USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 66:sc= 0.771 USER MOD Set 1.3: A 49 SER OG : rot 12:sc= 0.361 USER MOD Set 1.4: A 105 GLN : amide:sc= 1.44 K(o=2.6,f=-8.5!) USER MOD Single : A 44 ASN : amide:sc= -3.95 K(o=-3.9,f=-1.9) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -119:sc= -0.11 (180deg=-2.12!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= -0.199 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.604 K(o=-0.6,f=-1.9!) USER MOD Single : A 69 TYR OH : rot 165:sc= -0.131 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0279) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -8.69! C(o=-8.7!,f=-9!) USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= 0.429 (180deg=0.428) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -4.5! K(o=-4.5!,f=-2.1) USER MOD Single : A 108 MET CE :methyl 174:sc= -2.68! (180deg=-3.23!) USER MOD Single : A 110 HIS : no HD1:sc= -0.391 X(o=-0.39,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 38 -1.051 16.275 -0.637 1.00 0.00 N ATOM 78 CA GLY A 38 -0.869 15.046 -1.387 1.00 0.00 C ATOM 79 C GLY A 38 -0.492 13.876 -0.501 1.00 0.00 C ATOM 80 O GLY A 38 0.254 12.989 -0.916 1.00 0.00 O ATOM 0 HA2 GLY A 38 -1.789 14.811 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.093 15.194 -2.138 1.00 0.00 H new ATOM 84 N ARG A 39 -1.006 13.874 0.725 1.00 0.00 N ATOM 85 CA ARG A 39 -0.716 12.806 1.674 1.00 0.00 C ATOM 86 C ARG A 39 -1.775 11.710 1.599 1.00 0.00 C ATOM 87 O ARG A 39 -2.973 11.992 1.538 1.00 0.00 O ATOM 88 CB ARG A 39 -0.644 13.364 3.096 1.00 0.00 C ATOM 89 CG ARG A 39 0.009 12.417 4.089 1.00 0.00 C ATOM 90 CD ARG A 39 -0.042 12.972 5.504 1.00 0.00 C ATOM 91 NE ARG A 39 0.298 11.960 6.501 1.00 0.00 N ATOM 92 CZ ARG A 39 0.768 12.249 7.710 1.00 0.00 C ATOM 93 NH1 ARG A 39 0.951 13.512 8.070 1.00 0.00 N ATOM 94 NH2 ARG A 39 1.054 11.273 8.562 1.00 0.00 N ATOM 0 H ARG A 39 -1.625 14.600 1.084 1.00 0.00 H new ATOM 0 HA ARG A 39 0.249 12.373 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.088 14.302 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.653 13.596 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.495 11.451 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.046 12.245 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.648 13.811 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.041 13.359 5.706 1.00 0.00 H new ATOM 0 HE ARG A 39 0.168 10.978 6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.731 14.265 7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.312 13.730 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.913 10.300 8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.415 11.495 9.490 1.00 0.00 H new ATOM 108 N LEU A 40 -1.326 10.460 1.603 1.00 0.00 N ATOM 109 CA LEU A 40 -2.235 9.320 1.535 1.00 0.00 C ATOM 110 C LEU A 40 -1.802 8.220 2.498 1.00 0.00 C ATOM 111 O LEU A 40 -0.618 7.897 2.597 1.00 0.00 O ATOM 112 CB LEU A 40 -2.291 8.772 0.108 1.00 0.00 C ATOM 113 CG LEU A 40 -2.949 9.677 -0.934 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.736 9.123 -2.334 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.434 9.835 -0.641 1.00 0.00 C ATOM 0 H LEU A 40 -0.338 10.209 1.653 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.229 9.661 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.273 8.558 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.827 7.823 0.126 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.481 10.660 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.211 9.781 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.668 9.063 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.176 8.128 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.886 10.482 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.916 8.858 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.565 10.279 0.346 1.00 0.00 H new ATOM 127 N PHE A 41 -2.769 7.646 3.206 1.00 0.00 N ATOM 128 CA PHE A 41 -2.488 6.580 4.161 1.00 0.00 C ATOM 129 C PHE A 41 -2.684 5.210 3.520 1.00 0.00 C ATOM 130 O PHE A 41 -3.718 4.941 2.907 1.00 0.00 O ATOM 131 CB PHE A 41 -3.391 6.716 5.389 1.00 0.00 C ATOM 132 CG PHE A 41 -3.306 5.546 6.327 1.00 0.00 C ATOM 133 CD1 PHE A 41 -2.076 5.050 6.728 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.457 4.942 6.808 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.994 3.974 7.592 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.381 3.866 7.672 1.00 0.00 C ATOM 137 CZ PHE A 41 -3.149 3.380 8.063 1.00 0.00 C ATOM 0 H PHE A 41 -3.754 7.901 3.137 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.447 6.670 4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.123 7.624 5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.423 6.834 5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.170 5.510 6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.424 5.316 6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.029 3.598 7.898 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.285 3.405 8.041 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.088 2.537 8.736 1.00 0.00 H new ATOM 147 N VAL A 42 -1.684 4.346 3.665 1.00 0.00 N ATOM 148 CA VAL A 42 -1.746 3.003 3.102 1.00 0.00 C ATOM 149 C VAL A 42 -1.373 1.953 4.142 1.00 0.00 C ATOM 150 O VAL A 42 -0.375 2.092 4.849 1.00 0.00 O ATOM 151 CB VAL A 42 -0.811 2.861 1.886 1.00 0.00 C ATOM 152 CG1 VAL A 42 -1.073 1.550 1.161 1.00 0.00 C ATOM 153 CG2 VAL A 42 -0.979 4.043 0.944 1.00 0.00 C ATOM 0 H VAL A 42 -0.821 4.553 4.168 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.775 2.842 2.781 1.00 0.00 H new ATOM 0 HB VAL A 42 0.219 2.852 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.403 1.467 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.897 0.717 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.107 1.525 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.311 3.926 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.010 4.086 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.736 4.966 1.471 1.00 0.00 H new ATOM 163 N ARG A 43 -2.181 0.901 4.229 1.00 0.00 N ATOM 164 CA ARG A 43 -1.936 -0.174 5.183 1.00 0.00 C ATOM 165 C ARG A 43 -2.049 -1.537 4.508 1.00 0.00 C ATOM 166 O ARG A 43 -2.395 -1.631 3.331 1.00 0.00 O ATOM 167 CB ARG A 43 -2.924 -0.086 6.348 1.00 0.00 C ATOM 168 CG ARG A 43 -4.380 -0.174 5.918 1.00 0.00 C ATOM 169 CD ARG A 43 -5.308 0.403 6.975 1.00 0.00 C ATOM 170 NE ARG A 43 -6.712 0.301 6.586 1.00 0.00 N ATOM 171 CZ ARG A 43 -7.723 0.441 7.436 1.00 0.00 C ATOM 172 NH1 ARG A 43 -7.487 0.688 8.717 1.00 0.00 N ATOM 173 NH2 ARG A 43 -8.973 0.334 7.005 1.00 0.00 N ATOM 0 H ARG A 43 -3.011 0.770 3.650 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.922 -0.061 5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.713 -0.889 7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.766 0.854 6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.517 0.363 4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.643 -1.215 5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.154 -0.122 7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.055 1.449 7.148 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.928 0.112 5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.527 0.771 9.052 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.265 0.795 9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.158 0.144 6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.749 0.442 7.658 1.00 0.00 H new ATOM 187 N ASN A 44 -1.753 -2.591 5.262 1.00 0.00 N ATOM 188 CA ASN A 44 -1.820 -3.950 4.735 1.00 0.00 C ATOM 189 C ASN A 44 -0.678 -4.213 3.760 1.00 0.00 C ATOM 190 O ASN A 44 -0.889 -4.740 2.667 1.00 0.00 O ATOM 191 CB ASN A 44 -3.163 -4.184 4.041 1.00 0.00 C ATOM 192 CG ASN A 44 -3.559 -5.648 4.026 1.00 0.00 C ATOM 193 OD1 ASN A 44 -4.198 -6.139 4.958 1.00 0.00 O ATOM 194 ND2 ASN A 44 -3.181 -6.353 2.966 1.00 0.00 N ATOM 0 H ASN A 44 -1.465 -2.531 6.239 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.725 -4.642 5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.936 -3.607 4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.109 -3.815 3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.419 -7.343 2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.653 -5.905 2.217 1.00 0.00 H new ATOM 201 N LEU A 45 0.533 -3.842 4.161 1.00 0.00 N ATOM 202 CA LEU A 45 1.711 -4.038 3.323 1.00 0.00 C ATOM 203 C LEU A 45 2.283 -5.439 3.507 1.00 0.00 C ATOM 204 O LEU A 45 2.302 -5.972 4.617 1.00 0.00 O ATOM 205 CB LEU A 45 2.777 -2.992 3.654 1.00 0.00 C ATOM 206 CG LEU A 45 2.710 -1.690 2.855 1.00 0.00 C ATOM 207 CD1 LEU A 45 3.216 -1.908 1.437 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.289 -1.145 2.839 1.00 0.00 C ATOM 0 H LEU A 45 0.725 -3.404 5.062 1.00 0.00 H new ATOM 0 HA LEU A 45 1.409 -3.923 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.702 -2.749 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.758 -3.440 3.498 1.00 0.00 H new ATOM 0 HG LEU A 45 3.353 -0.955 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.161 -0.971 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.250 -2.251 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.600 -2.659 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.261 -0.218 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.624 -1.876 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.963 -0.950 3.861 1.00 0.00 H new ATOM 220 N SER A 46 