USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 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 Single : A 9 THR OG1 : rot 23:sc= 0.0885 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -124:sc= -0.0241 USER MOD Single : A 20 ASN : amide:sc= -0.0973 X(o=-0.097,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.057 K(o=-0.057,f=-1) USER MOD Single : A 33 TYR OH : rot 70:sc= -0.832 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00175 USER MOD Single : A 39 SER OG : rot -120:sc= 1.81 USER MOD Single : A 42 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.43) USER MOD Single : A 47 GLN : amide:sc= -0.515 X(o=-0.52,f=-0.043) USER MOD Single : A 50 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.0081) USER MOD Single : A 52 HIS : no HD1:sc= -0.553 K(o=-0.55,f=-1.5) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.645 USER MOD Single : A 59 SER OG : rot 180:sc= -0.99 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 16.636 1.127 -9.807 1.00 64.32 N ATOM 104 CA THR A 9 18.011 1.586 -9.648 1.00 75.25 C ATOM 105 C THR A 9 18.062 2.931 -8.933 1.00 54.14 C ATOM 106 O THR A 9 17.159 3.756 -9.076 1.00 42.23 O ATOM 107 CB THR A 9 18.721 1.713 -11.009 1.00 50.23 C ATOM 108 OG1 THR A 9 18.650 0.471 -11.717 1.00 70.42 O ATOM 109 CG2 THR A 9 20.177 2.115 -10.824 1.00 75.13 C ATOM 0 HA THR A 9 18.527 0.838 -9.046 1.00 75.25 H new ATOM 0 HB THR A 9 18.217 2.488 -11.586 1.00 50.23 H new ATOM 0 HG1 THR A 9 17.894 -0.054 -11.381 1.00 70.42 H new ATOM 0 HG21 THR A 9 20.658 2.199 -11.799 1.00 75.13 H new ATOM 0 HG22 THR A 9 20.227 3.076 -10.311 1.00 75.13 H new ATOM 0 HG23 THR A 9 20.690 1.359 -10.230 1.00 75.13 H new ATOM 117 N VAL A 10 19.123 3.147 -8.163 1.00 65.24 N ATOM 118 CA VAL A 10 19.293 4.394 -7.427 1.00 22.30 C ATOM 119 C VAL A 10 20.585 5.097 -7.827 1.00 25.31 C ATOM 120 O VAL A 10 21.523 4.465 -8.315 1.00 2.34 O ATOM 121 CB VAL A 10 19.303 4.150 -5.906 1.00 45.41 C ATOM 122 CG1 VAL A 10 19.138 5.462 -5.154 1.00 42.32 C ATOM 123 CG2 VAL A 10 18.214 3.163 -5.518 1.00 33.34 C ATOM 0 H VAL A 10 19.878 2.474 -8.032 1.00 65.24 H new ATOM 0 HA VAL A 10 18.445 5.030 -7.680 1.00 22.30 H new ATOM 0 HB VAL A 10 20.266 3.720 -5.631 1.00 45.41 H new ATOM 0 HG11 VAL A 10 19.147 5.270 -4.081 1.00 42.32 H new ATOM 0 HG12 VAL A 10 19.958 6.133 -5.410 1.00 42.32 H new ATOM 0 HG13 VAL A 10 18.191 5.924 -5.432 1.00 42.32 H new ATOM 0 HG21 VAL A 10 18.236 3.002 -4.440 1.00 33.34 H new ATOM 0 HG22 VAL A 10 17.242 3.562 -5.806 1.00 33.34 H new ATOM 0 HG23 VAL A 10 18.383 2.215 -6.029 1.00 33.34 H new