USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 CYS SG : rot 180:sc= -0.0171 USER MOD Set 1.2: A 63 MET CE :methyl -165:sc= -0.227 (180deg=-0.629) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 1.34 K(o=1.3,f=-0.0098) USER MOD Single : A 20 THR OG1 : rot -97:sc= 1.24 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0.282 (180deg=0.228) USER MOD Single : A 49 SER OG : rot 27:sc= 0.0763 USER MOD Single : A 56 SER OG : rot -172:sc= 1.23 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc=-0.00935 X(o=-0.0093,f=-0.0093) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 64 GLN : amide:sc= -0.0652 X(o=-0.065,f=-0.16) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 37:sc= 0.0314 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 7.505 0.729 -10.782 1.00 0.00 N ATOM 101 CA TYR A 9 7.830 -0.136 -9.649 1.00 0.00 C ATOM 102 C TYR A 9 6.821 0.084 -8.510 1.00 0.00 C ATOM 103 O TYR A 9 7.078 0.791 -7.532 1.00 0.00 O ATOM 104 CB TYR A 9 9.295 0.105 -9.251 1.00 0.00 C ATOM 105 CG TYR A 9 10.285 -0.086 -10.391 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.554 -1.380 -10.874 1.00 0.00 C ATOM 107 CD2 TYR A 9 10.925 1.023 -10.979 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.493 -1.569 -11.907 1.00 0.00 C ATOM 109 CE2 TYR A 9 11.859 0.838 -12.021 1.00 0.00 C ATOM 110 CZ TYR A 9 12.152 -0.464 -12.483 1.00 0.00 C ATOM 111 OH TYR A 9 13.053 -0.667 -13.484 1.00 0.00 O ATOM 0 HA TYR A 9 7.742 -1.189 -9.915 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.394 1.119 -8.864 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.557 -0.573 -8.439 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.039 -2.230 -10.452 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.700 2.020 -10.631 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.709 -2.567 -12.260 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.349 1.692 -12.465 1.00 0.00 H new ATOM 0 HH TYR A 9 13.419 0.194 -13.775 1.00 0.00 H new ATOM 121 N ARG A 10 5.643 -0.533 -8.669 1.00 0.00 N ATOM 122 CA ARG A 10 4.431 -0.314 -7.861 1.00 0.00 C ATOM 123 C ARG A 10 3.812 -1.639 -7.402 1.00 0.00 C ATOM 124 O ARG A 10 3.800 -2.612 -8.158 1.00 0.00 O ATOM 125 CB ARG A 10 3.453 0.520 -8.715 1.00 0.00 C ATOM 126 CG ARG A 10 2.149 0.902 -7.996 1.00 0.00 C ATOM 127 CD ARG A 10 1.201 1.696 -8.905 1.00 0.00 C ATOM 128 NE ARG A 10 1.717 3.039 -9.243 1.00 0.00 N ATOM 129 CZ ARG A 10 1.484 3.724 -10.350 1.00 0.00 C ATOM 130 NH1 ARG A 10 0.832 3.245 -11.371 1.00 0.00 N ATOM 131 NH2 ARG A 10 1.943 4.932 -10.453 1.00 0.00 N ATOM 0 H ARG A 10 5.500 -1.232 -9.398 1.00 0.00 H new ATOM 0 HA ARG A 10 4.676 0.225 -6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.957 1.432 -9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.206 -0.042 -9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.647 -0.002 -7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.383 1.494 -7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.033 1.135 -9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.234 1.797 -8.412 1.00 0.00 H new ATOM 0 HE ARG A 10 2.317 3.485 -8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.470 2.292 -11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.684 3.823 -12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.476 5.342 -9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.771 5.472 -11.301 1.00 0.00 H new ATOM 145 N CYS A 11 3.242 -1.657 -6.195 1.00 0.00 N ATOM 146 CA CYS A 11 2.448 -2.777 -5.676 1.00 0.00 C ATOM 147 C CYS A 11 1.115 -2.311 -5.066 1.00 0.00 C ATOM 148 O CYS A 11 0.958 -1.154 -4.664 1.00 0.00 O ATOM 149 CB CYS A 11 3.296 -3.652 -4.734 1.00 0.00 C ATOM 150 SG CYS A 11 3.393 -2.983 -3.049 1.00 0.00 S ATOM 0 H CYS A 11 3.320 -0.881 -5.538 1.00 0.00 H new ATOM 0 HA CYS A 11 2.160 -3.414 -6.513 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.872 -4.655 -4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.303 -3.746 -5.141 1.00 0.00 H new ATOM 0 HG CYS A 11 4.119 -3.770 -2.311 1.00 0.00 H new ATOM 156 N PHE A 12 0.148 -3.225 -5.023 1.00 0.00 N ATOM 157 CA PHE A 12 -1.145 -3.089 -4.355 1.00 0.00 C ATOM 158 C PHE A 12 -1.037 -3.569 -2.894 1.00 0.00 C ATOM 159 O PHE A 12 -0.303 -4.515 -2.587 1.00 0.00 O ATOM 160 CB PHE A 12 -2.168 -3.879 -5.187 1.00 0.00 C ATOM 161 CG PHE A 12 -3.643 -3.669 -4.894 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.208 -2.379 -4.950 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.483 -4.783 -4.700 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.596 -2.205 -4.804 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.873 -4.610 -4.558 1.00 0.00 C ATOM 166 CZ PHE A 12 -6.430 -3.320 -4.611 1.00 0.00 C ATOM 0 H PHE A 12 0.251 -4.132 -5.479 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.472 -2.051 -4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.999 -3.640 -6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.951 -4.940 -5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.572 -1.520 -5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.058 -5.775 -4.660 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.022 -1.213 -4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.511 -5.468 -4.408 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.496 -3.186 -4.504 1.00 0.00 H new ATOM 176 N VAL A 13 -1.728 -2.879 -1.985 1.00 0.00 N ATOM 177 CA VAL A 13 -1.568 -2.965 -0.522 1.00 0.00 C ATOM 178 C VAL A 13 -2.944 -2.883 0.143 1.00 0.00 C ATOM 179 O VAL A 13 -3.741 -2.041 -0.264 1.00 0.00 O ATOM 180 CB VAL A 13 -0.708 -1.777 -0.022 1.00 0.00 C ATOM 181 CG1 VAL A 13 -0.442 -1.835 1.486 1.00 0.00 C ATOM 182 CG2 VAL A 13 0.667 -1.683 -0.696 1.00 0.00 C ATOM 0 H VAL A 13 -2.450 -2.212 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.082 -3.908 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.311 -0.907 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.165 -0.979 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.390 -1.811 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.089 -2.756 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.211 -0.828 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.231 -2.595 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.537 -1.559 -1.771 1.00 0.00 H new ATOM 192 N GLY A 14 -3.231 -3.661 1.195 1.00 0.00 N ATOM 193 CA GLY A 14 -4.482 -3.469 1.946 1.00 0.00 C ATOM 194 C GLY A 14 -4.536 -4.009 3.378 1.00 0.00 C ATOM 195 O GLY A 14 -4.375 -5.205 3.627 1.00 0.00 O ATOM 0 H GLY A 14 -2.632 -4.411 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.693 -2.400 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.289 -3.934 1.380 1.00 0.00 H new ATOM 199 N SER A 15 -4.835 -3.093 4.304 1.00 0.00 N ATOM 200 CA SER A 15 -5.228 -3.288 5.717 1.00 0.00 C ATOM 201 C SER A 15 -6.155 -2.174 6.229 1.00 0.00 C ATOM 202 O SER A 15 -6.540 -2.172 7.399 1.00 0.00 O ATOM 203 CB SER A 15 -4.002 -3.281 6.644 1.00 0.00 C ATOM 204 OG SER A 15 -3.218 -2.117 6.462 1.00 0.00 O ATOM 0 H SER A 15 -4.808 -2.101 4.069 1.00 0.00 H new ATOM 0 HA SER A 15 -5.742 -4.249 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.330 -3.341 7.682 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.393 -4.164 6.450 1.00 0.00 H new ATOM 0 HG SER A 15 -2.448 -2.143 7.067 1.00 0.00 H new ATOM 210 N LEU A 16 -6.457 -1.178 5.391 1.00 0.00 N ATOM 211 CA LEU A 16 -6.850 0.154 5.837 1.00 0.00 C ATOM 212 C LEU A 16 -8.285 0.181 6.368 1.00 0.00 C ATOM 213 O LEU A 16 -9.113 -0.692 6.095 1.00 0.00 O ATOM 214 CB LEU A 16 -6.622 1.209 4.732 1.00 0.00 C ATOM 215 CG LEU A 16 -5.284 1.153 3.981 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.214 2.396 3.111 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.049 1.130 4.869 1.00 0.00 C ATOM 0 H LEU A 16 -6.434 -1.278 4.376 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.204 0.418 