2.751 -6.031 2.412 1.00 0.00 N ATOM 221 CA SER A 46 3.323 -7.371 2.453 1.00 0.00 C ATOM 222 C SER A 46 4.773 -7.329 2.926 1.00 0.00 C ATOM 223 O SER A 46 5.580 -6.548 2.422 1.00 0.00 O ATOM 224 CB SER A 46 3.245 -8.024 1.071 1.00 0.00 C ATOM 225 OG SER A 46 3.127 -9.432 1.178 1.00 0.00 O ATOM 0 H SER A 46 2.745 -5.603 1.486 1.00 0.00 H new ATOM 0 HA SER A 46 2.745 -7.964 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.391 -7.625 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.136 -7.773 0.496 1.00 0.00 H new ATOM 0 HG SER A 46 3.077 -9.825 0.282 1.00 0.00 H new ATOM 231 N TYR A 47 5.095 -8.175 3.899 1.00 0.00 N ATOM 232 CA TYR A 47 6.446 -8.234 4.443 1.00 0.00 C ATOM 233 C TYR A 47 7.450 -8.642 3.369 1.00 0.00 C ATOM 234 O TYR A 47 8.653 -8.417 3.507 1.00 0.00 O ATOM 235 CB TYR A 47 6.505 -9.219 5.612 1.00 0.00 C ATOM 236 CG TYR A 47 5.208 -9.323 6.383 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.595 -8.190 6.904 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.596 -10.553 6.588 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.411 -8.280 7.610 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.411 -10.652 7.291 1.00 0.00 C ATOM 241 CZ TYR A 47 2.823 -9.513 7.800 1.00 0.00 C ATOM 242 OH TYR A 47 1.642 -9.607 8.501 1.00 0.00 O ATOM 0 H TYR A 47 4.439 -8.829 4.326 1.00 0.00 H new ATOM 0 HA TYR A 47 6.709 -7.239 4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.772 -10.205 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.299 -8.914 6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.052 -7.223 6.754 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.054 -11.447 6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.949 -7.390 8.011 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.948 -11.616 7.441 1.00 0.00 H new ATOM 0 HH TYR A 47 1.361 -10.545 8.544 1.00 0.00 H new ATOM 252 N THR A 48 6.946 -9.244 2.295 1.00 0.00 N ATOM 253 CA THR A 48 7.796 -9.684 1.197 1.00 0.00 C ATOM 254 C THR A 48 8.117 -8.530 0.253 1.00 0.00 C ATOM 255 O THR A 48 8.989 -8.645 -0.608 1.00 0.00 O ATOM 256 CB THR A 48 7.132 -10.819 0.394 1.00 0.00 C ATOM 257 OG1 THR A 48 6.031 -10.305 -0.363 1.00 0.00 O ATOM 258 CG2 THR A 48 6.647 -11.924 1.319 1.00 0.00 C ATOM 0 H THR A 48 5.953 -9.437 2.163 1.00 0.00 H new ATOM 0 HA THR A 48 8.720 -10.054 1.641 1.00 0.00 H new ATOM 0 HB THR A 48 7.875 -11.236 -0.285 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.364 -9.682 -1.042 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.182 -12.714 0.729 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.493 -12.333 1.871 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.918 -11.518 2.020 1.00 0.00 H new ATOM 266 N SER A 49 7.408 -7.419 0.422 1.00 0.00 N ATOM 267 CA SER A 49 7.616 -6.244 -0.417 1.00 0.00 C ATOM 268 C SER A 49 8.784 -5.409 0.098 1.00 0.00 C ATOM 269 O SER A 49 9.121 -5.455 1.281 1.00 0.00 O ATOM 270 CB SER A 49 6.346 -5.392 -0.462 1.00 0.00 C ATOM 271 OG SER A 49 5.245 -6.143 -0.944 1.00 0.00 O ATOM 0 H SER A 49 6.684 -7.307 1.132 1.00 0.00 H new ATOM 0 HA SER A 49 7.852 -6.585 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.123 -5.013 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.508 -4.526 -1.103 1.00 0.00 H new ATOM 0 HG SER A 49 5.482 -7.094 -0.966 1.00 0.00 H new ATOM 277 N SER A 50 9.399 -4.646 -0.800 1.00 0.00 N ATOM 278 CA SER A 50 10.532 -3.803 -0.439 1.00 0.00 C ATOM 279 C SER A 50 10.221 -2.333 -0.703 1.00 0.00 C ATOM 280 O SER A 50 9.393 -2.006 -1.552 1.00 0.00 O ATOM 281 CB SER A 50 11.777 -4.221 -1.224 1.00 0.00 C ATOM 282 OG SER A 50 12.366 -5.382 -0.665 1.00 0.00 O ATOM 0 H SER A 50 9.131 -4.595 -1.783 1.00 0.00 H new ATOM 0 HA SER A 50 10.723 -3.931 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.509 -4.410 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.501 -3.406 -1.224 1.00 0.00 H new ATOM 0 HG SER A 50 13.159 -5.630 -1.185 1.00 0.00 H new ATOM 288 N GLU A 51 10.892 -1.451 0.033 1.00 0.00 N ATOM 289 CA GLU A 51 10.686 -0.016 -0.121 1.00 0.00 C ATOM 290 C GLU A 51 10.795 0.396 -1.586 1.00 0.00 C ATOM 291 O GLU A 51 10.053 1.257 -2.055 1.00 0.00 O ATOM 292 CB GLU A 51 11.706 0.760 0.715 1.00 0.00 C ATOM 293 CG GLU A 51 11.459 2.259 0.740 1.00 0.00 C ATOM 294 CD GLU A 51 12.487 3.006 1.567 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.663 3.055 1.148 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.117 3.542 2.632 1.00 0.00 O ATOM 0 H GLU A 51 11.582 -1.705 0.740 1.00 0.00 H new ATOM 0 HA GLU A 51 9.682 0.221 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.690 0.381 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.705 0.571 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.471 2.642 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.465 2.453 1.142 1.00 0.00 H new ATOM 303 N GLU A 52 11.726 -0.227 -2.302 1.00 0.00 N ATOM 304 CA GLU A 52 11.933 0.076 -3.713 1.00 0.00 C ATOM 305 C GLU A 52 10.678 -0.232 -4.525 1.00 0.00 C ATOM 306 O GLU A 52 10.282 0.545 -5.394 1.00 0.00 O ATOM 307 CB GLU A 52 13.117 -0.723 -4.261 1.00 0.00 C ATOM 308 CG GLU A 52 13.393 -0.471 -5.734 1.00 0.00 C ATOM 309 CD GLU A 52 14.822 -0.795 -6.124 1.00 0.00 C ATOM 310 OE1 GLU A 52 15.748 -0.271 -5.470 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.015 -1.572 -7.082 1.00 0.00 O ATOM 0 H GLU A 52 12.348 -0.944 -1.928 1.00 0.00 H new ATOM 0 HA GLU A 52 12.150 1.140 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.009 -0.475 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.927 -1.786 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.711 -1.072 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.185 0.574 -5.965 1.00 0.00 H new ATOM 318 N ASP A 53 10.058 -1.370 -4.236 1.00 0.00 N ATOM 319 CA ASP A 53 8.848 -1.782 -4.938 1.00 0.00 C ATOM 320 C ASP A 53 7.737 -0.753 -4.754 1.00 0.00 C ATOM 321 O ASP A 53 7.043 -0.396 -5.707 1.00 0.00 O ATOM 322 CB ASP A 53 8.382 -3.150 -4.437 1.00 0.00 C ATOM 323 CG ASP A 53 9.345 -4.261 -4.807 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.555 -3.979 -4.938 1.00 0.00 O ATOM 325 OD2 ASP A 53 8.889 -5.412 -4.966 1.00 0.00 O ATOM 0 H ASP A 53 10.373 -2.024 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 53 9.080 -1.854 -6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.268 -3.117 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.399 -3.371 -4.854 1.00 0.00 H new ATOM 330 N LEU A 54 7.572 -0.282 -3.523 1.00 0.00 N ATOM 331 CA LEU A 54 6.544 0.705 -3.212 1.00 0.00 C ATOM 332 C LEU A 54 6.735 1.970 -4.043 1.00 0.00 C ATOM 333 O LEU A 54 5.808 2.434 -4.707 1.00 0.00 O ATOM 334 CB LEU A 54 6.573 1.050 -1.723 1.00 0.00 C ATOM 335 CG LEU A 54 5.930 0.029 -0.784 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.827 0.590 0.626 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.558 -0.379 -1.300 1.00 0.00 C ATOM 0 H LEU A 54 8.137 -0.568 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 54 5.574 0.273 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.612 1.186 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.072 2.008 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 54 6.563 -0.858 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.367 -0.151 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.824 0.831 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.216 1.493 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.115 -1.106 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.916 0.500 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.659 -0.823 -2.290 1.00 0.00 H new ATOM 349 N GLU A 55 7.944 2.522 -4.002 1.00 0.00 N ATOM 350 CA GLU A 55 8.256 3.732 -4.753 1.00 0.00 C ATOM 351 C GLU A 55 7.727 3.638 -6.181 1.00 0.00 C ATOM 352 O GLU A 55 6.958 4.489 -6.628 1.00 0.00 O ATOM 353 CB GLU A 55 9.767 3.972 -4.771 1.00 0.00 C ATOM 354 CG GLU A 55 10.342 4.336 -3.413 1.00 0.00 C ATOM 355 CD GLU A 55 11.844 4.546 -3.452 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.287 5.541 -4.063 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.575 3.716 -2.873 1.00 0.00 O ATOM 0 H GLU A 55 8.722 2.151 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 55 7.768 4.572 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.265 3.074 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.991 4.772 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.861 5.245 -3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.108 3.546 -2.700 1.00 0.00 H new ATOM 364 N LYS A 56 8.147 2.598 -6.894 1.00 0.00 N ATOM 365 CA LYS A 56 7.717 2.391 -8.271 1.00 0.00 C ATOM 366 C LYS A 56 6.201 2.240 -8.351 1.00 0.00 C ATOM 367 O LYS A 56 5.539 2.928 -9.130 1.00 0.00 O ATOM 368 CB LYS A 56 8.394 1.150 -8.858 1.00 0.00 C ATOM 369 CG LYS A 56 9.820 1.396 -9.319 1.00 0.00 C ATOM 370 CD LYS A 56 10.773 1.523 -8.142 1.00 0.00 C ATOM 371 CE LYS A 56 12.153 1.982 -8.588 1.00 0.00 C ATOM 372 NZ LYS A 56 12.889 2.672 -7.493 1.00 0.00 N ATOM 0 H LYS A 56 8.785 1.885 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 56 8.009 3.266 -8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.395 0.358 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.805 0.790 -9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.142 0.577 -9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.858 2.306 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.368 2.232 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.855 0.562 