ATOM 133 N VAL A 11 20.629 6.409 -7.617 1.00 34.41 N ATOM 134 CA VAL A 11 21.807 7.198 -7.954 1.00 11.42 C ATOM 135 C VAL A 11 22.263 8.039 -6.767 1.00 10.04 C ATOM 136 O VAL A 11 21.448 8.476 -5.953 1.00 23.41 O ATOM 137 CB VAL A 11 21.536 8.127 -9.152 1.00 41.05 C ATOM 138 CG1 VAL A 11 21.201 7.314 -10.393 1.00 71.43 C ATOM 139 CG2 VAL A 11 20.417 9.104 -8.827 1.00 35.03 C ATOM 0 H VAL A 11 19.862 6.948 -7.215 1.00 34.41 H new ATOM 0 HA VAL A 11 22.594 6.493 -8.221 1.00 11.42 H new ATOM 0 HB VAL A 11 22.440 8.701 -9.356 1.00 41.05 H new ATOM 0 HG11 VAL A 11 21.013 7.987 -11.229 1.00 71.43 H new ATOM 0 HG12 VAL A 11 22.038 6.659 -10.636 1.00 71.43 H new ATOM 0 HG13 VAL A 11 20.312 6.712 -10.205 1.00 71.43 H new ATOM 0 HG21 VAL A 11 20.239 9.752 -9.685 1.00 35.03 H new ATOM 0 HG22 VAL A 11 19.507 8.551 -8.596 1.00 35.03 H new ATOM 0 HG23 VAL A 11 20.702 9.710 -7.967 1.00 35.03 H new ATOM 149 N ILE A 12 23.569 8.262 -6.674 1.00 45.50 N ATOM 150 CA ILE A 12 24.134 9.053 -5.587 1.00 33.52 C ATOM 151 C ILE A 12 24.661 10.390 -6.095 1.00 71.03 C ATOM 152 O ILE A 12 25.349 10.451 -7.114 1.00 22.34 O ATOM 153 CB ILE A 12 25.275 8.300 -4.877 1.00 72.13 C ATOM 154 CG1 ILE A 12 24.960 6.804 -4.804 1.00 4.30 C ATOM 155 CG2 ILE A 12 25.499 8.869 -3.484 1.00 74.41 C ATOM 156 CD1 ILE A 12 26.009 6.002 -4.066 1.00 63.23 C ATOM 0 H ILE A 12 24.257 7.906 -7.338 1.00 45.50 H new ATOM 0 HA ILE A 12 23.328 9.231 -4.875 1.00 33.52 H new ATOM 0 HB ILE A 12 26.191 8.431 -5.453 1.00 72.13 H new ATOM 0 HG12 ILE A 12 23.997 6.667 -4.312 1.00 4.30 H new ATOM 0 HG13 ILE A 12 24.860 6.412 -5.816 1.00 4.30 H new ATOM 0 HG21 ILE A 12 26.308 8.326 -2.995 1.00 74.41 H new ATOM 0 HG22 ILE A 12 25.763 9.924 -3.560 1.00 74.41 H new ATOM 0 HG23 ILE A 12 24.586 8.765 -2.897 1.00 74.41 H new ATOM 0 HD11 ILE A 12 25.721 4.951 -4.053 1.00 63.23 H new ATOM 0 HD12 ILE A 12 26.970 6.109 -4.570 1.00 63.23 H new ATOM 0 HD13 ILE A 12 26.093 6.368 -3.043 1.00 63.23 H new ATOM 168 N ALA A 13 24.334 11.460 -5.378 1.00 23.12 N ATOM 169 CA ALA A 13 24.778 12.796 -5.754 1.00 1.41 C ATOM 170 C ALA A 13 26.254 12.997 -5.427 1.00 11.23 C ATOM 171 O ALA A 13 26.690 12.750 -4.302 1.00 2.14 O ATOM 172 CB ALA A 13 23.932 13.850 -5.054 1.00 23.22 C ATOM 0 H ALA A 13 23.763 11.427 -4.533 1.00 23.12 H new ATOM 0 HA ALA A 13 24.654 12.903 -6.832 1.00 1.41 H new ATOM 0 HB1 ALA A 13 24.275 14.843 -5.344 1.00 23.22 H new ATOM 0 HB2 ALA A 13 22.888 13.728 -5.342 1.00 23.22 H new ATOM 0 HB3 ALA A 13 24.027 13.734 -3.974 1.00 23.22 H new ATOM 178 N LEU A 14 27.019 13.446 -6.416 1.00 74.41 N ATOM 179 CA LEU A 14 28.447 13.679 -6.234 1.00 10.14 C ATOM 180 C LEU A 14 28.710 15.106 -5.764 1.00 52.53 C ATOM 181 O LEU A 14 29.671 15.365 -5.039 1.00 53.44 O ATOM 182 CB LEU A 14 29.198 13.413 -7.539 1.00 62.22 C ATOM 183 CG LEU A 14 28.698 12.233 -8.373 1.00 75.00 C ATOM 184 CD1 LEU A 14 29.593 12.016 -9.583 1.00 1.21 C ATOM 185 CD2 LEU A 14 28.629 10.971 -7.525 1.00 1.41 C ATOM 0 H LEU A 14 26.674 13.656 -7.353 1.00 74.41 H new ATOM 0 HA LEU A 14 28.807 12.992 -5.469 1.00 10.14 H new ATOM 0 HB2 LEU A 14 29.149 14.312 -8.153 1.00 62.22 H new ATOM 0 HB3 LEU A 14 30.249 13.245 -7.302 1.00 62.22 H new ATOM 0 HG LEU A 14 27.693 12.464 -8.727 1.00 75.00 H new ATOM 0 HD11 LEU A 14 29.221 11.172 -10.164 1.00 1.21 H new ATOM 0 HD12 LEU A 14 29.591 12.913 -10.203 1.00 1.21 H new ATOM 0 HD13 LEU A 14 30.610 11.808 -9.251 1.00 1.21 H new ATOM 0 HD21 LEU A 14 28.271 10.142 -8.135 1.00 1.41 H new ATOM 0 HD22 LEU A 14 29.621 10.737 -7.140 1.00 1.41 H new ATOM 0 HD23 LEU A 14 27.945 11.130 -6.691 1.00 1.41 H new ATOM 197 N TYR A 15 27.849 16.028 -6.181 1.00 0.42 N ATOM 198 CA TYR A 15 27.988 17.430 -5.803 1.00 61.14 C ATOM 199 C TYR A 15 26.622 18.098 -5.678 1.00 5.35 C ATOM 200 O TYR A 15 25.648 17.666 -6.293 1.00 31.42 O ATOM 201 CB TYR A 15 28.840 18.175 -6.833 1.00 31.24 C ATOM 202 CG TYR A 15 30.129 17.465 -7.179 1.00 62.03 C ATOM 203 CD1 TYR A 15 31.262 17.614 -6.389 1.00 10.41 C ATOM 204 CD2 TYR A 15 30.214 16.644 -8.297 1.00 70.21 C ATOM 205 CE1 TYR A 15 32.442 16.968 -6.703 1.00 0.35 C ATOM 206 CE2 TYR A 15 31.389 15.993 -8.617 1.00 65.45 C ATOM 207 CZ TYR A 15 32.501 16.158 -7.817 1.00 52.55 C ATOM 208 OH TYR A 15 33.674 15.512 -8.132 1.00 40.04 O ATOM 0 H TYR A 15 27.048 15.830 -6.781 1.00 0.42 H new ATOM 0 HA TYR A 15 28.483 17.472 -4.833 1.00 61.14 H new ATOM 0 HB2 TYR A 15 28.256 18.314 -7.743 1.00 31.24 H new ATOM 0 HB3 TYR A 15 29.074 19.168 -6.449 1.00 31.24 H new ATOM 0 HD1 TYR A 15 31.220 18.246 -5.514 1.00 10.41 H new ATOM 0 HD2 TYR A 15 29.346 16.513 -8.926 1.00 70.21 H new ATOM 0 HE1 TYR A 15 33.314 17.097 -6.079 1.00 0.35 H new ATOM 0 HE2 TYR A 15 31.437 15.358 -9.489 1.00 65.45 H new ATOM 0 HH TYR A 15 33.547 14.981 -8.945 1.00 40.04 H new ATOM 218 N ASP A 16 26.561 19.156 -4.876 1.00 73.02 N ATOM 219 CA ASP A 16 25.316 19.887 -4.669 1.00 72.15 C ATOM 220 C ASP A 16 24.893 20.612 -5.944 1.00 22.34 C ATOM 221 O ASP A 16 25.449 21.655 -6.290 1.00 33.51 O ATOM 222 CB ASP A 16 25.472 20.890 -3.525 1.00 63.14 C ATOM 223 CG ASP A 16 24.359 21.919 -3.501 1.00 62.12 C ATOM 224 OD1 ASP A 16 