 -6.583 -4.831 1.00 0.00 O ATOM 1225 CB ASN A 85 10.335 -3.445 -3.450 1.00 0.00 C ATOM 1226 CG ASN A 85 11.027 -4.068 -2.253 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.258 -5.277 -2.216 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.361 -3.243 -1.268 1.00 0.00 N ATOM 0 H ASN A 85 9.125 -6.024 -3.253 1.00 0.00 H new ATOM 0 HA ASN A 85 9.486 -3.983 -5.351 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.014 -2.743 -3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.473 -2.871 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.829 -3.604 -0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.150 -2.248 -1.342 1.00 0.00 H new ATOM 1235 N ALA A 86 12.137 -4.705 -5.324 1.00 0.00 N ATOM 1236 CA ALA A 86 13.335 -5.414 -5.756 1.00 0.00 C ATOM 1237 C ALA A 86 13.954 -6.199 -4.604 1.00 0.00 C ATOM 1238 O ALA A 86 14.880 -6.986 -4.802 1.00 0.00 O ATOM 1239 CB ALA A 86 14.347 -4.436 -6.334 1.00 0.00 C ATOM 0 H ALA A 86 12.204 -3.689 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 86 13.047 -6.124 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.237 -4.979 -6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.909 -3.923 -7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.621 -3.704 -5.574 1.00 0.00 H new ATOM 1245 N LEU A 87 13.437 -5.979 -3.400 1.00 0.00 N ATOM 1246 CA LEU A 87 13.940 -6.666 -2.215 1.00 0.00 C ATOM 1247 C LEU A 87 13.076 -7.878 -1.880 1.00 0.00 C ATOM 1248 O LEU A 87 13.471 -9.019 -2.116 1.00 0.00 O ATOM 1249 CB LEU A 87 13.977 -5.707 -1.023 1.00 0.00 C ATOM 1250 CG LEU A 87 15.278 -4.928 -0.829 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.290 -5.763 -0.059 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.850 -4.501 -2.173 1.00 0.00 C ATOM 0 H LEU A 87 12.670 -5.331 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 87 14.952 -7.012 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.162 -4.992 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.780 -6.279 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 87 15.059 -4.032 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.210 -5.192 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.882 -6.019 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.504 -6.677 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.776 -3.948 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 87 16.054 -5.384 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.131 -3.865 -2.689 1.00 0.00 H new ATOM 1264 N GLY A 88 11.892 -7.621 -1.331 1.00 0.00 N ATOM 1265 CA GLY A 88 10.990 -8.700 -0.975 1.00 0.00 C ATOM 1266 C GLY A 88 9.621 -8.544 -1.608 1.00 0.00 C ATOM 1267 O GLY A 88 9.457 -7.792 -2.567 1.00 0.00 O ATOM 0 H GLY A 88 11.542 -6.685 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.424 -9.650 -1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.883 -8.738 0.109 1.00 0.00 H new ATOM 1271 N GLN A 89 8.637 -9.257 -1.069 1.00 0.00 N ATOM 1272 CA GLN A 89 7.276 -9.195 -1.589 1.00 0.00 C ATOM 1273 C GLN A 89 6.271 -9.657 -0.539 1.00 0.00 C ATOM 1274 O GLN A 89 6.429 -10.720 0.061 1.00 0.00 O ATOM 1275 CB GLN A 89 7.149 -10.056 -2.848 1.00 0.00 C ATOM 1276 CG GLN A 89 7.366 -11.539 -2.595 1.00 0.00 C ATOM 1277 CD GLN A 89 7.289 -12.364 -3.865 1.00 0.00 C ATOM 1278 OE1 GLN A 89 8.180 -13.162 -4.155 1.00 0.00 O ATOM 1279 NE2 GLN A 89 6.219 -12.176 -4.629 1.00 0.00 N ATOM 0 H GLN A 89 8.757 -9.884 -0.273 1.00 0.00 H new ATOM 0 HA GLN A 89 7.057 -8.158 -1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.159 -9.911 -3.279 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.872 -9.712 -3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.341 -11.686 -2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.618 -11.897 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.505 -11.504 -4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.112 -12.704 -5.495 1.00 0.00 H new ATOM 1288 N VAL A 90 5.236 -8.851 -0.323 1.00 0.00 N ATOM 1289 CA VAL A 90 4.204 -9.178 0.654 1.00 0.00 C ATOM 1290 C VAL A 90 2.817 -8.841 0.121 1.00 0.00 C ATOM 1291 O VAL A 90 2.662 -7.957 -0.723 1.00 0.00 O ATOM 1292 CB VAL A 90 4.429 -8.427 1.980 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.817 -8.717 2.530 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.226 -6.932 1.786 1.00 0.00 C ATOM 0 H VAL A 90 5.090 -7.967 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 90 4.269 -10.251 0.837 1.00 0.00 H new