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.730 1.122 -8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.054 2.655 -9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.100 3.649 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.304 2.681 -6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.778 2.168 -7.301 1.00 0.00 H new ATOM 386 N LEU A 57 5.657 1.339 -7.542 1.00 0.00 N ATOM 387 CA LEU A 57 4.218 1.100 -7.520 1.00 0.00 C ATOM 388 C LEU A 57 3.446 2.411 -7.626 1.00 0.00 C ATOM 389 O LEU A 57 2.787 2.675 -8.632 1.00 0.00 O ATOM 390 CB LEU A 57 3.823 0.365 -6.237 1.00 0.00 C ATOM 391 CG LEU A 57 2.325 0.298 -5.937 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.639 -0.695 -6.863 1.00 0.00 C ATOM 393 CD2 LEU A 57 2.090 -0.078 -4.481 1.00 0.00 C ATOM 0 H LEU A 57 6.190 0.761 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 57 3.965 0.480 -8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.208 -0.653 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.320 0.849 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 57 1.894 1.284 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.574 -0.729 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.779 -0.383 -7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.073 -1.685 -6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.019 -0.121 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.535 -1.053 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.548 0.670 -3.834 1.00 0.00 H new ATOM 405 N PHE A 58 3.535 3.230 -6.584 1.00 0.00 N ATOM 406 CA PHE A 58 2.846 4.515 -6.560 1.00 0.00 C ATOM 407 C PHE A 58 3.404 5.451 -7.628 1.00 0.00 C ATOM 408 O PHE A 58 2.653 6.056 -8.393 1.00 0.00 O ATOM 409 CB PHE A 58 2.976 5.163 -5.180 1.00 0.00 C ATOM 410 CG PHE A 58 2.217 4.439 -4.105 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.832 4.417 -4.111 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.889 3.779 -3.088 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.131 3.753 -3.122 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.194 3.113 -2.097 1.00 0.00 C ATOM 415 CZ PHE A 58 0.813 3.099 -2.114 1.00 0.00 C ATOM 0 H PHE A 58 4.078 3.027 -5.745 1.00 0.00 H new ATOM 0 HA PHE A 58 1.792 4.337 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.030 5.205 -4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.620 6.192 -5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.294 4.925 -4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.969 3.785 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.949 3.745 -3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.730 2.604 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.267 2.578 -1.341 1.00 0.00 H new ATOM 425 N SER A 59 4.728 5.565 -7.673 1.00 0.00 N ATOM 426 CA SER A 59 5.388 6.430 -8.644 1.00 0.00 C ATOM 427 C SER A 59 4.679 6.374 -9.993 1.00 0.00 C ATOM 428 O SER A 59 4.411 7.405 -10.609 1.00 0.00 O ATOM 429 CB SER A 59 6.854 6.023 -8.808 1.00 0.00 C ATOM 430 OG SER A 59 7.461 6.724 -9.879 1.00 0.00 O ATOM 0 H SER A 59 5.364 5.069 -7.049 1.00 0.00 H new ATOM 0 HA SER A 59 5.342 7.453 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.396 6.224 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.919 4.950 -8.988 1.00 0.00 H new ATOM 0 HG SER A 59 8.397 6.447 -9.962 1.00 0.00 H new ATOM 436 N ALA A 60 4.378 5.161 -10.446 1.00 0.00 N ATOM 437 CA ALA A 60 3.698 4.969 -11.721 1.00 0.00 C ATOM 438 C ALA A 60 2.577 5.987 -11.905 1.00 0.00 C ATOM 439 O ALA A 60 2.430 6.576 -12.976 1.00 0.00 O ATOM 440 CB ALA A 60 3.148 3.553 -11.817 1.00 0.00 C ATOM 0 H ALA A 60 4.594 4.297 -9.949 1.00 0.00 H new ATOM 0 HA ALA A 60 4.425 5.120 -12.519 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.643 3.423 -12.774 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.967 2.838 -11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.440 3.382 -11.006 1.00 0.00 H new ATOM 446 N TYR A 61 1.790 6.189 -10.854 1.00 0.00 N ATOM 447 CA TYR A 61 0.680 7.134 -10.901 1.00 0.00 C ATOM 448 C TYR A 61 1.188 8.562 -11.077 1.00 0.00 C ATOM 449 O TYR A 61 0.678 9.317 -11.903 1.00 0.00 O ATOM 450 CB TYR A 61 -0.158 7.032 -9.626 1.00 0.00 C ATOM 451 CG TYR A 61 -1.017 5.790 -9.563 1.00 0.00 C ATOM 452 CD1 TYR A 61 -0.506 4.591 -9.082 1.00 0.00 C ATOM 453 CD2 TYR A 61 -2.341 5.815 -9.985 1.00 0.00 C ATOM 454 CE1 TYR A 61 -1.288 3.453 -9.024 1.00 0.00 C ATOM 455 CE2 TYR A 61 -3.130 4.683 -9.929 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.599 3.504 -9.448 1.00 0.00 C ATOM 457 OH TYR A 61 -3.381 2.374 -9.390 1.00 0.00 O ATOM 0 H TYR A 61 1.900 5.711 -9.959 1.00 0.00 H new ATOM 0 HA TYR A 61 0.056 6.881 -11.758 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.507 7.048 -8.762 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.799 7.911 -9.551 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.520 4.547 -8.748 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.760 6.736 -10.363 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.874 2.529 -8.649 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.157 4.720 -10.260 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.084 1.808 -8.647 1.00 0.00 H new ATOM 467 N GLY A 62 2.199 8.924 -10.293 1.00 0.00 N ATOM 468 CA GLY A 62 2.761 10.260 -10.377 1.00 0.00 C ATOM 469 C GLY A 62 4.062 10.391 -9.611 1.00 0.00 C ATOM 470 O GLY A 62 4.523 9.450 -8.964 1.00 0.00 O ATOM 0 H GLY A 62 2.639 8.317 -9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.932 10.514 -11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.040 10.979 -9.988 1.00 0.00 H new ATOM 474 N PRO A 63 4.677 11.581 -9.680 1.00 0.00 N ATOM 475 CA PRO A 63 5.942 11.859 -8.994 1.00 0.00 C ATOM 476 C PRO A 63 5.779 11.921 -7.479 1.00 0.00 C ATOM 477 O PRO A 63 5.122 12.820 -6.952 1.00 0.00 O ATOM 478 CB PRO A 63 6.351 13.228 -9.544 1.00 0.00 C ATOM 479 CG PRO A 63 5.070 13.866 -9.961 1.00 0.00 C ATOM 480 CD PRO A 63 4.184 12.746 -10.433 1.00 0.00 C ATOM 0 HA PRO A 63 6.680 11.076 -9.169 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.861 13.823 -8.786 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.036 13.128 -10.386 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.612 14.402 -9.130 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.237 14.593 -10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.134 12.947 -10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.268 12.594 -11.509 1.00 0.00 H new ATOM 488 N LEU A 64 6.380 10.962 -6.784 1.00 0.00 N ATOM 489 CA LEU A 64 6.301 10.908 -5.328 1.00 0.00 C ATOM 490 C LEU A 64 7.115 12.034 -4.697 1.00 0.00 C ATOM 491 O LEU A 64 8.206 12.361 -5.164 1.00 0.00 O ATOM 492 CB LEU A 64 6.802 9.555 -4.820 1.00 0.00 C ATOM 493 CG LEU A 64 6.095 8.323 -5.387 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.802 7.051 -4.943 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.635 8.301 -4.958 1.00 0.00 C ATOM 0 H LEU A 64 6.927 10.211 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 64 5.257 11.033 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.865 9.475 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.705 9.538 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 64 6.132 8.375 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.285 6.185 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.832 7.063 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.796 6.992 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.148 7.418 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.576 8.273 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.134 9.197 -5.326 1.00 0.00 H new ATOM 507 N SER A 65 6.578 12.620 -3.632 1.00 0.00 N ATOM 508 CA SER A 65 7.253 13.710 -2.938 1.00 0.00 C ATOM 509 C SER A 65 8.063 13.182 -1.757 1.00 0.00 C ATOM 510 O SER A 65 9.111 13.731 -1.416 1.00 0.00 O ATOM 511 CB SER A 65 6.234 14.742 -2.450 1.00 0.00 C ATOM 512 OG SER A 65 6.878 15.845 -1.837 1.00 0.00 O ATOM 0 H SER A 65 5.677 12.358 -3.231 1.00 0.00 H new ATOM 0 HA SER A 65 7.935 14.188 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.633 15.089 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.551 14.275 -1.740 1.00 0.00 H new ATOM 0 HG SER A 65 6.205 16.490 -1.535 1.00 0.00 H new ATOM 518 N GLU A 66 7.569 12.114 -1.139 1.00 0.00 N ATOM 519 CA GLU A 66 8.247 11.513 0.004 1.00 0.00 C ATOM 520 C GLU A 66 7.613 10.173 0.369 1.00 0.00 C ATOM 521 O GLU A 66 6.398 10.000 0.267 1.00 0.00 O ATOM 522 CB GLU A 66 8.200 12.456 1.208 1.00 0.00 C ATOM 523 CG GLU A 66 8.876 11.896 2.447 1.00 0.00 C ATOM 524 CD GLU A 66 10.380 12.089 2.429 1.00 0.00 C ATOM 525 OE1 GLU A 66 11.048 11.469 1.576 1.00 0.00 O ATOM 526 OE2 GLU A 66 10.888 12.862 3.269 1.00 0.00 O ATOM 0 H GLU A 66 6.703 11.648 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 66 9.287 11.341 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.677 13.399 0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.159 12.681 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.462 12.379 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.651 10.833 2.530 1.00 0.00 H new ATOM 533 N LEU A 67 8.445 9.229 0.793 1.00 0.00 N ATOM 534 CA LEU A 67 7.968 7.903 1.173 1.00 0.00 C ATOM 535 C LEU A 67 8.383 7.564 2.601 1.00 0.00 C ATOM 536 O LEU A 67 9.449 7.971 3.063 1.00 0.00 O ATOM 537 CB LEU A 67 8.511 6.848 0.208 1.00 0.00 C ATOM 538 CG LEU A 67 7.911 5.448 0.338 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.554 