23.179 21.517 -3.572 1.00 1.32 O ATOM 225 OD2 ASP A 16 24.668 23.126 -3.413 1.00 23.25 O ATOM 0 H ASP A 16 27.359 19.526 -4.359 1.00 73.02 H new ATOM 0 HA ASP A 16 24.540 19.167 -4.407 1.00 72.15 H new ATOM 0 HB2 ASP A 16 25.488 20.354 -2.576 1.00 63.14 H new ATOM 0 HB3 ASP A 16 26.431 21.399 -3.620 1.00 63.14 H new ATOM 230 N TYR A 17 23.908 20.052 -6.637 1.00 64.03 N ATOM 231 CA TYR A 17 23.414 20.643 -7.875 1.00 72.21 C ATOM 232 C TYR A 17 22.257 21.598 -7.599 1.00 34.15 C ATOM 233 O TYR A 17 21.483 21.398 -6.662 1.00 65.32 O ATOM 234 CB TYR A 17 22.965 19.548 -8.844 1.00 62.41 C ATOM 235 CG TYR A 17 22.262 20.077 -10.073 1.00 52.32 C ATOM 236 CD1 TYR A 17 22.968 20.736 -11.072 1.00 3.42 C ATOM 237 CD2 TYR A 17 20.891 19.920 -10.236 1.00 30.15 C ATOM 238 CE1 TYR A 17 22.330 21.223 -12.196 1.00 71.23 C ATOM 239 CE2 TYR A 17 20.245 20.402 -11.357 1.00 74.42 C ATOM 240 CZ TYR A 17 20.968 21.053 -12.335 1.00 21.54 C ATOM 241 OH TYR A 17 20.328 21.535 -13.453 1.00 14.11 O ATOM 0 H TYR A 17 23.436 19.190 -6.363 1.00 64.03 H new ATOM 0 HA TYR A 17 24.228 21.208 -8.328 1.00 72.21 H new ATOM 0 HB2 TYR A 17 23.836 18.970 -9.154 1.00 62.41 H new ATOM 0 HB3 TYR A 17 22.298 18.863 -8.321 1.00 62.41 H new ATOM 0 HD1 TYR A 17 24.035 20.870 -10.968 1.00 3.42 H new ATOM 0 HD2 TYR A 17 20.321 19.412 -9.472 1.00 30.15 H new ATOM 0 HE1 TYR A 17 22.894 21.734 -12.962 1.00 71.23 H new ATOM 0 HE2 TYR A 17 19.179 20.270 -11.468 1.00 74.42 H new ATOM 0 HH TYR A 17 19.371 21.331 -13.395 1.00 14.11 H new ATOM 251 N GLN A 18 22.145 22.636 -8.421 1.00 63.11 N ATOM 252 CA GLN A 18 21.083 23.623 -8.266 1.00 31.43 C ATOM 253 C GLN A 18 20.512 24.026 -9.621 1.00 42.02 C ATOM 254 O GLN A 18 21.242 24.471 -10.507 1.00 45.13 O ATOM 255 CB GLN A 18 21.609 24.858 -7.532 1.00 75.32 C ATOM 256 CG GLN A 18 21.590 24.720 -6.018 1.00 51.24 C ATOM 257 CD GLN A 18 21.805 26.043 -5.310 1.00 21.25 C ATOM 258 OE1 GLN A 18 22.776 26.752 -5.575 1.00 62.11 O ATOM 259 NE2 GLN A 18 20.898 26.383 -4.401 1.00 72.34 N ATOM 0 H GLN A 18 22.777 22.815 -9.201 1.00 63.11 H new ATOM 0 HA GLN A 18 20.285 23.172 -7.677 1.00 31.43 H new ATOM 0 HB2 GLN A 18 22.630 25.056 -7.858 1.00 75.32 H new ATOM 0 HB3 GLN A 18 21.010 25.723 -7.817 1.00 75.32 H new ATOM 0 HG2 GLN A 18 20.635 24.297 -5.707 1.00 51.24 H new ATOM 0 HG3 GLN A 18 22.365 24.018 -5.711 1.00 51.24 H new ATOM 0 HE21 GLN A 18 20.108 25.765 -4.213 1.00 72.34 H new ATOM 0 HE22 GLN A 18 20.991 27.262 -3.891 1.00 72.34 H new ATOM 268 N THR A 19 19.201 23.867 -9.777 1.00 4.41 N ATOM 269 CA THR A 19 18.533 24.213 -11.025 