6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.425 1.113 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.717 2.197 5.182 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.269 0.217 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.276 2.399 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.050 2.398 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.266 3.284 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.155 1.090 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.025 2.031 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.081 0.252 5.515 1.00 0.00 H new ATOM 229 N SER A 17 -8.559 1.239 7.112 1.00 0.00 N ATOM 230 CA SER A 17 -9.785 1.476 7.871 1.00 0.00 C ATOM 231 C SER A 17 -10.191 2.942 7.708 1.00 0.00 C ATOM 232 O SER A 17 -9.397 3.746 7.221 1.00 0.00 O ATOM 233 CB SER A 17 -9.508 1.126 9.339 1.00 0.00 C ATOM 234 OG SER A 17 -10.681 1.205 10.120 1.00 0.00 O ATOM 0 H SER A 17 -7.893 2.005 7.211 1.00 0.00 H new ATOM 0 HA SER A 17 -10.607 0.857 7.511 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.095 0.119 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.756 1.805 9.740 1.00 0.00 H new ATOM 0 HG SER A 17 -10.471 0.975 11.049 1.00 0.00 H new ATOM 240 N TRP A 18 -11.400 3.314 8.126 1.00 0.00 N ATOM 241 CA TRP A 18 -11.940 4.681 8.060 1.00 0.00 C ATOM 242 C TRP A 18 -10.965 5.794 8.497 1.00 0.00 C ATOM 243 O TRP A 18 -11.002 6.885 7.927 1.00 0.00 O ATOM 244 CB TRP A 18 -13.207 4.733 8.924 1.00 0.00 C ATOM 245 CG TRP A 18 -13.003 4.577 10.404 1.00 0.00 C ATOM 246 CD1 TRP A 18 -12.935 3.407 11.082 1.00 0.00 C ATOM 247 CD2 TRP A 18 -12.828 5.621 11.410 1.00 0.00 C ATOM 248 NE1 TRP A 18 -12.738 3.650 12.428 1.00 0.00 N ATOM 249 CE2 TRP A 18 -12.676 5.001 12.689 1.00 0.00 C ATOM 250 CE3 TRP A 18 -12.768 7.031 11.369 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -12.498 5.742 13.865 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -12.587 7.782 12.545 1.00 0.00 C ATOM 253 CH2 TRP A 18 -12.455 7.145 13.792 1.00 0.00 C ATOM 0 H TRP A 18 -12.058 2.651 8.536 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.144 4.886 7.009 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.706 5.685 8.745 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.885 3.949 8.586 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -13.022 2.427 10.636 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.650 2.922 13.137 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.862 7.540 10.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -12.395 5.241 14.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.549 8.860 12.489 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.321 7.731 14.689 1.00 0.00 H new ATOM 264 N ASN A 19 -10.086 5.523 9.471 1.00 0.00 N ATOM 265 CA ASN A 19 -9.106 6.474 10.009 1.00 0.00 C ATOM 266 C ASN A 19 -7.684 6.341 9.407 1.00 0.00 C ATOM 267 O ASN A 19 -6.849 7.234 9.592 1.00 0.00 O ATOM 268 CB ASN A 19 -9.086 6.303 11.539 1.00 0.00 C ATOM 269 CG ASN A 19 -8.601 7.559 12.232 1.00 0.00 C ATOM 270 OD1 ASN A 19 -7.413 7.793 12.403 1.00 0.00 O ATOM 271 ND2 ASN A 19 -9.499 8.435 12.599 1.00 0.00 N ATOM 0 H ASN A 19 -10.036 4.608 9.919 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.419 7.479 9.725 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.087 6.055 11.891 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.439 5.467 11.804 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.209 9.314 13.028 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.490 8.240 12.456 1.00 0.00 H new ATOM 278 N THR A 20 -7.379 5.237 8.717 1.00 0.00 N ATOM 279 CA THR A 20 -6.091 5.020 8.034 1.00 0.00 C ATOM 280 C THR A 20 -6.156 5.581 6.621 1.00 0.00 C ATOM 281 O THR A 20 -7.156 5.414 5.920 1.00 0.00 O ATOM 282 CB THR A 20 -5.680 3.536 7.914 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.307 2.699 8.862 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.167 3.361 8.047 1.00 0.00 C ATOM 0 H THR A 20 -8.026 4.456 8.613 1.00 0.00 H new ATOM 0 HA THR A 20 -5.350 5.527 8.652 1.00 0.00 H new ATOM 0 HB THR A 20 -6.012 3.235 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.708 2.563 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.914 2.305 7.958 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.665 3.922 7.259 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.842 3.731 9.019 1.00 0.00 H new ATOM 292 N ASP A 21 -5.065 6.184 6.158 1.00 0.00 N ATOM 293 CA ASP A 21 -4.933 6.608 4.770 1.00 0.00 C ATOM 294 C ASP A 21 -3.499 6.355 4.243 1.00 0.00 C ATOM 295 O ASP A 21 -2.719 5.618 4.857 1.00 0.00 O ATOM 296 CB ASP A 21 -5.374 8.090 4.641 1.00 0.00 C ATOM 297 CG ASP A 21 -6.811 8.412 5.100 1.00 0.00 C ATOM 298 OD1 ASP A 21 -7.748 8.351 4.268 1.00 0.00 O ATOM 299 OD2 ASP A 21 -7.022 8.827 6.265 1.00 0.00 O ATOM 0 H ASP A 21 -4.249 6.392 6.734 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.591 6.010 4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.683 8.705 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.272 8.389 3.598 1.00 0.00 H new ATOM 304 N ASP A 22 -3.133 6.956 3.104 1.00 0.00 N ATOM 305 CA ASP A 22 -1.776 6.894 2.523 1.00 0.00 C ATOM 306 C ASP A 22 -0.659 7.167 3.546 1.00 0.00 C ATOM 307 O ASP A 22 0.352 6.468 3.519 1.00 0.00 O ATOM 308 CB ASP A 22 -1.638 7.888 1.353 1.00 0.00 C ATOM 309 CG ASP A 22 -2.336 9.213 1.642 1.00 0.00 C ATOM 310 OD1 ASP A 22 -1.831 9.987 2.487 1.00 0.00 O ATOM 311 OD2 ASP A 22 -3.437 9.426 1.086 1.00 0.00 O ATOM 0 H ASP A 22 -3.781 7.511 2.545 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.654 5.870 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.582 8.071 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.059 7.446 0.450 1.00 0.00 H new ATOM 316 N ARG A 23 -0.844 8.113 4.482 1.00 0.00 N ATOM 317 CA ARG A 23 0.114 8.427 5.560 1.00 0.00 C ATOM 318 C ARG A 23 0.583 7.184 6.333 1.00 0.00 C ATOM 319 O ARG A 23 1.771 7.100 6.653 1.00 0.00 O ATOM 320 CB ARG A 23 -0.503 9.448 6.538 1.00 0.00 C ATOM 321 CG ARG A 23 -0.321 10.921 6.136 1.00 0.00 C ATOM 322 CD ARG A 23 -0.885 11.810 7.258 1.00 0.00 C ATOM 323 NE ARG A 23 -0.639 13.250 7.052 1.00 0.00 N ATOM 324 CZ ARG A 23 -1.026 14.215 7.872 1.00 0.00 C ATOM 325 NH1 ARG A 23 -1.701 13.967 8.959 1.00 0.00 N ATOM 326 NH2 ARG A 23 -0.744 15.461 7.624 1.00 0.00 N ATOM 0 H ARG A 23 -1.681 8.694 4.512 1.00 0.00 H new ATOM 0 HA ARG A 23 0.995 8.853 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.569 9.241 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.061 9.298 7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.734 11.141 5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.837 11.123 5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.959 11.641 7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.443 11.507 8.207 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.131 13.524 6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.946 13.006 9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.984 14.733 9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.217 15.708 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.050 16.191 8.267 1.00 0.00 H new ATOM 340 N GLY A 24 -0.300 6.219 6.599 1.00 0.00 N ATOM 341 CA GLY A 24 0.030 5.001 7.342 1.00 0.00 C ATOM 342 C GLY A 24 0.899 4.019 6.549 1.00 0.00 C ATOM 343 O GLY A 24 1.913 3.544 7.071 1.00 0.00 O ATOM 0 H GLY A 24 -1.275 6.262 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.550 5.274 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.894 4.502 7.635 1.00 0.00 H new ATOM 347 N LEU A 25 0.555 3.756 5.277 1.00 0.00 N ATOM 348 CA LEU A 25 1.389 2.910 4.398 1.00 0.00 C ATOM 349 C LEU A 25 2.697 3.599 3.962 1.00 0.00 C ATOM 350 O LEU A 25 3.722 2.934 3.819 1.00 0.00 O ATOM 351 CB LEU A 25 0.572 2.281 3.243 1.00 0.00 C ATOM 352 CG LEU A 25 -0.205 3.197 2.274 1.00 0.00 C ATOM 