5.383 -0.346 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.855 4.407 -0.246 1.00 0.00 C ATOM 0 H LEU A 67 9.453 9.356 0.883 1.00 0.00 H new ATOM 0 HA LEU A 67 6.879 7.907 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.348 7.198 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.589 6.774 0.351 1.00 0.00 H new ATOM 0 HG LEU A 67 7.772 5.230 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.142 4.379 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.878 6.102 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.668 5.622 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.412 3.416 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.026 4.622 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.804 4.436 0.289 1.00 0.00 H new ATOM 552 N HIS A 68 7.534 6.813 3.296 1.00 0.00 N ATOM 553 CA HIS A 68 7.813 6.416 4.671 1.00 0.00 C ATOM 554 C HIS A 68 7.532 4.931 4.876 1.00 0.00 C ATOM 555 O HIS A 68 6.380 4.521 5.024 1.00 0.00 O ATOM 556 CB HIS A 68 6.974 7.245 5.644 1.00 0.00 C ATOM 557 CG HIS A 68 7.437 7.149 7.066 1.00 0.00 C ATOM 558 ND1 HIS A 68 8.055 6.030 7.583 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.369 8.043 8.081 1.00 0.00 C ATOM 560 CE1 HIS A 68 8.346 6.239 8.854 1.00 0.00 C ATOM 561 NE2 HIS A 68 7.941 7.453 9.181 1.00 0.00 N ATOM 0 H HIS A 68 6.647 6.467 2.929 1.00 0.00 H new ATOM 0 HA HIS A 68 8.870 6.598 4.868 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.997 8.289 5.333 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.936 6.918 5.586 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.944 9.035 8.034 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.833 5.536 9.514 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.037 7.882 10.101 1.00 0.00 H new ATOM 570 N TYR A 69 8.591 4.129 4.882 1.00 0.00 N ATOM 571 CA TYR A 69 8.458 2.688 5.065 1.00 0.00 C ATOM 572 C TYR A 69 9.107 2.243 6.372 1.00 0.00 C ATOM 573 O TYR A 69 10.305 1.968 6.438 1.00 0.00 O ATOM 574 CB TYR A 69 9.090 1.943 3.889 1.00 0.00 C ATOM 575 CG TYR A 69 8.514 0.562 3.667 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.140 0.354 3.658 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.344 -0.534 3.467 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.610 -0.905 3.457 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.822 -1.797 3.263 1.00 0.00 C ATOM 580 CZ TYR A 69 7.455 -1.977 3.259 1.00 0.00 C ATOM 581 OH TYR A 69 6.931 -3.234 3.058 1.00 0.00 O ATOM 0 H TYR A 69 9.551 4.452 4.762 1.00 0.00 H new ATOM 0 HA TYR A 69 7.395 2.449 5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.957 2.533 2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.163 1.857 4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.475 1.191 3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.415 -0.397 3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.540 -1.050 3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.481 -2.638 3.108 1.00 0.00 H new ATOM 0 HH TYR A 69 7.627 -3.825 2.702 1.00 0.00 H new ATOM 591 N PRO A 70 8.297 2.168 7.439 1.00 0.00 N ATOM 592 CA PRO A 70 8.768 1.755 8.764 1.00 0.00 C ATOM 593 C PRO A 70 9.133 0.275 8.814 1.00 0.00 C ATOM 594 O PRO A 70 8.466 -0.559 8.201 1.00 0.00 O ATOM 595 CB PRO A 70 7.570 2.042 9.672 1.00 0.00 C ATOM 596 CG PRO A 70 6.387 1.978 8.770 1.00 0.00 C ATOM 597 CD PRO A 70 6.858 2.481 7.433 1.00 0.00 C ATOM 0 HA PRO A 70 9.677 2.281 9.056 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.496 1.308 10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.656 3.021 10.143 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.010 0.958 8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.571 2.591 9.152 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.342 1.984 6.612 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.680 3.550 7.320 1.00 0.00 H new ATOM 605 N ILE A 71 10.193 -0.043 9.548 1.00 0.00 N ATOM 606 CA ILE A 71 10.644 -1.423 9.679 1.00 0.00 C ATOM 607 C ILE A 71 11.167 -1.700 11.085 1.00 0.00 C ATOM 608 O ILE A 71 11.974 -0.939 11.619 1.00 0.00 O ATOM 609 CB ILE A 71 11.749 -1.754 8.659 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.297 -1.381 7.245 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.114 -3.229 8.732 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.244 -2.311 6.683 1.00 0.00 C ATOM 0 H ILE A 71 10.756 0.636 10.061 1.00 0.00 H new ATOM 0 HA ILE A 71 9.779 -2.057 9.484 1.00 0.00 H new ATOM 0 HB ILE A 71 12.635 -1.168 8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.905 -0.364 7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.163 -1.383 6.583 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.896 -3.447 8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.473 -3.466 9.733 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.234 -3.833 8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.971 -1.987 5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.640 -3.326 6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.362 -2.291 7.323 1.00 0.00 H new ATOM 624 N ASP A 72 10.702 -2.793 11.678 1.00 0.00 N ATOM 625 CA ASP A 72 11.124 -3.173 13.022 1.00 0.00 C ATOM 626 C ASP A 72 12.637 -3.364 13.082 1.00 0.00 C ATOM 627 O ASP A 72 13.259 -3.778 12.105 1.00 0.00 O ATOM 628 CB ASP A 72 10.418 -4.457 13.458 1.00 0.00 C ATOM 629 CG ASP A 72 9.022 -4.198 13.990 1.00 0.00 C ATOM 630 OD1 ASP A 72 8.902 -3.780 15.160 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.049 -4.415 13.237 1.00 0.00 O ATOM 0 H ASP A 72 10.032 -3.432 11.250 1.00 0.00 H new ATOM 0 HA ASP A 72 10.849 -2.368 13.704 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.360 -5.142 12.612 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.011 -4.951 14.228 1.00 0.00 H new ATOM 636 N SER A 73 13.221 -3.058 14.236 1.00 0.00 N ATOM 637 CA SER A 73 14.661 -3.191 14.423 1.00 0.00 C ATOM 638 C SER A 73 15.013 -4.572 14.967 1.00 0.00 C ATOM 639 O SER A 73 16.187 -4.925 15.084 1.00 0.00 O ATOM 640 CB SER A 73 15.175 -2.109 15.374 1.00 0.00 C ATOM 641 OG SER A 73 15.038 -0.819 14.802 1.00 0.00 O ATOM 0 H SER A 73 12.719 -2.716 15.056 1.00 0.00 H new ATOM 0 HA SER A 73 15.141 -3.069 13.452 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.623 -2.154 16.313 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.223 -2.296 15.610 1.00 0.00 H new ATOM 0 HG SER A 73 15.372 -0.145 15.430 1.00 0.00 H new ATOM 647 N LEU A 74 13.987 -5.349 15.299 1.00 0.00 N ATOM 648 CA LEU A 74 14.186 -6.692 15.832 1.00 0.00 C ATOM 649 C LEU A 74 13.842 -7.749 14.788 1.00 0.00 C ATOM 650 O LEU A 74 14.612 -8.680 14.552 1.00 0.00 O ATOM 651 CB LEU A 74 13.331 -6.897 17.084 1.00 0.00 C ATOM 652 CG LEU A 74 13.574 -5.916 18.231 1.00 0.00 C ATOM 653 CD1 LEU A 74 12.422 -5.959 19.223 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.891 -6.225 18.927 1.00 0.00 C ATOM 0 H LEU A 74 13.010 -5.072 15.208 1.00 0.00 H new ATOM 0 HA LEU A 74 15.238 -6.799 16.097 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.281 -6.836 16.797 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.502 -7.908 17.455 1.00 0.00 H new ATOM 0 HG LEU A 74 13.632 -4.910 17.817 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.612 -5.254 20.032 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.496 -5.688 18.717 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.331 -6.965 19.632 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.047 -5.517 19.741 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.862 -7.238 19.328 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.709 -6.142 18.211 1.00 0.00 H new ATOM 666 N THR A 75 12.679 -7.597 14.161 1.00 0.00 N ATOM 667 CA THR A 75 12.232 -8.537 13.141 1.00 0.00 C ATOM 668 C THR A 75 12.677 -8.093 11.752 1.00 0.00 C ATOM 669 O THR A 75 12.547 -8.837 10.780 1.00 0.00 O ATOM 670 CB THR A 75 10.699 -8.691 13.151 1.00 0.00 C ATOM 671 OG1 THR A 75 10.090 -7.571 12.500 1.00 0.00 O ATOM 672 CG2 THR A 75 10.176 -8.801 14.576 1.00 0.00 C ATOM 0 H THR A 75 12.030 -6.831 14.342 1.00 0.00 H new ATOM 0 HA THR A 75 12.688 -9.499 13.376 1.00 0.00 H new ATOM 0 HB THR A 75 10.444 -9.605 12.615 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.116 -7.677 12.509 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.092 -8.909 14.558 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.619 -9.671 15.060 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.442 -7.902 15.132 1.00 0.00 H new ATOM 680 N LYS A 76 13.204 -6.877 11.665 1.00 0.00 N ATOM 681 CA LYS A 76 13.671 -6.334 10.395 1.00 0.00 C ATOM 682 C LYS A 76 12.581 -6.421 9.332 1.00 0.00 C ATOM 683 O LYS A 76 12.867 -6.459 8.135 1.00 0.00 O ATOM 684 CB LYS A 76 14.919 -7.084 9.924 1.00 0.00 C ATOM 685 CG LYS A 76 16.058 -7.061 10.928 1.00 0.00 C ATOM 686 CD LYS A 76 15.718 -7.859 12.176 1.00 0.00 C ATOM 687 CE LYS A 76 16.965 -8.449 12.817 1.00 0.00 C ATOM 688 NZ LYS A 76 17.864 -7.392 13.357 1.00 0.00 N ATOM 0 H LYS A 76 13.319 -6.248 12.460 1.00 0.00 H new ATOM 0 HA LYS A 76 13.922 -5.284 10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.652 -8.120 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.263 -6.647 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.958 -7.469 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.280 -6.030 11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.209 -7.215 12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.026 -8.661 11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.675 -9.125 13.622 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.505 -9.044 12.