1.00 14.43 C ATOM 270 C THR A 19 18.089 25.672 -11.025 1.00 32.25 C ATOM 271 O THR A 19 17.996 26.302 -9.972 1.00 63.01 O ATOM 272 CB THR A 19 17.306 23.315 -11.272 1.00 52.43 C ATOM 273 OG1 THR A 19 16.617 23.741 -12.453 1.00 43.44 O ATOM 274 CG2 THR A 19 16.357 23.355 -10.084 1.00 1.41 C ATOM 0 H THR A 19 18.581 23.501 -9.054 1.00 4.41 H new ATOM 0 HA THR A 19 19.256 24.056 -11.825 1.00 14.43 H new ATOM 0 HB THR A 19 17.655 22.291 -11.404 1.00 52.43 H new ATOM 0 HG1 THR A 19 15.682 23.937 -12.234 1.00 43.44 H new ATOM 0 HG21 THR A 19 15.499 22.713 -10.282 1.00 1.41 H new ATOM 0 HG22 THR A 19 16.875 23.003 -9.192 1.00 1.41 H new ATOM 0 HG23 THR A 19 16.016 24.378 -9.925 1.00 1.41 H new ATOM 282 N ASN A 20 17.815 26.202 -12.212 1.00 13.20 N ATOM 283 CA ASN A 20 17.380 27.588 -12.348 1.00 70.32 C ATOM 284 C ASN A 20 15.858 27.678 -12.395 1.00 53.05 C ATOM 285 O ASN A 20 15.276 28.710 -12.059 1.00 61.30 O ATOM 286 CB ASN A 20 17.978 28.210 -13.611 1.00 65.14 C ATOM 287 CG ASN A 20 19.444 27.862 -13.789 1.00 10.55 C ATOM 288 OD1 ASN A 20 20.326 28.604 -13.355 1.00 31.33 O ATOM 289 ND2 ASN A 20 19.710 26.730 -14.429 1.00 41.01 N ATOM 0 H ASN A 20 17.886 25.694 -13.093 1.00 13.20 H new ATOM 0 HA ASN A 20 17.732 28.141 -11.477 1.00 70.32 H new ATOM 0 HB2 ASN A 20 17.418 27.868 -14.481 1.00 65.14 H new ATOM 0 HB3 ASN A 20 17.867 29.293 -13.566 1.00 65.14 H new ATOM 0 HD21 ASN A 20 20.678 26.444 -14.578 1.00 41.01 H new ATOM 0 HD22 ASN A 20 18.947 26.146 -14.771 1.00 41.01 H new ATOM 296 N ASP A 21 15.219 26.591 -12.815 1.00 11.35 N ATOM 297 CA ASP A 21 13.764 26.546 -12.904 1.00 41.53 C ATOM 298 C ASP A 21 13.203 25.398 -12.072 1.00 24.31 C ATOM 299 O ASP A 21 13.906 24.447 -11.728 1.00 42.01 O ATOM 300 CB ASP A 21 13.326 26.398 -14.362 1.00 62.52 C ATOM 301 CG ASP A 21 13.132 27.736 -15.048 1.00 64.51 C ATOM 302 OD1 ASP A 21 13.450 28.772 -14.428 1.00 12.22 O ATOM 303 OD2 ASP A 21 12.664 27.746 -16.206 1.00 3.14 O ATOM 0 H ASP A 21 15.686 25.730 -13.099 1.00 11.35 H new ATOM 0 HA ASP A 21 13.371 27.482 -12.508 1.00 41.53 H new ATOM 0 HB2 ASP A 21 14.073 25.819 -14.906 1.00 62.52 H new ATOM 0 HB3 ASP A 21 12.394 25.834 -14.403 1.00 62.52 H new ATOM 308 N PRO A 22 11.907 25.486 -11.738 1.00 62.23 N ATOM 309 CA PRO A 22 11.224 24.463 -10.942 1.00 35.34 C ATOM 310 C PRO A 22 11.038 23.158 -11.709 1.00 43.21 C ATOM 311 O PRO A 22 10.767 22.114 -11.118 1.00 33.42 O ATOM 312 CB PRO A 22 9.866 25.100 -10.635 1.00 40.22 C ATOM 313 CG PRO A 22 9.647 26.075 -11.741 1.00 31.53 C ATOM 314 CD PRO A 22 11.009 26.591 -12.114 1.00 