353 CD1 LEU A 25 0.685 3.900 1.247 1.00 0.00 C ATOM 354 CD2 LEU A 25 -1.203 2.351 1.476 1.00 0.00 C ATOM 0 H LEU A 25 -0.291 4.114 4.833 1.00 0.00 H new ATOM 0 HA LEU A 25 1.725 2.064 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.259 1.682 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.146 1.593 3.688 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.683 3.954 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.070 4.526 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.417 4.521 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.203 3.155 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.756 2.992 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.665 1.591 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.899 1.867 2.161 1.00 0.00 H new ATOM 366 N GLU A 26 2.700 4.930 3.862 1.00 0.00 N ATOM 367 CA GLU A 26 3.888 5.764 3.651 1.00 0.00 C ATOM 368 C GLU A 26 4.881 5.599 4.807 1.00 0.00 C ATOM 369 O GLU A 26 6.042 5.269 4.571 1.00 0.00 O ATOM 370 CB GLU A 26 3.425 7.225 3.498 1.00 0.00 C ATOM 371 CG GLU A 26 4.540 8.280 3.538 1.00 0.00 C ATOM 372 CD GLU A 26 3.964 9.701 3.499 1.00 0.00 C ATOM 373 OE1 GLU A 26 3.036 10.024 4.282 1.00 0.00 O ATOM 374 OE2 GLU A 26 4.477 10.542 2.723 1.00 0.00 O ATOM 0 H GLU A 26 1.843 5.479 3.928 1.00 0.00 H new ATOM 0 HA GLU A 26 4.412 5.456 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.891 7.321 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.711 7.446 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.134 8.151 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.212 8.134 2.692 1.00 0.00 H new ATOM 381 N ALA A 27 4.431 5.761 6.057 1.00 0.00 N ATOM 382 CA ALA A 27 5.292 5.627 7.234 1.00 0.00 C ATOM 383 C ALA A 27 5.874 4.207 7.361 1.00 0.00 C ATOM 384 O ALA A 27 7.060 4.037 7.659 1.00 0.00 O ATOM 385 CB ALA A 27 4.476 6.036 8.466 1.00 0.00 C ATOM 0 H ALA A 27 3.462 5.988 6.279 1.00 0.00 H new ATOM 0 HA ALA A 27 6.157 6.284 7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.095 5.945 9.359 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.145 7.069 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.607 5.385 8.559 1.00 0.00 H new ATOM 391 N ALA A 28 5.080 3.181 7.042 1.00 0.00 N ATOM 392 CA ALA A 28 5.520 1.789 7.084 1.00 0.00 C ATOM 393 C ALA A 28 6.552 1.444 5.995 1.00 0.00 C ATOM 394 O ALA A 28 7.498 0.700 6.265 1.00 0.00 O ATOM 395 CB ALA A 28 4.283 0.904 6.982 1.00 0.00 C ATOM 0 H ALA A 28 4.111 3.296 6.747 1.00 0.00 H new ATOM 0 HA ALA A 28 6.039 1.615 8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.582 -0.144 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.615 1.114 7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.766 1.108 6.044 1.00 0.00 H new ATOM 401 N PHE A 29 6.407 2.001 4.787 1.00 0.00 N ATOM 402 CA PHE A 29 7.357 1.809 3.686 1.00 0.00 C ATOM 403 C PHE A 29 8.583 2.731 3.776 1.00 0.00 C ATOM 404 O PHE A 29 9.621 2.420 3.198 1.00 0.00 O ATOM 405 CB PHE A 29 6.612 1.969 2.350 1.00 0.00 C ATOM 406 CG PHE A 29 7.397 1.517 1.127 1.00 0.00 C ATOM 407 CD1 PHE A 29 8.360 2.360 0.537 1.00 0.00 C ATOM 408 CD2 PHE A 29 7.175 0.238 0.581 1.00 0.00 C ATOM 409 CE1 PHE A 29 9.118 1.919 -0.561 1.00 0.00 C ATOM 410 CE2 PHE A 29 7.922 -0.198 -0.528 1.00 0.00 C ATOM 411 CZ PHE A 29 8.907 0.634 -1.086 1.00 0.00 C ATOM 0 H PHE A 29 5.620 2.603 4.545 1.00 0.00 H new ATOM 0 HA PHE A 29 7.761 0.799 3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.682 1.403 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.341 3.017 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.517 3.353 0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.428 -0.410 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.862 2.567 -1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.738 -1.174 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.501 0.286 -1.918 1.00 0.00 H new ATOM 421 N SER A 30 8.526 3.833 4.529 1.00 0.00 N ATOM 422 CA SER A 30 9.576 4.865 4.542 1.00 0.00 C ATOM 423 C SER A 30 10.987 4.361 4.924 1.00 0.00 C ATOM 424 O SER A 30 11.994 4.976 4.556 1.00 0.00 O ATOM 425 CB SER A 30 9.126 5.985 5.489 1.00 0.00 C ATOM 426 OG SER A 30 10.038 7.067 5.504 1.00 0.00 O ATOM 0 H SER A 30 7.746 4.039 5.153 1.00 0.00 H new ATOM 0 HA SER A 30 9.688 5.220 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.143 6.344 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.021 5.586 6.498 1.00 0.00 H new ATOM 0 HG SER A 30 9.714 7.759 6.118 1.00 0.00 H new ATOM 432 N SER A 31 11.090 3.222 5.619 1.00 0.00 N ATOM 433 CA SER A 31 12.363 2.544 5.947 1.00 0.00 C ATOM 434 C SER A 31 12.932 1.683 4.804 1.00 0.00 C ATOM 435 O SER A 31 14.134 1.392 4.791 1.00 0.00 O ATOM 436 CB SER A 31 12.197 1.697 7.216 1.00 0.00 C ATOM 437 OG SER A 31 10.978 0.974 7.209 1.00 0.00 O ATOM 0 H SER A 31 10.274 2.729 5.981 1.00 0.00 H new ATOM 0 HA SER A 31 13.092 3.337 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.032 1.001 7.301 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.231 2.344 8.092 1.00 0.00 H new ATOM 0 HG SER A 31 10.907 0.445 8.031 1.00 0.00 H new ATOM 443 N PHE A 32 12.095 1.318 3.828 1.00 0.00 N ATOM 444 CA PHE A 32 12.453 0.618 2.591 1.00 0.00 C ATOM 445 C PHE A 32 12.737 1.581 1.425 1.00 0.00 C ATOM 446 O PHE A 32 13.517 1.227 0.545 1.00 0.00 O ATOM 447 CB PHE A 32 11.333 -0.362 2.197 1.00 0.00 C ATOM 448 CG PHE A 32 11.084 -1.499 3.173 1.00 0.00 C ATOM 449 CD1 PHE A 32 10.214 -1.323 4.267 1.00 0.00 C ATOM 450 CD2 PHE A 32 11.702 -2.750 2.972 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.961 -2.387 5.151 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.452 -3.813 3.859 1.00 0.00 C ATOM 453 CZ PHE A 32 10.579 -3.633 4.947 1.00 0.00 C ATOM 0 H PHE A 32 11.095 1.514 3.883 1.00 0.00 H new ATOM 0 HA PHE A 32 13.375 0.071 2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.407 0.201 2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.574 -0.789 1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.739 -0.366 4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.369 -2.893 2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.292 -2.247 5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.931 -4.768 3.704 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.384 -4.451 5.625 1.00 0.00 H new ATOM 463 N GLY A 33 12.157 2.787 1.394 1.00 0.00 N ATOM 464 CA GLY A 33 12.433 3.750 0.320 1.00 0.00 C ATOM 465 C GLY A 33 11.742 5.111 0.444 1.00 0.00 C ATOM 466 O GLY A 33 11.060 5.417 1.424 1.00 0.00 O ATOM 0 H GLY A 33 11.496 3.119 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.510 3.914 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.139 3.300 -0.628 1.00 0.00 H new ATOM 470 N GLU A 34 11.937 5.943 -0.580 1.00 0.00 N ATOM 471 CA GLU A 34 11.392 7.303 -0.701 1.00 0.00 C ATOM 472 C GLU A 34 10.296 7.359 -1.777 1.00 0.00 C ATOM 473 O GLU A 34 10.546 7.075 -2.952 1.00 0.00 O ATOM 474 CB GLU A 34 12.527 8.298 -0.991 1.00 0.00 C ATOM 475 CG GLU A 34 13.608 8.366 0.102 1.00 0.00 C ATOM 476 CD GLU A 34 13.202 9.171 1.340 1.00 0.00 C ATOM 477 OE1 GLU A 34 11.997 9.243 1.689 1.00 0.00 O ATOM 478 OE2 GLU A 34 14.105 9.749 1.994 1.00 0.00 O ATOM 0 H GLU A 34 12.504 5.679 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 34 10.928 7.586 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.999 8.027 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.098 9.291 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.861 7.352 0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.511 8.805 -0.323 1.00 0.00 H new ATOM 485 N ILE A 35 9.077 7.690 -1.350 1.00 0.00 N ATOM 486 CA ILE A 35 7.817 7.402 -2.050 1.00 0.00 C ATOM 487 C ILE A 35 7.657 8.169 -3.361 1.00 0.00 C ATOM 488 O ILE A 35 7.812 9.394 -3.385 1.00 0.00 O ATOM 489 CB ILE A 35 6.634 7.700 -1.094 1.00 0.00 C ATOM 490 CG1 ILE A 35 6.632 6.771 0.140 1.00 