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.702 -7.835 13.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.162 -6.762 12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.357 -6.840 14.078 1.00 0.00 H new ATOM 702 N LYS A 77 11.329 -6.451 9.776 1.00 0.00 N ATOM 703 CA LYS A 77 10.194 -6.531 8.864 1.00 0.00 C ATOM 704 C LYS A 77 9.163 -5.453 9.182 1.00 0.00 C ATOM 705 O LYS A 77 8.969 -5.068 10.335 1.00 0.00 O ATOM 706 CB LYS A 77 9.545 -7.914 8.945 1.00 0.00 C ATOM 707 CG LYS A 77 10.327 -8.997 8.221 1.00 0.00 C ATOM 708 CD LYS A 77 9.524 -10.282 8.107 1.00 0.00 C ATOM 709 CE LYS A 77 10.370 -11.420 7.556 1.00 0.00 C ATOM 710 NZ LYS A 77 10.342 -11.460 6.067 1.00 0.00 N ATOM 0 H LYS A 77 11.074 -6.421 10.763 1.00 0.00 H new ATOM 0 HA LYS A 77 10.562 -6.368 7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.437 -8.195 9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.541 -7.860 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.599 -8.647 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.257 -9.194 8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.135 -10.558 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.664 -10.119 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.399 -11.306 7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.006 -12.368 7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.930 -12.249 5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.363 -11.594 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.713 -10.565 5.689 1.00 0.00 H new ATOM 724 N PRO A 78 8.484 -4.956 8.138 1.00 0.00 N ATOM 725 CA PRO A 78 7.459 -3.917 8.283 1.00 0.00 C ATOM 726 C PRO A 78 6.204 -4.434 8.978 1.00 0.00 C ATOM 727 O PRO A 78 5.843 -5.603 8.842 1.00 0.00 O ATOM 728 CB PRO A 78 7.146 -3.524 6.837 1.00 0.00 C ATOM 729 CG PRO A 78 7.500 -4.727 6.032 1.00 0.00 C ATOM 730 CD PRO A 78 8.663 -5.369 6.736 1.00 0.00 C ATOM 0 HA PRO A 78 7.804 -3.087 8.900 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.095 -3.262 6.717 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.728 -2.656 6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.656 -5.414 5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.766 -4.450 5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.647 -6.454 6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.616 -5.024 6.334 1.00 0.00 H new ATOM 738 N LYS A 79 5.542 -3.556 9.724 1.00 0.00 N ATOM 739 CA LYS A 79 4.326 -3.922 10.440 1.00 0.00 C ATOM 740 C LYS A 79 3.142 -4.026 9.484 1.00 0.00 C ATOM 741 O LYS A 79 2.041 -4.402 9.883 1.00 0.00 O ATOM 742 CB LYS A 79 4.024 -2.894 11.533 1.00 0.00 C ATOM 743 CG LYS A 79 5.160 -2.708 12.524 1.00 0.00 C ATOM 744 CD LYS A 79 6.121 -1.621 12.073 1.00 0.00 C ATOM 745 CE LYS A 79 6.838 -0.986 13.255 1.00 0.00 C ATOM 746 NZ LYS A 79 5.956 -0.043 13.997 1.00 0.00 N ATOM 0 H LYS A 79 5.828 -2.585 9.848 1.00 0.00 H new ATOM 0 HA LYS A 79 4.485 -4.897 10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.800 -1.935 11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.129 -3.203 12.073 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.753 -2.452 13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.700 -3.647 12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.854 -2.044 11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.574 -0.855 11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.185 -1.767 13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.722 -0.455 12.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.376 0.909 13.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.020 -0.015 13.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.856 -0.363 14.982 1.00 0.00 H new ATOM 760 N GLY A 80 3.378 -3.693 8.218 1.00 0.00 N ATOM 761 CA GLY A 80 2.322 -3.757 7.225 1.00 0.00 C ATOM 762 C GLY A 80 1.587 -2.440 7.075 1.00 0.00 C ATOM 763 O GLY A 80 0.362 -2.415 6.950 1.00 0.00 O ATOM 0 H GLY A 80 4.282 -3.380 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.748 -4.043 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.612 -4.536 7.503 1.00 0.00 H new ATOM 767 N PHE A 81 2.334 -1.341 7.088 1.00 0.00 N ATOM 768 CA PHE A 81 1.746 -0.014 6.955 1.00 0.00 C ATOM 769 C PHE A 81 2.791 1.002 6.503 1.00 0.00 C ATOM 770 O PHE A 81 3.982 0.840 6.763 1.00 0.00 O ATOM 771 CB PHE A 81 1.129 0.429 8.284 1.00 0.00 C ATOM 772 CG PHE A 81 2.099 1.133 9.190 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.391 2.474 9.004 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.718 0.453 10.226 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.283 3.125 9.836 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.609 1.098 11.061 1.00 0.00 C ATOM 777 CZ PHE A 81 3.894 2.436 10.865 1.00 0.00 C ATOM 0 H PHE A 81 3.349 -1.344 7.189 1.00 0.00 H new ATOM 0 HA PHE A 81 0.964 -0.065 6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.287 1.091 8.082 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.731 -0.445 8.800 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.917 3.017 8.200 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.501 -0.593 10.382 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.502 4.171 9.681 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.083 0.557 11.867 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.593 2.942 11.515 1.00 0.00 H new ATOM 787 N ALA A 82 2.334 2.048 5.823 1.00 0.00 N ATOM 788 CA ALA A 82 3.228 3.091 5.335 1.00 0.00 C ATOM 789 C ALA A 82 2.453 4.354 4.973 1.00 0.00 C ATOM 790 O ALA A 82 1.222 4.361 4.977 1.00 0.00 O ATOM 791 CB ALA A 82 4.017 2.591 4.134 1.00 0.00 C ATOM 0 H ALA A 82 1.350 2.196 5.597 1.00 0.00 H new ATOM 0 HA ALA A 82 3.925 3.341 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.680 3.380 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.609 1.722 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.328 2.312 3.337 1.00 0.00 H new ATOM 797 N PHE A 83 3.181 5.420 4.661 1.00 0.00 N ATOM 798 CA PHE A 83 2.562 6.690 4.298 1.00 0.00 C ATOM 799 C PHE A 83 3.253 7.305 3.085 1.00 0.00 C ATOM 800 O PHE A 83 4.438 7.635 3.133 1.00 0.00 O ATOM 801 CB PHE A 83 2.615 7.663 5.478 1.00 0.00 C ATOM 802 CG PHE A 83 1.471 7.504 6.438 1.00 0.00 C ATOM 803 CD1 PHE A 83 0.283 8.189 6.240 1.00 0.00 C ATOM 804 CD2 PHE A 83 1.583 6.670 7.538 1.00 0.00 C ATOM 805 CE1 PHE A 83 -0.772 8.045 7.122 1.00 0.00 C ATOM 806 CE2 PHE A 83 0.532 6.521 8.423 1.00 0.00 C ATOM 807 CZ PHE A 83 -0.647 7.210 8.215 1.00 0.00 C ATOM 0 H PHE A 83 4.201 5.430 4.652 1.00 0.00 H new ATOM 0 HA PHE A 83 1.520 6.498 4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.552 7.519 6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.620 8.684 5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.180 8.843 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.503 6.130 7.706 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.693 8.585 6.956 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.632 5.867 9.276 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.469 7.096 8.906 1.00 0.00 H new ATOM 817 N VAL A 84 2.503 7.456 1.998 1.00 0.00 N ATOM 818 CA VAL A 84 3.042 8.031 0.771 1.00 0.00 C ATOM 819 C VAL A 84 2.511 9.442 0.547 1.00 0.00 C ATOM 820 O VAL A 84 1.336 9.722 0.790 1.00 0.00 O ATOM 821 CB VAL A 84 2.699 7.164 -0.454 1.00 0.00 C ATOM 822 CG1 VAL A 84 3.295 7.765 -1.718 1.00 0.00 C ATOM 823 CG2 VAL A 84 3.187 5.738 -0.250 1.00 0.00 C ATOM 0 H VAL A 84 1.520 7.188 1.942 1.00 0.00 H new ATOM 0 HA VAL A 84 4.125 8.068 0.888 1.00 0.00 H new ATOM 0 HB VAL A 84 1.615 7.140 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.042 7.138 -2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.892 8.766 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.379 7.822 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.936 5.139 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.268 5.740 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.707 5.312 0.631 1.00 0.00 H new ATOM 833 N THR A 85 3.383 10.331 0.080 1.00 0.00 N ATOM 834 CA THR A 85 3.002 11.714 -0.177 1.00 0.00 C ATOM 835 C THR A 85 3.317 12.112 -1.614 1.00 0.00 C ATOM 836 O THR A 85 4.477 12.318 -1.972 1.00 0.00 O ATOM 837 CB THR A 85 3.721 12.682 0.782 1.00 0.00 C ATOM 838 OG1 THR A 85 3.461 12.310 2.140 1.00 0.00 O ATOM 839 CG2 THR A 85 3.265 14.114 0.547 1.00 0.00 C ATOM 0 H THR A 85 4.358 10.117 -0.128 1.00 0.00 H new ATOM 0 HA THR A 85 1.927 11.782 -0.011 1.00 0.00 H new ATOM 0 HB THR A 85 4.792 12.622 0.588 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.923 12.929 2.743 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.786 14.779 1.235 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.491 14.404 -0.479 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.191 14.186 0.716 1.00 0.00 H new ATOM 847 N PHE A 86 2.277 12.220 -2.435 1.00 0.00 N ATOM 848 CA PHE A 86 2.443 12.594 -3.834 1.00 0.00 C ATOM 849 C PHE A 86 2.769 14.079 -3.965 1.00 0.00 C ATOM 850 O PHE A 86 2.359 14.891 -3.136 1.00 0.00 O ATOM 851 CB PHE A 86 1.175 12.267 -4.625 1.00 0.00 C ATOM 852 CG PHE A 86 1.052 10.815 -4.987 1.00 0.00 C ATOM 853 CD1 PHE A 86 1.612 10.329 -6.158 1.00 0.00 C ATOM 854 CD2 PHE A 86 0.377 9.935 -4.156 1.00 0.00 C ATOM 855 CE1 PHE A 86 1.499 8.993 -6.493 1.00 0.00 C ATOM 856 CE2 PHE A 86 0.262 8.598 -4.486 1.00 0.00 C ATOM 857 CZ PHE A 86 0.825 8.126 -5.656 1.00 0.00 C ATOM 0 H PHE A 86 1.310 12.054 -2.155 1.00 0.00 H new ATOM 0 HA PHE A 86 3.275 12.020 -4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.305 12.562 -4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.162 12.863 -5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.142 11.002 -6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.064 10.298 -3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.938 8.627 -7.409 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.267 7.923 -3.830 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.738 7.081 -5.915 1.00 0.00 H new ATOM 867 N MET A 87 3.510 14.426 -5.012 1.00 0.00 N ATOM 868 CA MET A 87 3.891 15.813 -5.253 1.00 0.00 C ATOM 869 C MET A 87 2.674 16.655 -5.623 1.00 0.00 C ATOM 870 O MET A 87 2.523 17.785 -5.158 1.00 0.00 O ATOM 871 CB MET A 87 4.937 15.892 -6.366 1.00 0.00 C ATOM 872 CG MET A 87 6.322 15.440 -5.931 1.00 0.00 C ATOM 873 SD MET A 87 7.591 15.815 -7.155 1.00 0.00 S ATOM 874 CE MET A 87 8.625 16.951 -6.234 1.00 0.00 C ATOM 0 H MET A 87 3.859 13.766 -5.707 1.00 0.00 H new ATOM 0 HA MET A 87 4.320 16.210 -4.333 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.610 15.278 -7.205 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.995 16.919 -6.726 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.578 15.923 -4.988 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.308 14.366 -5.745 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.457 17.274 -6.859 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.037 17.819 -5.936 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.011 16.452 -5.345 1.00 0.00 H new ATOM 884 N PHE A 88 1.808 16.098 -6.463 1.00 0.00 N ATOM 885 CA PHE A 88 0.605 16.798 -6.897 1.00 0.00 C ATOM 886 C PHE A 88 -0.646 16.129 -6.334 1.00 0.00 C ATOM 887 O PHE A 88 -0.723 14.907 -6.205 1.00 0.00 O ATOM 888 CB PHE A 88 0.533 16.836 -8.425 1.00 0.00 C ATOM 889 CG PHE A 88 1.630 17.645 -9.056 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.873 17.082 -9.296 1.00 0.00 C ATOM 891 CD2 PHE A 88 1.418 18.967 -9.409 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.885 17.824 -9.877 1.00 0.00 C ATOM 893 CE2 PHE A 88 2.425 19.714 -9.991 1.00 0.00 C ATOM 894 CZ PHE A 88 3.661 19.141 -10.224 1.00 0.00 C ATOM 0 H PHE A 88 1.917 15.163 -6.857 1.00 0.00 H new ATOM 0 HA PHE A 88 0.652 17.819 -6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.577 15.817 -8.808 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.430 17.248 -8.725 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.054 16.052 -9.026 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.454 19.420 -9.227 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.850 17.374 -10.059 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.246 20.744 -10.263 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.450 19.723 -10.677 1.00 0.00 H new ATOM 904 N PRO A 89 -1.652 16.948 -5.992 1.00 0.00 N ATOM 905 CA PRO A 89 -2.918 16.459 -5.438 1.00 0.00 C ATOM 906 C PRO A 89 -3.751 15.709 -6.471 1.00 0.00 C ATOM 907 O PRO A 89 -4.313 14.654 -6.180 1.00 0.00 O ATOM 908 CB PRO A 89 -3.633 17.741 -5.002 1.00 0.00 C ATOM 909 CG PRO A 89 -3.060 18.808 -5.869 1.00 0.00 C ATOM 910 CD PRO A 89 -1.630 18.415 -6.119 1.00 0.00 C ATOM 0 HA PRO A 89 -2.761 15.746 -4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.711 17.658 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.459 17.952 -3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.612 18.888 -6.805 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.118 19.781 -5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.294 18.728 -7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.955 18.871 -5.394 1.00 0.00 H new ATOM 918 N GLU A 90 -3.825 16.261 -7.678 1.00 0.00 N ATOM 919 CA GLU A 90 -4.591 15.642 -8.754 1.00 0.00 C ATOM 920 C GLU A 90 -4.132 14.207 -8.993 1.00 0.00 C ATOM 921 O GLU A 90 -4.890 13.375 -9.493 1.00 0.00 O ATOM 922 CB GLU A 90 -4.452 16.456 -10.042 1.00 0.00 C ATOM 923 CG GLU A 90 -3.118 16.262 -10.743 1.00 0.00 C ATOM 924 CD GLU A 90 -3.145 15.124 -11.745 1.00 0.00 C ATOM 925 OE1 GLU A 90 -3.924 14.170 -11.539 1.00 0.00 O ATOM 926 OE2 GLU A 90 -2.386 15.188 -12.735 1.00 0.00 O ATOM 0 H GLU A 90 -3.365 17.134 -7.935 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.639 15.624 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.255 16.180 -10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.580 17.513 -9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.843 17.185 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.346 16.067 -9.999 1.00 0.00 H new ATOM 933 N HIS A 91 -2.884 13.923 -8.634 1.00 0.00 N ATOM 934 CA HIS A 91 -2.322 12.589 -8.810 1.00 0.00 C ATOM 935 C HIS A 91 -2.668 11.693 -7.624 1.00 0.00 C ATOM 936 O HIS A 91 -2.786 10.477 -7.767 1.00 0.00 O ATOM 937 CB HIS A 91 -0.804 12.670 -8.976 1.00 0.00 C ATOM 938 CG HIS A 91 -0.376 13.306 -10.262 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.852 13.911 -10.431 1.00 0.00 N ATOM 940 CD2 HIS A 91 -1.019 13.429 -11.447 1.00 0.00 C ATOM 941 CE1 HIS A 91 0.945 14.379 -11.662 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.177 14.099 -12.300 1.00 0.00 N ATOM 0 H HIS A 91 -2.243 14.599 -8.219 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.756 12.155 -9.711 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.385 13.235 -8.143 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.386 11.665 -8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.010 13.067 -11.678 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.794 14.902 -12.077 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.384 14.341 -13.269 1.00 0.00 H new ATOM 951 N ALA A 92 -2.829 12.304 -6.455 1.00 0.00 N ATOM 952 CA ALA A 92 -3.163 11.562 -5.245 1.00 0.00 C ATOM 953 C ALA A 92 -4.558 10.952 -5.343 1.00 0.00 C ATOM 954 O ALA A 92 -4.805 9.859 -4.832 1.00 0.00 O ATOM 955 CB ALA A 92 -3.065 12.467 -4.026 1.00 0.00 C ATOM 0 H ALA A 92 -2.734 13.311 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.445 10.749 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.317 11.899 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.048 12.851 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.759 13.300 -4.135 1.00 0.00 H new ATOM 961 N VAL A 93 -5.466 11.665 -6.001 1.00 0.00 N ATOM 962 CA VAL A 93 -6.836 11.194 -6.166 1.00 0.00 C ATOM 963 C VAL A 93 -6.882 9.925 -7.010 1.00 0.00 C ATOM 964 O VAL A 93 -7.440 8.909 -6.594 1.00 0.00 O ATOM 965 CB VAL A 93 -7.723 12.268 -6.823 1.00 0.00 C ATOM 966 CG1 VAL A 93 -9.033 11.659 -7.300 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.980 13.412 -5.854 1.00 0.00 C ATOM 0 H VAL A 93 -5.278 12.572 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.220 10.978 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.198 12.668 -7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.647 12.432 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.826 10.876 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.566 11.231 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.608 14.162 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.485 13.031 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.031 13.865 -5.566 1.00 0.00 H new ATOM 977 N LYS A 94 -6.293 9.991 -8.199 1.00 0.00 N ATOM 978 CA LYS A 94 -6.265 8.847 -9.104 1.00 0.00 C ATOM 979 C LYS A 94 -5.710 7.612 -8.402 1.00 0.00 C ATOM 980 O LYS A 94 -6.194 6.499 -8.608 1.00 0.00 O ATOM 981 CB LYS A 94 -5.419 9.168 -10.338 1.00 0.00 C ATOM 982 CG LYS A 94 -5.224 7.982 -11.267 1.00 0.00 C ATOM 983 CD LYS A 94 -4.384 8.354 -12.477 1.00 0.00 C ATOM 984 CE LYS A 94 -2.907 8.445 -12.124 1.00 0.00 C ATOM 985 NZ LYS A 94 -2.179 9.382 -13.023 1.00 0.00 N ATOM 0 H LYS A 94 -5.828 10.825 -8.559 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.288 8.637 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.892 9.979 -10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.443 9.530 -10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.742 7.169 -10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.195 7.613 -11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.526 7.611 -13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.723 9.310 -12.877 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.800 8.776 -11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.456 7.455 -12.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.180 9.429 -12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.245 9.043 -14.