21.33 C ATOM 0 HA PRO A 22 11.794 24.191 -10.054 1.00 35.34 H new ATOM 0 HB2 PRO A 22 9.075 24.351 -10.605 1.00 40.22 H new ATOM 0 HB3 PRO A 22 9.872 25.597 -9.665 1.00 40.22 H new ATOM 0 HG2 PRO A 22 9.164 25.597 -12.593 1.00 31.53 H new ATOM 0 HG3 PRO A 22 8.996 26.888 -11.421 1.00 31.53 H new ATOM 0 HD2 PRO A 22 11.075 26.818 -13.178 1.00 21.33 H new ATOM 0 HD3 PRO A 22 11.253 27.507 -11.577 1.00 21.33 H new ATOM 322 N GLN A 23 11.188 23.227 -13.028 1.00 75.40 N ATOM 323 CA GLN A 23 11.036 22.050 -13.875 1.00 61.25 C ATOM 324 C GLN A 23 12.023 20.959 -13.474 1.00 24.03 C ATOM 325 O GLN A 23 11.670 19.782 -13.411 1.00 60.04 O ATOM 326 CB GLN A 23 11.241 22.423 -15.345 1.00 13.54 C ATOM 327 CG GLN A 23 10.505 21.511 -16.313 1.00 23.24 C ATOM 328 CD GLN A 23 9.125 22.027 -16.667 1.00 35.23 C ATOM 329 OE1 GLN A 23 8.162 21.817 -15.928 1.00 23.14 O ATOM 330 NE2 GLN A 23 9.020 22.707 -17.802 1.00 74.14 N ATOM 0 H GLN A 23 11.414 24.084 -13.532 1.00 75.40 H new ATOM 0 HA GLN A 23 10.024 21.667 -13.742 1.00 61.25 H new ATOM 0 HB2 GLN A 23 10.907 23.449 -15.501 1.00 13.54 H new ATOM 0 HB3 GLN A 23 12.307 22.396 -15.573 1.00 13.54 H new ATOM 0 HG2 GLN A 23 11.093 21.404 -17.224 1.00 23.24 H new ATOM 0 HG3 GLN A 23 10.415 20.518 -15.873 1.00 23.24 H new ATOM 0 HE21 GLN A 23 9.844 22.858 -18.384 1.00 74.14 H new ATOM 0 HE22 GLN A 23 8.116 23.079 -18.092 1.00 74.14 H new ATOM 339 N GLU A 24 13.262 21.359 -13.203 1.00 11.12 N ATOM 340 CA GLU A 24 14.300 20.414 -12.808 1.00 40.13 C ATOM 341 C GLU A 24 14.465 20.389 -11.291 1.00 74.44 C ATOM 342 O GLU A 24 14.023 21.302 -10.592 1.00 64.41 O ATOM 343 CB GLU A 24 15.631 20.778 -13.471 1.00 15.35 C ATOM 344 CG GLU A 24 15.482 21.292 -14.893 1.00 10.34 C ATOM 345 CD GLU A 24 14.726 20.328 -15.786 1.00 22.43 C ATOM 346 OE1 GLU A 24 13.478 20.380 -15.792 1.00 64.15 O ATOM 347 OE2 GLU A 24 15.382 19.521 -16.477 1.00 72.42 O ATOM 0 H GLU A 24 13.571 22.330 -13.250 1.00 11.12 H new ATOM 0 HA GLU A 24 13.996 19.421 -13.139 1.00 40.13 H new ATOM 0 HB2 GLU A 24 16.131 21.537 -12.870 1.00 15.35 H new ATOM 0 HB3 GLU A 24 16.277 19.900 -13.477 1.00 15.35 H new ATOM 0 HG2 GLU A 24 14.962 22.250 -14.876 1.00 10.34 H new ATOM 0 HG3 GLU A 24 16.470 21.473 -15.315 1.00 10.34 H new ATOM 354 N LEU A 25 15.102 19.337 -10.789 1.00 74.32 N ATOM 355 CA LEU A 25 15.325 19.190 -9.355 1.00 12.41 C ATOM 356 C LEU A 25 16.777 19.490 -8.996 1.00 71.55 C ATOM 357 O LEU A 25 17.621 19.662 -9.876 1.00 13.05 O ATOM 358 CB LEU A 25 14.957 17.776 -8.903 1.00 60.13 C ATOM 359 CG LEU A 25 13.798 17.668 -7.912 1.00 