ATOM 0 HB VAL A 90 3.696 -8.780 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.957 -8.178 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.921 -9.787 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.569 -8.394 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.389 -6.417 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.934 -6.562 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.209 -6.745 1.441 1.00 0.00 H new ATOM 1304 N SER A 91 1.809 -9.551 0.618 1.00 0.00 N ATOM 1305 CA SER A 91 0.433 -9.329 0.189 1.00 0.00 C ATOM 1306 C SER A 91 -0.527 -9.426 1.371 1.00 0.00 C ATOM 1307 O SER A 91 -0.291 -10.180 2.316 1.00 0.00 O ATOM 1308 CB SER A 91 0.041 -10.346 -0.885 1.00 0.00 C ATOM 1309 OG SER A 91 0.181 -11.672 -0.407 1.00 0.00 O ATOM 0 H SER A 91 1.919 -10.285 1.318 1.00 0.00 H new ATOM 0 HA SER A 91 0.367 -8.325 -0.230 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.990 -10.174 -1.194 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.665 -10.206 -1.768 1.00 0.00 H new ATOM 0 HG SER A 91 -0.077 -12.303 -1.111 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.609 -8.658 1.311 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.605 -8.656 2.376 1.00 0.00 C ATOM 1317 C CYS A 92 -4.016 -8.580 1.801 1.00 0.00 C ATOM 1318 O CYS A 92 -4.229 -8.023 0.725 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.365 -7.482 3.326 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.658 -5.860 2.583 1.00 0.00 S ATOM 0 H CYS A 92 -1.819 -8.029 0.536 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.508 -9.589 2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.013 -7.594 4.196 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.337 -7.524 3.687 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.523 -5.330 2.236 1.00 0.00 H new ATOM 1326 N SER A 93 -4.976 -9.146 2.526 1.00 0.00 N ATOM 1327 CA SER A 93 -6.366 -9.147 2.085 1.00 0.00 C ATOM 1328 C SER A 93 -7.252 -8.404 3.081 1.00 0.00 C ATOM 1329 O SER A 93 -6.841 -8.125 4.206 1.00 0.00 O ATOM 1330 CB SER A 93 -6.867 -10.582 1.912 1.00 0.00 C ATOM 1331 OG SER A 93 -6.676 -11.336 3.097 1.00 0.00 O ATOM 0 H SER A 93 -4.817 -9.609 3.421 1.00 0.00 H new ATOM 0 HA SER A 93 -6.417 -8.633 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.925 -10.572 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.339 -11.058 1.086 1.00 0.00 H new ATOM 0 HG SER A 93 -7.006 -12.249 2.961 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.471 -8.087 2.656 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.416 -7.378 3.509 1.00 0.00 C ATOM 1339 C ALA A 94 -10.855 -7.681 3.104 1.00 0.00 C ATOM 1340 O ALA A 94 -11.132 -7.983 1.943 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.155 -5.880 3.457 1.00 0.00 C ATOM 0 H ALA A 94 -8.827 -8.310 1.726 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.273 -7.724 4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.869 -5.364 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.142 -5.675 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.267 -5.526 2.432 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.766 -7.598 4.067 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.177 -7.863 3.809 1.00 0.00 C ATOM 1349 C TRP A 95 -14.000 -6.585 3.916 1.00 0.00 C ATOM 1350 O TRP A 95 -13.929 -5.870 4.916 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.707 -8.909 4.791 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.146 -9.261 4.564 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.236 -8.659 5.124 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.651 -10.299 3.716 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.388 -9.259 4.676 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -17.056 -10.268 3.811 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -15.053 -11.250 2.885 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.869 -11.152 3.107 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.862 -12.127 2.187 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.257 -12.073 2.301 1.00 0.00 C ATOM 0 H TRP A 95 -11.553 -7.349 5.033 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.269 -8.247 2.793 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -13.102 -9.812 4.710 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.588 -8.536 5.808 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.198 -7.832 5.818 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.336 -8.996 4.944 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.978 -11.299 2.