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.603 10.329 -12.954 1.00 0.00 H new ATOM 999 N ALA A 95 -4.693 7.815 -7.570 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.076 6.718 -6.835 1.00 0.00 C ATOM 1001 C ALA A 95 -5.036 6.143 -5.799 1.00 0.00 C ATOM 1002 O ALA A 95 -5.188 4.926 -5.689 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.793 7.188 -6.165 1.00 0.00 C ATOM 0 H ALA A 95 -4.279 8.729 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.834 5.928 -7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.343 6.359 -5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.096 7.545 -6.923 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.020 7.998 -5.472 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.680 7.024 -5.043 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.623 6.603 -4.013 1.00 0.00 C ATOM 1011 C TYR A 96 -7.882 6.010 -4.638 1.00 0.00 C ATOM 1012 O TYR A 96 -8.623 5.273 -3.987 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.994 7.786 -3.117 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.360 7.660 -2.482 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.689 6.553 -1.710 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.322 8.647 -2.655 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.936 6.432 -1.128 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.572 8.536 -2.076 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.874 7.427 -1.314 1.00 0.00 C ATOM 1020 OH TYR A 96 -12.118 7.312 -0.737 1.00 0.00 O ATOM 0 H TYR A 96 -5.567 8.034 -5.123 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.142 5.834 -3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.245 7.885 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.960 8.702 -3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.957 5.773 -1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.089 9.516 -3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -10.175 5.564 -0.531 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.308 9.313 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.658 8.097 -0.965 1.00 0.00 H new ATOM 1030 N ALA A 97 -8.117 6.336 -5.904 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.284 5.834 -6.619 1.00 0.00 C ATOM 1032 C ALA A 97 -8.980 4.504 -7.301 1.00 0.00 C ATOM 1033 O ALA A 97 -9.881 3.706 -7.554 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.758 6.857 -7.640 1.00 0.00 C ATOM 0 H ALA A 97 -7.514 6.946 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.080 5.666 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.630 6.469 -8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.024 7.783 -7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.960 7.053 -8.356 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.704 4.274 -7.596 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.283 3.041 -8.251 1.00 0.00 C ATOM 1042 C GLU A 98 -6.691 2.063 -7.240 1.00 0.00 C ATOM 1043 O GLU A 98 -7.157 0.932 -7.107 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.257 3.343 -9.346 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.846 4.055 -10.551 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.346 3.093 -11.611 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -7.999 2.094 -11.244 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -7.083 3.338 -12.807 1.00 0.00 O ATOM 0 H GLU A 98 -6.945 4.924 -7.392 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.162 2.582 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.460 3.956 -8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.802 2.408 -9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.669 4.691 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.091 4.709 -10.987 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.659 2.508 -6.530 1.00 0.00 N ATOM 1056 CA VAL A 99 -5.002 1.674 -5.530 1.00 0.00 C ATOM 1057 C VAL A 99 -6.016 1.077 -4.561 1.00 0.00 C ATOM 1058 O VAL A 99 -6.087 -0.141 -4.393 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.954 2.473 -4.733 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.300 1.592 -3.679 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.910 3.063 -5.668 1.00 0.00 C ATOM 0 H VAL A 99 -5.260 3.441 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.501 0.869 -6.068 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.458 3.294 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.562 2.173 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.060 1.222 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.808 0.749 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.178 3.624 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.408 2.259 -6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.395 3.729 -6.381 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.799 1.942 -3.926 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.811 1.500 -2.973 1.00 0.00 C ATOM 1073 C ASP A 100 -8.583 0.302 -3.517 1.00 0.00 C ATOM 1074 O ASP A 100 -9.532 0.459 -4.285 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.776 2.644 -2.655 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.700 2.960 -3.815 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.240 2.899 -4.974 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.884 3.270 -3.563 1.00 0.00 O ATOM 0 H ASP A 100 -6.753 2.953 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.305 1.197 -2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -9.372 2.381 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -8.205 3.536 -2.395 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.169 -0.895 -3.114 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.832 -2.102 -3.572 1.00 0.00 C ATOM 1085 C GLY A 101 -8.003 -2.872 -4.580 1.00 0.00 C ATOM 1086 O GLY A 101 -8.547 -3.528 -5.468 1.00 0.00 O ATOM 0 H GLY A 101 -7.386 -1.051 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.045 -2.743 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.790 -1.839 -4.020 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.684 -2.791 -4.444 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.778 -3.485 -5.353 1.00 0.00 C ATOM 1092 C GLN A 102 -4.918 -4.494 -4.599 1.00 0.00 C ATOM 1093 O GLN A 102 -4.398 -4.200 -3.522 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.886 -2.480 -6.082 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.608 -2.143 -5.331 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.669 -1.268 -6.138 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.830 -1.118 -7.350 1.00 0.00 O ATOM 1098 NE2 GLN A 102 -1.681 -0.685 -5.470 1.00 0.00 N ATOM 0 H GLN A 102 -6.218 -2.252 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.380 -4.024 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.627 -2.881 -7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.450 -1.563 -6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.861 -1.635 -4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.096 -3.066 -5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.585 -0.837 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.018 -0.085 -5.961 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.772 -5.684 -5.172 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.974 -6.737 -4.555 1.00 0.00 C ATOM 1109 C VAL A 103 -2.502 -6.599 -4.926 1.00 0.00 C ATOM 1110 O VAL A 103 -2.148 -6.570 -6.105 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.469 -8.134 -4.972 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.519 -9.210 -4.468 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.881 -8.374 -4.459 1.00 0.00 C ATOM 0 H VAL A 103 -5.196 -5.943 -6.063 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.086 -6.628 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.490 -8.183 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.885 -10.190 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.527 -9.046 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.463 -9.165 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.215 -9.366 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.889 -8.306 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.552 -7.622 -4.875 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.647 -6.516 -3.912 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.211 -6.381 -4.132 1.00 0.00 C ATOM 1125 C PHE A 104 0.555 -7.485 -3.410 1.00 0.00 C ATOM 1126 O PHE A 104 0.724 -7.443 -2.192 1.00 0.00 O ATOM 1127 CB PHE A 104 0.273 -5.011 -3.651 1.00 0.00 C ATOM 1128 CG PHE A 104 1.724 -4.754 -3.939 1.00 0.00 C ATOM 1129 CD1 PHE A 104 2.165 -4.570 -5.240 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.649 -4.696 -2.909 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.500 -4.333 -5.508 1.00 0.00 C ATOM 1132 CE2 PHE A 104 3.985 -4.458 -3.171 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.411 -4.278 -4.472 1.00 0.00 C ATOM 0 H PHE A 104 -1.923 -6.540 -2.930 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.022 -6.471 -5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.327 -4.235 -4.127 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.104 -4.931 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.457 -4.612 -6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.322 -4.838 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.830 -4.191 -6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.695 -4.413 -2.359 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.455 -4.095 -4.679 1.00 0.00 H new ATOM 1143 N GLN A 105 1.016 -8.472 -4.172 1.00 0.00 N ATOM 1144 CA GLN A 105 1.763 -9.589 -3.605 1.00 0.00 C ATOM 1145 C GLN A 105 0.890 -10.402 -2.655 1.00 0.00 C ATOM 1146 O GLN A 105 1.382 -10.988 -1.692 1.00 0.00 O ATOM 1147 CB GLN A 105 3.002 -9.078 -2.867 1.00 0.00 C ATOM 1148 CG GLN A 105 3.872 -8.155 -3.705 1.00 0.00 C ATOM 1149 CD GLN A 105 5.278 -8.019 -3.155 1.00 0.00 C ATOM 1150 OE1 GLN A 105 5.545 -8.375 -2.006 1.00 0.00 O ATOM 1151 NE2 GLN A 105 6.187 -7.503 -3.973 1.00 0.00 N ATOM 0 H GLN A 105 0.886 -8.521 -5.182 1.00 0.00 H new ATOM 0 HA GLN A 105 2.077 -10.237 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.687 -8.549 -1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.599 -9.930 -2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.920 -8.535 -4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.408 -7.170 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.922 -7.221 -4.917 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.150 -7.388 -3.658 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.410 -10.432 -2.933 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.331 -11.176 -2.094 1.00 0.00 C ATOM 1162 C GLY A 106 -1.690 -10.430 -0.824 1.00 0.00 C ATOM 1163 O GLY A 106 -2.030 -11.041 0.188 1.00 0.00 O ATOM 0 H GLY A 106 -0.842 -9.954 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.240 -11.388 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.886 -12.136 -1.834 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.613 -9.104 -0.877 1.00 0.00 N ATOM 1168 CA ARG A 107 -1.931 -8.273 0.278 1.00 0.00 C ATOM 1169 C ARG A 107 -2.937 -7.188 -0.092 1.00 0.00 C ATOM 1170 O ARG A 107 -2.647 -6.309 -0.903 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.658 -7.634 0.838 1.00 0.00 C ATOM 1172 CG ARG A 107 0.030 -8.476 1.899 1.00 0.00 C ATOM 1173 CD ARG A 107 -0.746 -8.470 3.206 1.00 0.00 C ATOM 1174 NE ARG A 107 -0.540 -9.696 3.972 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.243 -10.015 5.053 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.193 -9.202 5.493 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -0.996 -11.149 5.696 1.00 0.00 N ATOM 0 H ARG A 107 -1.333 -8.582 -1.708 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.376 -8.911 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.039 -7.456 0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.906 -6.661 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.134 -9.500 1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.037 -8.095 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.439 -7.613 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.809 -8.348 2.996 1.00 0.00 H new ATOM 0 HE ARG A 107 0.184 -10.343 3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.386 -8.329 5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.732 -9.449 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.266 -11.777 5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.536 -11.393 6.526 1.00 0.00 H new ATOM 1191 N MET A 108 -4.122 -7.258 0.507 1.00 0.00 N ATOM 1192 CA MET A 108 -5.171 -6.281 0.240 1.00 0.00 C ATOM 1193 C MET A 108 -4.745 -4.888 0.692 1.00 0.00 C ATOM 1194 O MET A 108 -4.835 -4.553 1.874 1.00 0.00 O ATOM 1195 CB MET A 108 -6.466 -6.686 0.949 1.00 0.00 C ATOM 1196 CG MET A 108 -7.371 -7.568 0.104 1.00 0.00 C ATOM 1197 SD MET A 108 -8.541 -6.617 -0.884 1.00 0.00 S ATOM 1198 CE MET A 108 -7.428 -5.540 -1.785 1.00 0.00 C ATOM 0 H MET A 108 -4.379 -7.980 1.180 1.00 0.00 H new ATOM 0 HA MET A 108 -5.345 -6.257 -0.836 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.217 -7.212 1.870 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.012 -5.786 1.233 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.759 -8.183 -0.556 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.920 -8.248 0.755 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.993 -4.964 -2.518 1.00 0.00 H new ATOM 0 HE2 MET A 108 -6.937 -4.860 -1.089 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.676 -6.140 -2.297 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.280 -4.081 -0.255 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.839 -2.723 0.046 1.00 0.00 C ATOM 1210 C LEU A 109 -5.031 -1.811 0.316 1.00 0.00 C ATOM 1211 O LEU A 109 -5.924 -1.674 -0.521 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.008 -2.167 -1.112 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.767 -2.974 -1.496 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.080 -2.354 -2.703 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.805 -3.065 -0.321 1.00 0.00 C ATOM 0 H LEU A 109 -4.198 -4.343 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.222 -2.758 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.651 -2.088 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.694 -1.156 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.081 -3.983 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.199 -2.941 -2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.769 -2.342 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.779 -1.334 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.072 -3.643 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.497 -2.062 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.300 -3.555 0.517 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.037 -1.185 1.489 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.118 -0.283 1.868 1.00 0.00 C ATOM 1229 C HIS A 110 -5.639 1.166 1.877 1.00 0.00 C ATOM 1230 O HIS A 110 -4.658 1.502 2.540 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.666 -0.659 3.245 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.471 -1.923 3.244 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -8.453 -2.190 4.174 1.00 0.00 N ATOM 1234 CD2 HIS A 110 -7.435 -2.994 2.418 1.00 0.00 C ATOM 1235 CE1 HIS A 110 -8.985 -3.372 3.922 1.00 0.00 C ATOM 1236 NE2 HIS A 110 -8.386 -3.881 2.860 1.00 0.00 N ATOM 0 H HIS A 110 -4.306 -1.286 2.193 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.914 -0.380 1.130 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.834 -0.768 3.941 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.286 0.157 3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -6.780 -3.127 1.569 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -9.775 -3.843 4.488 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.596 -4.785 2.437 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.337 2.020 1.135 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.983 3.432 1.058 1.00 0.00 C ATOM 1247 C VAL A 111 -7.096 4.309 1.620 1.00 0.00 C ATOM 1248 O VAL A 111 -8.276 4.091 1.339 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.690 3.859 -0.393 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -5.164 5.285 -0.434 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.705 2.899 -1.042 1.00 0.00 C ATOM 0 H VAL A 111 -7.151 1.758 0.579 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.082 3.566 1.657 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.621 3.825 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.963 5.569 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.908 5.960 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.243 5.350 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.510 3.216 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.772 2.898 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.126 1.894 -1.047 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.715 5.303 2.414 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.681 6.216 3.016 1.00 0.00 C ATOM 1263 C LEU A 112 -7.218 7.663 2.884 1.00 0.00 C ATOM 1264 O LEU A 112 -6.043 7.984 3.064 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.891 5.868 4.491 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.994 6.642 5.212 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -10.359 6.055 4.886 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -8.754 6.636 6.715 1.00 0.00 C ATOM 0 H LEU A 112 -5.744 5.498 2.656 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.627 6.107 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.114 4.804 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.953 6.034 5.020 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.973 7.675 4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.132 6.619 5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.532 6.112 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.392 5.013 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.549 7.192 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.747 5.608 7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.794 7.104 6.932 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.163 8.560 2.564 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.877 9.989 2.404 1.00 0.00 C ATOM 1282 C PRO A 113 -7.545 10.665 3.730 1.00 0.00 C ATOM 1283 O PRO A 113 -8.310 10.580 4.690 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.180 10.549 1.830 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.235 9.603 2.289 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.584 8.248 2.335 1.00 0.00 C ATOM 0 HA PRO A 113 -7.007 10.163 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.370 11.559 2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.142 10.602 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.614 9.887 3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.085 9.605 1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.994 7.632 3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.730 7.700 1.404 1.00 0.00 H new ATOM 1294 N SER A 114 -6.399 11.338 3.775 1.00 0.00 N ATOM 1295 CA SER A 114 -5.964 12.027 4.984 1.00 0.00 C ATOM 1296 C SER A 114 -5.651 13.491 4.692 1.00 0.00 C ATOM 1297 O SER A 114 -4.724 13.803 3.943 1.00 0.00 O ATOM 1298 CB SER A 114 -4.732 11.337 5.574 1.00 0.00 C ATOM 1299 OG SER A 114 -4.479 11.788 6.893 1.00 0.00 O ATOM 0 H SER A 114 -5.755 11.420 2.988 1.00 0.00 H new ATOM 0 HA SER A 114 -6.777 11.985 5.709 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.883 10.257 5.578 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.864 11.536 4.945 1.00 0.00 H new ATOM 0 HG SER A 114 -3.688 11.331 7.249 1.00 0.00 H new