0.00 C ATOM 491 CG2 ILE A 35 5.264 7.619 -1.789 1.00 0.00 C ATOM 492 CD1 ILE A 35 6.658 5.277 -0.199 1.00 0.00 C ATOM 0 H ILE A 35 8.931 8.187 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 35 7.830 6.348 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 35 6.790 8.728 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.497 7.007 0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.745 6.981 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.477 7.837 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.224 8.345 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.119 6.617 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.655 4.695 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.779 5.023 -0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.558 5.049 -0.769 1.00 0.00 H new ATOM 504 N LEU A 36 7.227 7.464 -4.415 1.00 0.00 N ATOM 505 CA LEU A 36 6.747 8.082 -5.656 1.00 0.00 C ATOM 506 C LEU A 36 5.211 8.129 -5.765 1.00 0.00 C ATOM 507 O LEU A 36 4.704 9.056 -6.397 1.00 0.00 O ATOM 508 CB LEU A 36 7.386 7.405 -6.882 1.00 0.00 C ATOM 509 CG LEU A 36 8.925 7.469 -6.960 1.00 0.00 C ATOM 510 CD1 LEU A 36 9.368 6.946 -8.326 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.494 8.881 -6.798 1.00 0.00 C ATOM 0 H LEU A 36 7.202 6.444 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 36 7.067 9.124 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.084 6.358 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.976 7.865 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 36 9.302 6.866 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.455 6.985 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.034 5.916 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.932 7.564 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.581 8.845 -6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.103 9.523 -7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.203 9.281 -5.827 1.00 0.00 H new ATOM 523 N ASP A 37 4.469 7.211 -5.133 1.00 0.00 N ATOM 524 CA ASP A 37 2.994 7.194 -5.089 1.00 0.00 C ATOM 525 C ASP A 37 2.490 6.593 -3.768 1.00 0.00 C ATOM 526 O ASP A 37 3.064 5.619 -3.275 1.00 0.00 O ATOM 527 CB ASP A 37 2.371 6.340 -6.217 1.00 0.00 C ATOM 528 CG ASP A 37 2.773 6.696 -7.649 1.00 0.00 C ATOM 529 OD1 ASP A 37 2.311 7.740 -8.171 1.00 0.00 O ATOM 530 OD2 ASP A 37 3.429 5.849 -8.308 1.00 0.00 O ATOM 0 H ASP A 37 4.887 6.434 -4.621 1.00 0.00 H new ATOM 0 HA ASP A 37 2.694 8.236 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.634 5.297 -6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.286 6.413 -6.140 1.00 0.00 H new ATOM 535 N ALA A 38 1.371 7.108 -3.246 1.00 0.00 N ATOM 536 CA ALA A 38 0.613 6.520 -2.149 1.00 0.00 C ATOM 537 C ALA A 38 -0.887 6.836 -2.338 1.00 0.00 C ATOM 538 O ALA A 38 -1.309 7.986 -2.173 1.00 0.00 O ATOM 539 CB ALA A 38 1.178 7.055 -0.827 1.00 0.00 C ATOM 0 H ALA A 38 0.959 7.975 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 38 0.707 5.434 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.622 6.625 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.229 6.780 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.084 8.141 -0.804 1.00 0.00 H new ATOM 545 N LYS A 39 -1.693 5.825 -2.694 1.00 0.00 N ATOM 546 CA LYS A 39 -3.159 5.923 -2.900 1.00 0.00 C ATOM 547 C LYS A 39 -3.896 5.345 -1.693 1.00 0.00 C ATOM 548 O LYS A 39 -3.480 4.328 -1.151 1.00 0.00 O ATOM 549 CB LYS A 39 -3.563 5.215 -4.220 1.00 0.00 C ATOM 550 CG LYS A 39 -5.072 5.067 -4.558 1.00 0.00 C ATOM 551 CD LYS A 39 -5.801 6.416 -4.695 1.00 0.00 C ATOM 552 CE LYS A 39 -7.273 6.222 -5.098 1.00 0.00 C ATOM 553 NZ LYS A 39 -8.092 7.413 -4.764 1.00 0.00 N ATOM 0 H LYS A 39 -1.338 4.882 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.444 6.971 -2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.092 5.755 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.129 4.215 -4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.176 4.510 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.556 4.478 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.749 6.956 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.296 7.030 -5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.335 6.026 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.678 5.347 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.021 7.336 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.220 7.468 -3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.609 8.271 -5.099 1.00 0.00 H new ATOM 567 N ILE A 40 -5.020 5.957 -1.335 1.00 0.00 N ATOM 568 CA ILE A 40 -6.082 5.377 -0.503 1.00 0.00 C ATOM 569 C ILE A 40 -7.350 5.328 -1.367 1.00 0.00 C ATOM 570 O ILE A 40 -7.586 6.265 -2.125 1.00 0.00 O ATOM 571 CB ILE A 40 -6.240 6.224 0.785 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.883 5.493 1.981 1.00 0.00 C ATOM 573 CG2 ILE A 40 -6.938 7.576 0.558 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.162 4.684 1.763 1.00 0.00 C ATOM 0 H ILE A 40 -5.230 6.912 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.854 4.364 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.203 6.415 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.134 4.817 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.094 6.240 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.012 8.111 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.360 8.170 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.938 7.407 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.476 4.238 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.949 5.341 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.974 3.896 1.034 1.00 0.00 H new ATOM 586 N ILE A 41 -8.160 4.271 -1.291 1.00 0.00 N ATOM 587 CA ILE A 41 -9.512 4.250 -1.871 1.00 0.00 C ATOM 588 C ILE A 41 -10.593 4.014 -0.798 1.00 0.00 C ATOM 589 O ILE A 41 -10.600 3.017 -0.069 1.00 0.00 O ATOM 590 CB ILE A 41 -9.566 3.303 -3.086 1.00 0.00 C ATOM 591 CG1 ILE A 41 -10.913 3.336 -3.838 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.161 1.864 -2.727 1.00 0.00 C ATOM 593 CD1 ILE A 41 -11.229 4.689 -4.482 1.00 0.00 C ATOM 0 H ILE A 41 -7.900 3.401 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.751 5.237 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.821 3.693 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.905 2.569 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.713 3.079 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.216 1.238 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.141 1.858 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.838 1.474 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.191 4.634 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.271 5.458 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.451 4.940 -5.203 1.00 0.00 H new ATOM 715 N SER A 49 -15.193 2.151 3.268 1.00 0.00 N ATOM 716 CA SER A 49 -13.761 1.867 3.377 1.00 0.00 C ATOM 717 C SER A 49 -13.381 0.662 2.507 1.00 0.00 C ATOM 718 O SER A 49 -13.451 -0.481 2.965 1.00 0.00 O ATOM 719 CB SER A 49 -13.360 1.606 4.839 1.00 0.00 C ATOM 720 OG SER A 49 -13.760 2.641 5.716 1.00 0.00 O ATOM 0 HA SER A 49 -13.220 2.744 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.803 0.666 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.278 1.486 4.897 1.00 0.00 H new ATOM 0 HG SER A 49 -14.551 3.090 5.352 1.00 0.00 H new ATOM 726 N ARG A 50 -12.889 0.890 1.275 1.00 0.00 N ATOM 727 CA ARG A 50 -12.368 -0.215 0.438 1.00 0.00 C ATOM 728 C ARG A 50 -11.098 -0.810 1.053 1.00 0.00 C ATOM 729 O ARG A 50 -10.821 -1.990 0.869 1.00 0.00 O ATOM 730 CB ARG A 50 -12.095 0.206 -1.021 1.00 0.00 C ATOM 731 CG ARG A 50 -13.221 0.999 -1.706 1.00 0.00 C ATOM 732 CD ARG A 50 -13.309 0.772 -3.227 1.00 0.00 C ATOM 733 NE ARG A 50 -13.812 -0.574 -3.572 1.00 0.00 N ATOM 734 CZ ARG A 50 -14.633 -0.890 -4.560 1.00 0.00 C ATOM 735 NH1 ARG A 50 -15.103 -0.035 -5.421 1.00 0.00 N ATOM 736 NH2 ARG A 50 -15.027 -2.114 -4.737 1.00 0.00 N ATOM 0 H ARG A 50 -12.840 1.811 0.840 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.153 -0.971 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.186 0.808 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.898 -0.691 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.173 0.725 -1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.071 2.062 -1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.964 1.524 -3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.323 0.912 -3.669 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.491 -1.343 -2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.841 0.949 -5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.733 -0.349 -6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.703 -2.850 -4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.660 -2.340 -5.504 1.00 0.00 H new ATOM 750 N GLY A 51 -10.373 -0.013 1.844 1.00 0.00 N ATOM 751 CA GLY A 51 -9.337 -0.467 2.779 1.00 0.00 C ATOM 752 C GLY A 51 -8.010 -0.871 2.124 1.00 0.00 C ATOM 753 O GLY A 51 -7.210 -1.602 2.707 1.00 0.00 O ATOM 0 H GLY A 51 -10.495 1.000 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.143 0.329 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.722 -1.318 3.341 1.00 0.00 H new ATOM 757 N PHE A 52 -7.781 -0.402 0.901 1.00 0.00 N ATOM 758 CA PHE A 52 -6.658 -0.752 0.037 1.00 0.00 C ATOM 759 C PHE A 52 -6.060 0.512 -0.600 1.00 0.00 C ATOM 760 O PHE A 52 -6.629 1.607 -0.523 1.00 0.00 O ATOM 761 CB PHE A 52 -7.106 -1.777 -1.030 1.00 0.00 C ATOM 762 CG PHE A 52 -7.020 -3.245 -0.636 1.00 0.00 C ATOM 763 CD1 PHE A 52 -7.924 -3.806 0.285 1.00 0.00 C ATOM 764 CD2 PHE A 52 -6.043 -4.073 -1.226 1.00 0.00 C ATOM 765 CE1 PHE A 52 -7.858 -5.173 0.611 1.00 0.00 C ATOM 766 CE2 PHE A 52 -5.974 -5.440 -0.904 1.00 0.00 C ATOM 767 CZ PHE A 52 -6.884 -5.992 0.014 1.00 0.00 C ATOM 0 H PHE A 52 -8.410 0.270 0.462 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.876 -1.218 0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.138 -1.557 -1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.500 -1.627 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.675 -3.182 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.341 -3.653 -1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.556 -5.593 1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.222 -6.066 -1.362 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.835 -7.042 0.260 1.00 0.00 H new ATOM 777 N GLY A 53 -4.893 0.347 -1.214 1.00 0.00 N ATOM 778 CA GLY A 53 -4.127 1.397 -1.862 1.00 0.00 C ATOM 779 C GLY A 53 -3.016 0.863 -2.765 1.00 0.00 C ATOM 780 O GLY A 53 -2.762 -0.339 -2.838 1.00 0.00 O ATOM 0 H GLY A 53 -4.438 -0.564 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.801 2.017 -2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.689 2.041 -1.100 1.00 0.00 H new ATOM 784 N PHE A 54 -2.324 1.785 -3.430 1.00 0.00 N ATOM 785 CA PHE A 54 -1.072 1.532 -4.145 1.00 0.00 C ATOM 786 C PHE A 54 0.088 2.222 -3.426 1.00 0.00 C ATOM 787 O PHE A 54 -0.098 3.316 -2.887 1.00 0.00 O ATOM 788 CB PHE A 54 -1.156 2.033 -5.595 1.00 0.00 C ATOM 789 CG PHE A 54 -2.151 1.303 -6.473 1.00 0.00 C ATOM 790 CD1 PHE A 54 -1.854 0.008 -6.939 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.360 1.919 -6.849 1.00 0.00 C ATOM 792 CE1 PHE A 54 -2.766 -0.668 -7.769 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.272 1.241 -7.675 1.00 0.00 C ATOM 794 CZ PHE A 54 -3.977 -0.054 -8.134 1.00 0.00 C ATOM 0 H PHE A 54 -2.626 2.757 -3.489 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.900 0.456 -4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.415 3.092 -5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.168 1.952 -6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.925 -0.467 -6.659 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.587 2.916 -6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.536 -1.661 -8.127 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.200 1.715 -7.957 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.679 -0.577 -8.766 1.00 0.00 H new ATOM 804 N VAL A 55 1.281 1.628 -3.486 1.00 0.00 N ATOM 805 CA VAL A 55 2.548 2.263 -3.087 1.00 0.00 C ATOM 806 C VAL A 55 3.626 2.007 -4.149 1.00 0.00 C ATOM 807 O VAL A 55 3.575 0.984 -4.840 1.00 0.00 O ATOM 808 CB VAL A 55 2.961 1.818 -1.665 1.00 0.00 C ATOM 809 CG1 VAL A 55 3.572 0.416 -1.614 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.943 2.803 -1.021 1.00 0.00 C ATOM 0 H VAL A 55 1.401 0.672 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 55 2.415 3.344 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 55 2.028 1.801 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.837 0.172 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.848 -0.310 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.466 0.386 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.208 2.453 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.843 2.871 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.478 3.786 -0.949 1.00 0.00 H new ATOM 820 N SER A 56 4.579 2.927 -4.321 1.00 0.00 N ATOM 821 CA SER A 56 5.674 2.782 -5.296 1.00 0.00 C ATOM 822 C SER A 56 6.996 3.430 -4.863 1.00 0.00 C ATOM 823 O SER A 56 7.029 4.409 -4.107 1.00 0.00 O ATOM 824 CB SER A 56 5.254 3.336 -6.663 1.00 0.00 C ATOM 825 OG SER A 56 5.125 4.733 -6.587 1.00 0.00 O ATOM 0 H SER A 56 4.617 3.797 -3.789 1.00 0.00 H new ATOM 0 HA SER A 56 5.863 1.710 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.994 3.070 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.309 2.890 -6.972 1.00 0.00 H new ATOM 0 HG SER A 56 4.738 5.072 -7.421 1.00 0.00 H new ATOM 831 N PHE A 57 8.090 2.888 -5.403 1.00 0.00 N ATOM 832 CA PHE A 57 9.456 3.402 -5.276 1.00 0.00 C ATOM 833 C PHE A 57 10.059 3.683 -6.662 1.00 0.00 C ATOM 834 O PHE A 57 9.449 3.406 -7.694 1.00 0.00 O ATOM 835 CB PHE A 57 10.313 2.392 -4.480 1.00 0.00 C ATOM 836 CG PHE A 57 11.718 2.862 -4.130 1.00 0.00 C ATOM 837 CD1 PHE A 57 11.915 4.129 -3.549 1.00 0.00 C ATOM 838 CD2 PHE A 57 12.839 2.082 -4.472 1.00 0.00 C ATOM 839 CE1 PHE A 57 13.215 4.633 -3.366 1.00 0.00 C ATOM 840 CE2 PHE A 57 14.138 2.574 -4.264 1.00 0.00 C ATOM 841 CZ PHE A 57 14.328 3.855 -3.721 1.00 0.00 C ATOM 0 H PHE A 57 8.046 2.039 -5.967 1.00 0.00 H new ATOM 0 HA PHE A 57 9.439 4.346 -4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.790 2.146 -3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.390 1.471 -5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.063 4.717 -3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.699 1.099 -4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.357 5.620 -2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.992 1.966 -4.522 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.327 4.240 -3.577 1.00 0.00 H new ATOM 851 N SER A 58 11.285 4.204 -6.692 1.00 0.00 N ATOM 852 CA SER A 58 12.077 4.391 -7.908 1.00 0.00 C ATOM 853 C SER A 58 12.615 3.077 -8.509 1.00 0.00 C ATOM 854 O SER A 58 13.021 3.098 -9.671 1.00 0.00 O ATOM 855 CB SER A 58 13.239 5.352 -7.613 1.00 0.00 C ATOM 856 OG SER A 58 12.799 6.522 -6.931 1.00 0.00 O ATOM 0 H SER A 58 11.768 4.516 -5.849 1.00 0.00 H new ATOM 0 HA SER A 58 11.408 4.812 -8.659 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.989 4.841 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.721 5.636 -8.548 1.00 0.00 H new ATOM 0 HG SER A 58 13.565 7.108 -6.759 1.00 0.00 H new ATOM 862 N ASN A 59 12.621 1.955 -7.761 1.00 0.00 N ATOM 863 CA ASN A 59 13.186 0.657 -8.190 1.00 0.00 C ATOM 864 C ASN A 59 12.498 -0.587 -7.566 1.00 0.00 C ATOM 865 O ASN A 59 11.831 -0.525 -6.530 1.00 0.00 O ATOM 866 CB ASN A 59 14.703 0.633 -7.892 1.00 0.00 C ATOM 867 CG ASN A 59 15.529 1.428 -8.886 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.195 2.397 -8.543 1.00 0.00 O ATOM 869 ND2 ASN A 59 15.546 1.037 -10.137 1.00 0.00 N ATOM 0 H ASN A 59 12.225 1.924 -6.822 1.00 0.00 H new ATOM 0 HA ASN A 59 12.997 0.584 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.875 1.029 -6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.048 -0.401 -7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.112 1.539 -10.821 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.993 0.231 -10.427 1.00 0.00 H new ATOM 876 N GLU A 60 12.692 -1.748 -8.199 1.00 0.00 N ATOM 877 CA GLU A 60 12.014 -3.015 -7.872 1.00 0.00 C ATOM 878 C GLU A 60 12.541 -3.701 -6.600 1.00 0.00 C ATOM 879 O GLU A 60 11.780 -4.323 -5.861 1.00 0.00 O ATOM 880 CB GLU A 60 12.184 -3.979 -9.061 1.00 0.00 C ATOM 881 CG GLU A 60 11.196 -5.152 -9.022 1.00 0.00 C ATOM 882 CD GLU A 60 11.356 -6.076 -10.233 1.00 0.00 C ATOM 883 OE1 GLU A 60 12.508 -6.382 -10.630 1.00 0.00 O ATOM 884 OE2 GLU A 60 10.331 -6.572 -10.764 1.00 0.00 O ATOM 0 H GLU A 60 13.344 -1.839 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 60 10.969 -2.772 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.050 -3.428 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.202 -4.368 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.348 -5.724 -8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.177 -4.767 -8.992 1.00 0.00 H new ATOM 891 N GLN A 61 13.846 -3.601 -6.338 1.00 0.00 N ATOM 892 CA GLN A 61 14.536 -4.378 -5.302 1.00 0.00 C ATOM 893 C GLN A 61 13.997 -4.069 -3.895 1.00 0.00 C ATOM 894 O GLN A 61 13.672 -4.992 -3.142 1.00 0.00 O ATOM 895 CB GLN A 61 16.029 -4.065 -5.434 1.00 0.00 C ATOM 896 CG GLN A 61 16.988 -4.982 -4.672 1.00 0.00 C ATOM 897 CD GLN A 61 18.442 -4.556 -4.886 1.00 0.00 C ATOM 898 OE1 GLN A 61 18.761 -3.517 -5.462 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.382 -5.339 -4.420 1.00 0.00 N ATOM 0 H GLN A 61 14.464 -2.969 -6.847 1.00 0.00 H new ATOM 0 HA GLN A 61 14.360 -5.445 -5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.293 -4.098 -6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.194 -3.042 -5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.751 -4.958 -3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.854 -6.011 -5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.134 -6.204 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.363 -5.084 -4.537 1.00 0.00 H new ATOM 908 N ALA A 62 13.813 -2.781 -3.582 1.00 0.00 N ATOM 909 CA ALA A 62 13.180 -2.325 -2.348 1.00 0.00 C ATOM 910 C ALA A 62 11.676 -2.645 -2.300 1.00 0.00 C ATOM 911 O ALA A 62 11.186 -3.045 -1.246 1.00 0.00 O ATOM 912 CB ALA A 62 13.426 -0.822 -2.195 1.00 0.00 C ATOM 0 H ALA A 62 14.106 -2.017 -4.192 1.00 0.00 H new ATOM 0 HA ALA A 62 13.628 -2.864 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.958 -0.468 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.498 -0.631 -2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.997 -0.295 -3.047 1.00 0.00 H new ATOM 918 N MET A 63 10.948 -2.545 -3.424 1.00 0.00 N ATOM 919 CA MET A 63 9.534 -2.963 -3.478 1.00 0.00 C ATOM 920 C MET A 63 9.353 -4.444 -3.107 1.00 0.00 C ATOM 921 O MET A 63 8.458 -4.793 -2.337 1.00 0.00 O ATOM 922 CB MET A 63 8.945 -2.703 -4.875 1.00 0.00 C ATOM 923 CG MET A 63 8.783 -1.214 -5.197 1.00 0.00 C ATOM 924 SD MET A 63 7.632 -0.292 -4.141 1.00 0.00 S ATOM 925 CE MET A 63 6.105 -1.215 -4.434 1.00 0.00 C ATOM 0 H MET A 63 11.311 -2.180 -4.305 1.00 0.00 H new ATOM 0 HA MET A 63 8.998 -2.365 -2.741 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.590 -3.162 -5.625 1.00 0.00 H new ATOM 0 HB3 MET A 63 7.973 -3.191 -4.949 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.763 -0.740 -5.133 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.451 -1.120 -6.231 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.254 -0.633 -4.079 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.994 -1.406 -5.501 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.145 -2.163 -3.898 1.00 0.00 H new ATOM 935 N GLN A 64 10.231 -5.320 -3.597 1.00 0.00 N ATOM 936 CA GLN A 64 10.174 -6.757 -3.324 1.00 0.00 C ATOM 937 C GLN A 64 10.679 -7.127 -1.926 1.00 0.00 C ATOM 938 O GLN A 64 10.112 -8.031 -1.314 1.00 0.00 O ATOM 939 CB GLN A 64 10.958 -7.517 -4.398 1.00 0.00 C ATOM 940 CG GLN A 64 10.154 -7.670 -5.698 1.00 0.00 C ATOM 941 CD GLN A 64 9.011 -8.671 -5.548 1.00 0.00 C ATOM 942 OE1 GLN A 64 9.195 -9.786 -5.077 1.00 0.00 O ATOM 943 NE2 GLN A 64 7.801 -8.327 -5.914 1.00 0.00 N ATOM 0 H GLN A 64 11.008 -5.050 -4.200 1.00 0.00 H new ATOM 0 HA GLN A 64 9.124 -7.048 -3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 64 11.889 -6.991 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.227 -8.503 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.751 -6.701 -5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.818 -7.995 -6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.631 -7.402 -6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.029 -8.984 -5.805 1.00 0.00 H new ATOM 952 N ASP A 65 11.685 -6.415 -1.401 1.00 0.00 N ATOM 953 CA ASP A 65 12.133 -6.532 -0.006 1.00 0.00 C ATOM 954 C ASP A 65 11.032 -6.079 0.972 1.00 0.00 C ATOM 955 O ASP A 65 10.864 -6.679 2.037 1.00 0.00 O ATOM 956 CB ASP A 65 13.426 -5.709 0.161 1.00 0.00 C ATOM 957 CG ASP A 65 14.116 -5.861 1.522 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.148 -6.977 2.089 1.00 0.00 O ATOM 959 OD2 ASP A 65 14.726 -4.876 2.001 1.00 0.00 O ATOM 0 H ASP A 65 12.218 -5.732 -1.940 1.00 0.00 H new ATOM 0 HA ASP A 65 12.341 -7.575 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.128 -6.000 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.192 -4.656 0.004 1.00 0.00 H new ATOM 964 N ALA A 66 10.226 -5.082 0.586 1.00 0.00 N ATOM 965 CA ALA A 66 9.047 -4.666 1.341 1.00 0.00 C ATOM 966 C ALA A 66 7.942 -5.734 1.298 1.00 0.00 C ATOM 967 O ALA A 66 7.462 -6.141 2.349 1.00 0.00 O ATOM 968 CB ALA A 66 8.566 -3.301 0.838 1.00 0.00 C ATOM 0 H ALA A 66 10.378 -4.541 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 66 9.318 -4.559 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.686 -2.994 1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.358 -2.564 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.311 -3.372 -0.219 1.00 0.00 H new ATOM 974 N ILE A 67 7.582 -6.266 0.125 1.00 0.00 N ATOM 975 CA ILE A 67 6.643 -7.400 -0.026 1.00 0.00 C ATOM 976 C ILE A 67 7.076 -8.629 0.809 1.00 0.00 C ATOM 977 O ILE A 67 6.230 -9.284 1.424 1.00 0.00 O ATOM 978 CB ILE A 67 6.455 -7.716 -1.533 1.00 0.00 C ATOM 979 CG1 ILE A 67 5.663 -6.569 -2.212 1.00 0.00 C ATOM 980 CG2 ILE A 67 5.727 -9.050 -1.782 1.00 0.00 C ATOM 981 CD1 ILE A 67 5.769 -6.557 -3.743 1.00 0.00 C ATOM 0 H ILE A 67 7.937 -5.920 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 67 5.671 -7.116 0.378 1.00 0.00 H new ATOM 0 HB ILE A 67 7.453 -7.805 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.613 -6.651 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.022 -5.615 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.626 -9.215 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.301 -9.865 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.738 -9.015 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.188 -5.725 -4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.813 -6.443 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.382 -7.494 -4.142 1.00 0.00 H new ATOM 993 N GLU A 68 8.380 -8.902 0.928 1.00 0.00 N ATOM 994 CA GLU A 68 8.932 -9.927 1.838 1.00 0.00 C ATOM 995 C GLU A 68 8.748 -9.605 3.344 1.00 0.00 C ATOM 996 O GLU A 68 8.669 -10.513 4.176 1.00 0.00 O ATOM 997 CB GLU A 68 10.428 -10.128 1.509 1.00 0.00 C ATOM 998 CG GLU A 68 10.820 -11.591 1.270 1.00 0.00 C ATOM 999 CD