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.945 -11.112 3.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.411 -12.867 1.543 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.861 -12.772 1.742 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.781 -6.301 2.879 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.620 -5.108 2.857 1.00 0.00 C ATOM 1373 C VAL A 96 -17.060 -5.455 2.499 1.00 0.00 C ATOM 1374 O VAL A 96 -17.319 -6.128 1.500 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.089 -4.067 1.853 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.962 -2.822 1.863 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.642 -3.716 2.165 1.00 0.00 C ATOM 0 H VAL A 96 -14.851 -6.881 2.043 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.591 -4.682 3.860 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.127 -4.500 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.572 -2.098 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.982 -3.091 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.959 -2.384 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.283 -2.980 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.577 -3.302 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -13.028 -4.614 2.101 1.00 0.00 H new ATOM 1387 N THR A 97 -17.997 -4.990 3.320 1.00 0.00 N ATOM 1388 CA THR A 97 -19.412 -5.251 3.090 1.00 0.00 C ATOM 1389 C THR A 97 -20.170 -3.961 2.802 1.00 0.00 C ATOM 1390 O THR A 97 -19.879 -2.915 3.383 1.00 0.00 O ATOM 1391 CB THR A 97 -20.057 -5.953 4.300 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.285 -7.100 4.671 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.484 -6.376 3.984 1.00 0.00 C ATOM 0 H THR A 97 -17.801 -4.431 4.150 1.00 0.00 H new ATOM 0 HA THR A 97 -19.475 -5.907 2.222 1.00 0.00 H new ATOM 0 HB THR A 97 -20.080 -5.247 5.131 1.00 0.00 H new ATOM 0 HG1 THR A 97 -18.669 -7.328 3.944 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.918 -6.869 4.854 1.00 0.00 H new ATOM 0 HG22 THR A 97 -22.077 -5.497 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.481 -7.065 3.140 1.00 0.00 H new ATOM 1401 N VAL A 98 -21.145 -4.040 1.901 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.946 -2.878 1.537 1.00 0.00 C ATOM 1403 C VAL A 98 -23.417 -3.099 1.870 1.00 0.00 C ATOM 1404 O VAL A 98 -24.085 -3.933 1.257 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.813 -2.552 0.038 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.711 -1.382 -0.336 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.364 -2.256 -0.316 1.00 0.00 C ATOM 0 H VAL A 98 -21.399 -4.897 1.410 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.567 -2.037 2.118 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.133 -3.422 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.604 -1.166 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.749 -1.636 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -22.425 -0.504 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.289 -2.028 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -20.015 -1.402 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.749 -3.126 -0.087 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.918 -2.346 2.844 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.312 -2.458 3.257 1.00 0.00 C ATOM 1419 C HIS A 99 -26.249 -2.273 2.067 1.00 0.00 C ATOM 1420 O HIS A 99 -27.449 -2.534 2.163 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.631 -1.425 4.338 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.747 -1.526 5.543 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.726 -2.628 6.371 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.847 -0.655 6.057 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.854 -2.430 7.343 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.307 -1.240 7.175 1.00 0.00 N ATOM 0 H HIS A 99 -23.379 -1.652 3.362 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.464 -3.457 3.664 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.539 -0.426 3.913 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.669 -1.545 4.648 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.295 -3.466 6.252 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.600 0.319 5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.627 -3.123 8.139 1.00 0.00 H new