GLU A 68 10.833 -12.421 2.553 1.00 0.00 C ATOM 1000 OE1 GLU A 68 11.708 -12.191 3.422 1.00 0.00 O ATOM 1001 OE2 GLU A 68 10.003 -13.351 2.692 1.00 0.00 O ATOM 0 H GLU A 68 9.096 -8.414 0.390 1.00 0.00 H new ATOM 0 HA GLU A 68 8.366 -10.843 1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.676 -9.546 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.027 -9.731 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.122 -12.038 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.808 -11.627 0.810 1.00 0.00 H new ATOM 1008 N GLY A 69 8.666 -8.321 3.712 1.00 0.00 N ATOM 1009 CA GLY A 69 8.472 -7.832 5.088 1.00 0.00 C ATOM 1010 C GLY A 69 7.034 -7.421 5.455 1.00 0.00 C ATOM 1011 O GLY A 69 6.773 -7.150 6.627 1.00 0.00 O ATOM 0 H GLY A 69 8.735 -7.562 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.795 -8.610 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.126 -6.974 5.245 1.00 0.00 H new ATOM 1015 N MET A 70 6.119 -7.365 4.480 1.00 0.00 N ATOM 1016 CA MET A 70 4.719 -6.913 4.609 1.00 0.00 C ATOM 1017 C MET A 70 3.726 -8.059 4.812 1.00 0.00 C ATOM 1018 O MET A 70 2.776 -7.930 5.578 1.00 0.00 O ATOM 1019 CB MET A 70 4.311 -6.174 3.318 1.00 0.00 C ATOM 1020 CG MET A 70 4.869 -4.748 3.234 1.00 0.00 C ATOM 1021 SD MET A 70 3.954 -3.521 4.208 1.00 0.00 S ATOM 1022 CE MET A 70 4.973 -2.055 3.890 1.00 0.00 C ATOM 0 H MET A 70 6.343 -7.648 3.526 1.00 0.00 H new ATOM 0 HA MET A 70 4.681 -6.272 5.490 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.658 -6.744 2.456 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.223 -6.135 3.258 1.00 0.00 H new ATOM 0 HG2 MET A 70 5.906 -4.758 3.568 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.873 -4.434 2.190 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.553 -1.198 4.417 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.989 -2.235 4.242 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.991 -1.850 2.820 1.00 0.00 H new ATOM 1032 N ASN A 71 3.902 -9.163 4.085 1.00 0.00 N ATOM 1033 CA ASN A 71 2.848 -10.155 3.870 1.00 0.00 C ATOM 1034 C ASN A 71 2.379 -10.824 5.178 1.00 0.00 C ATOM 1035 O ASN A 71 3.119 -11.614 5.776 1.00 0.00 O ATOM 1036 CB ASN A 71 3.378 -11.147 2.820 1.00 0.00 C ATOM 1037 CG ASN A 71 2.308 -12.016 2.190 1.00 0.00 C ATOM 1038 OD1 ASN A 71 1.139 -11.990 2.550 1.00 0.00 O ATOM 1039 ND2 ASN A 71 2.676 -12.772 1.189 1.00 0.00 N ATOM 0 H ASN A 71 4.783 -9.395 3.627 1.00 0.00 H new ATOM 0 HA ASN A 71 1.942 -9.678 3.497 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.887 -10.589 2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.123 -11.790 3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.987 -13.345 0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.652 -12.789 0.894 1.00 0.00 H new ATOM 1046 N GLY A 72 1.157 -10.490 5.615 1.00 0.00 N ATOM 1047 CA GLY A 72 0.520 -11.008 6.834 1.00 0.00 C ATOM 1048 C GLY A 72 0.775 -10.202 8.120 1.00 0.00 C ATOM 1049 O GLY A 72 0.373 -10.646 9.203 1.00 0.00 O ATOM 0 H GLY A 72 0.564 -9.829 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.556 -11.057 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.864 -12.030 6.994 1.00 0.00 H new ATOM 1053 N LYS A 73 1.440 -9.037 8.055 1.00 0.00 N ATOM 1054 CA LYS A 73 1.759 -8.215 9.245 1.00 0.00 C ATOM 1055 C LYS A 73 0.530 -7.587 9.916 1.00 0.00 C ATOM 1056 O LYS A 73 -0.550 -7.505 9.334 1.00 0.00 O ATOM 1057 CB LYS A 73 2.823 -7.153 8.885 1.00 0.00 C ATOM 1058 CG LYS A 73 4.209 -7.739 8.575 1.00 0.00 C ATOM 1059 CD LYS A 73 4.855 -8.449 9.771 1.00 0.00 C ATOM 1060 CE LYS A 73 6.199 -9.073 9.391 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.674 -9.977 10.463 1.00 0.00 N ATOM 0 H LYS A 73 1.774 -8.634 7.179 1.00 0.00 H new ATOM 0 HA LYS A 73 2.169 -8.892 9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.478 -6.586 8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.914 -6.449 9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.120 -8.444 7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.867 -6.937 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.000 -7.737 10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.184 -9.224 10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.098 -9.628 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.935 -8.288 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.587 -10.392 10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.790 -9.439 11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.979 -10.737 10.610 1.00 0.00 H new ATOM 1075 N GLU A 74 0.717 -7.142 11.160 1.00 0.00 N ATOM 1076 CA GLU A 74 -0.254 -6.355 11.931 1.00 0.00 C ATOM 1077 C GLU A 74 0.198 -4.892 11.951 1.00 0.00 C ATOM 1078 O GLU A 74 1.222 -4.551 12.556 1.00 0.00 O ATOM 1079 CB GLU A 74 -0.399 -6.956 13.337 1.00 0.00 C ATOM 1080 CG GLU A 74 -1.453 -6.252 14.204 1.00 0.00 C ATOM 1081 CD GLU A 74 -1.850 -7.155 15.378 1.00 0.00 C ATOM 1082 OE1 GLU A 74 -2.764 -8.002 15.215 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -1.194 -7.105 16.445 1.00 0.00 O ATOM 0 H GLU A 74 1.577 -7.324 11.678 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.241 -6.387 11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.661 -8.010 13.247 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.565 -6.910 13.843 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.057 -5.308 14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.331 -6.014 13.603 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.539 -4.043 11.234 1.00 0.00 N ATOM 1091 CA LEU A 75 -0.137 -2.692 10.860 1.00 0.00 C ATOM 1092 C LEU A 75 -1.335 -1.738 10.915 1.00 0.00 C ATOM 1093 O LEU A 75 -2.419 -2.056 10.431 1.00 0.00 O ATOM 1094 CB LEU A 75 0.460 -2.756 9.444 1.00 0.00 C ATOM 1095 CG LEU A 75 1.360 -1.557 9.116 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.685 -1.643 9.877 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.640 -1.557 7.617 1.00 0.00 C ATOM 0 H LEU A 75 -1.466 -4.289 10.886 1.00 0.00 H new ATOM 0 HA LEU A 75 0.607 -2.308 11.558 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.037 -3.675 9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.350 -2.805 8.716 1.00 0.00 H new ATOM 0 HG LEU A 75 0.853 -0.639 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.305 -0.782 9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.489 -1.650 10.949 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.206 -2.558 9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.279 -0.710 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.141 -2.485 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.700 -1.476 7.071 1.00 0.00 H new ATOM 1109 N ASP A 76 -1.151 -0.588 11.557 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.243 0.244 12.087 1.00 0.00 C ATOM 1111 C ASP A 76 -3.217 -0.528 13.015 1.00 0.00 C ATOM 1112 O ASP A 76 -4.388 -0.168 13.159 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.933 1.038 10.957 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.729 2.219 11.519 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -3.202 2.941 12.399 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -4.897 2.442 11.124 1.00 0.00 O ATOM 0 H ASP A 76 -0.226 -0.196 11.730 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.795 0.983 12.752 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.183 1.402 10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.599 0.379 10.400 1.00 0.00 H new ATOM 1121 N GLY A 77 -2.732 -1.611 13.633 1.00 0.00 N ATOM 1122 CA GLY A 77 -3.512 -2.596 14.393 1.00 0.00 C ATOM 1123 C GLY A 77 -4.230 -3.666 13.553 1.00 0.00 C ATOM 1124 O GLY A 77 -4.830 -4.575 14.129 1.00 0.00 O ATOM 0 H GLY A 77 -1.737 -1.836 13.616 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.845 -3.097 15.095 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.257 -2.064 14.985 1.00 0.00 H new ATOM 1128 N ARG A 78 -4.167 -3.596 12.216 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.979 -4.386 11.270 1.00 0.00 C ATOM 1130 C ARG A 78 -4.121 -5.353 10.441 1.00 0.00 C ATOM 1131 O ARG A 78 -2.942 -5.106 10.207 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.755 -3.419 10.350 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.607 -2.336 11.043 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.734 -2.902 11.911 1.00 0.00 C ATOM 1135 NE ARG A 78 -8.561 -1.838 12.521 1.00 0.00 N ATOM 1136 CZ ARG A 78 -9.648 -2.032 13.252 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -10.110 -3.225 13.494 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -10.304 -1.033 13.761 1.00 0.00 N ATOM 0 H ARG A 78 -3.524 -2.963 11.741 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.677 -4.999 11.840 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.038 -2.921 9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.411 -4.010 9.711 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.958 -1.718 11.663 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.038 -1.684 10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.368 -3.548 11.304 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.306 -3.523 12.698 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.269 -0.873 12.365 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.632 -4.043 13.117 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.950 -3.341 14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.984 -0.078 13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.139 -1.204 14.321 1.00 0.00 H new ATOM 1152 N SER A 79 -4.711 -6.443 9.953 1.00 0.00 N ATOM 1153 CA SER A 79 -4.023 -7.447 9.117 1.00 0.00 C ATOM 1154 C SER A 79 -3.770 -6.940 7.686 1.00 0.00 C ATOM 1155 O SER A 79 -4.709 -6.467 7.031 1.00 0.00 O ATOM 1156 CB SER A 79 -4.810 -8.767 9.107 1.00 0.00 C ATOM 1157 OG SER A 79 -6.159 -8.580 8.703 1.00 0.00 O ATOM 0 H SER A 79 -5.692 -6.664 10.125 1.00 0.00 H new ATOM 0 HA SER A 79 -3.045 -7.628 9.562 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.325 -9.473 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.788 -9.210 10.103 1.00 0.00 H new ATOM 0 HG SER A 79 -6.199 -7.892 8.006 1.00 0.00 H new ATOM 1163 N ILE A 80 -2.528 -7.034 7.183 1.00 0.00 N ATOM 1164 CA ILE A 80 -2.119 -6.485 5.870 1.00 0.00 C ATOM 1165 C ILE A 80 -1.759 -7.532 4.802 1.00 0.00 C ATOM 1166 O ILE A 80 -1.083 -8.528 5.062 1.00 0.00 O ATOM 1167 CB ILE A 80 -1.040 -5.387 6.026 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.986 -4.477 4.778 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.348 -5.967 6.309 1.00 0.00 C ATOM 1170 CD1 ILE A 80 -0.186 -3.194 5.010 1.00 0.00 C ATOM 0 H ILE A 80 -1.767 -7.498 7.679 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.017 -6.016 5.468 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.332 -4.790 6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.543 -5.031 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.002 -4.217 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.068 -5.155 6.410 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.320 -6.544 7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.646 -6.616 5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.184 -2.597 4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.642 -2.622 5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.839 -3.448 5.279 1.00 0.00 H new ATOM 1182 N VAL A 81 -2.196 -7.241 3.575 1.00 0.00 N ATOM 1183 CA VAL A 81 -2.022 -8.026 2.342 1.00 0.00 C ATOM 1184 C VAL A 81 -1.252 -7.214 1.294 1.00 0.00 C ATOM 1185 O VAL A 81 -1.392 -5.989 1.233 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.416 -8.480 1.851 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -3.538 -8.782 0.354 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.818 -9.736 2.628 1.00 0.00 C ATOM 0 H VAL A 81 -2.722 -6.385 3.400 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.423 -8.917 2.531 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.073 -7.629 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.559 -9.090 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.293 -7.887 -0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.849 -9.583 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.800 -10.071 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.086 -10.524 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.855 -9.509 3.693 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.442 -7.898 0.475 1.00 0.00 N ATOM 1199 CA VAL A 82 0.419 -7.317 -0.575 1.00 0.00 C ATOM 1200 C VAL A 82 0.392 -8.138 -1.880 1.00 0.00 C ATOM 1201 O VAL A 82 0.401 -9.372 -1.831 1.00 0.00 O ATOM 1202 CB VAL A 82 1.875 -7.139 -0.113 1.00 0.00 C ATOM 1203 CG1 VAL A 82 1.955 -5.951 0.845 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.488 -8.376 0.555 1.00 0.00 C ATOM 0 H VAL A 82 -0.362 -8.914 0.524 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.002 -6.332 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 82 2.461 -6.967 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.985 -5.819 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.620 -5.048 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.317 -6.137 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.515 -8.160 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.906 -8.638 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.479 -9.210 -0.146 1.00 0.00 H new ATOM 1214 N ASN A 83 0.403 -7.482 -3.049 1.00 0.00 N ATOM 1215 CA ASN A 83 0.736 -8.108 -4.347 1.00 0.00 C ATOM 1216 C ASN A 83 1.188 -7.090 -5.419 1.00 0.00 C ATOM 1217 O ASN A 83 0.847 -5.912 -5.370 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.421 -8.985 -4.874 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.774 -8.299 -4.940 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.076 -7.552 -5.861 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -2.658 -8.571 -4.010 1.00 0.00 N ATOM 0 H ASN A 83 0.179 -6.490 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 83 1.592 -8.753 -4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.162 -9.339 -5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.508 -9.865 -4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.591 -8.161 -4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.413 -9.193 -3.240 1.00 0.00 H new ATOM 1228 N GLU A 84 1.960 -7.548 -6.407 1.00 0.00 N ATOM 1229 CA GLU A 84 2.549 -6.727 -7.482 1.00 0.00 C ATOM 1230 C GLU A 84 1.523 -5.995 -8.382 1.00 0.00 C ATOM 1231 O GLU A 84 0.451 -6.537 -8.672 1.00 0.00 O ATOM 1232 CB GLU A 84 3.531 -7.589 -8.303 1.00 0.00 C ATOM 1233 CG GLU A 84 2.982 -8.915 -8.876 1.00 0.00 C ATOM 1234 CD GLU A 84 2.127 -8.767 -10.138 1.00 0.00 C ATOM 1235 OE1 GLU A 84 2.517 -8.028 -11.071 1.00 0.00 O ATOM 1236 OE2 GLU A 84 1.071 -9.440 -10.256 1.00 0.00 O ATOM 0 H GLU A 84 2.204 -8.535 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 84 3.087 -5.914 -6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.899 -6.987 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.389 -7.821 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.822 -9.573 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.387 -9.407 -8.107 1.00 0.00 H new ATOM 1243 N ALA A 85 1.833 -4.756 -8.808 1.00 0.00 N ATOM 1244 CA ALA A 85 0.968 -3.877 -9.619 1.00 0.00 C ATOM 1245 C ALA A 85 1.683 -3.223 -10.840 1.00 0.00 C ATOM 1246 O ALA A 85 1.382 -2.086 -11.219 1.00 0.00 O ATOM 1247 CB ALA A 85 0.295 -2.853 -8.695 1.00 0.00 C ATOM 0 H ALA A 85 2.729 -4.322 -8.588 1.00 0.00 H new ATOM 0 HA ALA A 85 0.202 -4.498 -10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.347 -2.198 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.305 -3.375 -7.950 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.059 -2.258 -8.194 1.00 0.00 H new