52.00 C ATOM 360 CD1 LEU A 25 12.588 18.438 -8.419 1.00 44.21 C ATOM 361 CD2 LEU A 25 13.439 16.209 -7.667 1.00 43.54 C ATOM 0 H LEU A 25 15.473 18.573 -11.354 1.00 74.32 H new ATOM 0 HA LEU A 25 14.687 19.907 -8.838 1.00 12.41 H new ATOM 0 HB2 LEU A 25 14.710 17.187 -9.786 1.00 60.13 H new ATOM 0 HB3 LEU A 25 15.838 17.320 -8.452 1.00 60.13 H new ATOM 0 HG LEU A 25 14.113 18.108 -6.966 1.00 52.00 H new ATOM 0 HD11 LEU A 25 11.773 18.350 -7.700 1.00 44.21 H new ATOM 0 HD12 LEU A 25 12.851 19.489 -8.542 1.00 44.21 H new ATOM 0 HD13 LEU A 25 12.272 18.028 -9.378 1.00 44.21 H new ATOM 0 HD21 LEU A 25 12.612 16.152 -6.959 1.00 43.54 H new ATOM 0 HD22 LEU A 25 13.144 15.744 -8.608 1.00 43.54 H new ATOM 0 HD23 LEU A 25 14.303 15.685 -7.259 1.00 43.54 H new ATOM 373 N ALA A 26 17.061 19.547 -7.699 1.00 50.45 N ATOM 374 CA ALA A 26 18.412 19.821 -7.225 1.00 13.12 C ATOM 375 C ALA A 26 18.993 18.613 -6.498 1.00 4.31 C ATOM 376 O ALA A 26 18.261 17.825 -5.898 1.00 5.24 O ATOM 377 CB ALA A 26 18.414 21.039 -6.314 1.00 0.55 C ATOM 0 H ALA A 26 16.374 19.407 -6.958 1.00 50.45 H new ATOM 0 HA ALA A 26 19.040 20.028 -8.091 1.00 13.12 H new ATOM 0 HB1 ALA A 26 19.429 21.232 -5.967 1.00 0.55 H new ATOM 0 HB2 ALA A 26 18.047 21.906 -6.864 1.00 0.55 H new ATOM 0 HB3 ALA A 26 17.767 20.853 -5.457 1.00 0.55 H new ATOM 383 N LEU A 27 20.313 18.473 -6.556 1.00 61.13 N ATOM 384 CA LEU A 27 20.994 17.360 -5.904 1.00 33.24 C ATOM 385 C LEU A 27 21.703 17.823 -4.635 1.00 52.42 C ATOM 386 O LEU A 27 21.887 19.021 -4.418 1.00 0.13 O ATOM 387 CB LEU A 27 22.002 16.721 -6.861 1.00 35.25 C ATOM 388 CG LEU A 27 21.450 16.272 -8.214 1.00 62.42 C ATOM 389 CD1 LEU A 27 22.583 16.050 -9.205 1.00 34.22 C ATOM 390 CD2 LEU A 27 20.620 15.006 -8.058 1.00 71.13 C ATOM 0 H LEU A 27 20.933 19.116 -7.048 1.00 61.13 H new ATOM 0 HA LEU A 27 20.244 16.619 -5.629 1.00 33.24 H new ATOM 0 HB2 LEU A 27 22.807 17.434 -7.038 1.00 35.25 H new ATOM 0 HB3 LEU A 27 22.445 15.856 -6.367 1.00 35.25 H new ATOM 0 HG LEU A 27 20.804 17.060 -8.601 1.00 62.42 H new ATOM 0 HD11 LEU A 27 22.172 15.731 -10.163 1.00 34.22 H new ATOM 0 HD12 LEU A 27 23.136 16.980 -9.340 1.00 34.22 H new ATOM 0 HD13 LEU A 27 23.254 15.280 -8.824 1.00 34.22 H new ATOM 0 HD21 LEU A 27 20.235 14.701 -9.031 1.00 71.13 H new ATOM 0 HD22 LEU A 27 21.243 14.211 -7.649 1.00 71.13 H new ATOM 0 HD23 LEU A 27 19.787 15.198 -7.382 1.00 71.13 H new ATOM 402 N ARG A 28 22.100 16.867 -3.802 1.00 43.04 N ATOM 403 CA ARG A 28 22.790 17.177 -2.556 1.00 44.32 C ATOM 404 C ARG A 28 23.960 16.223 -2.330 1.00 53.32 C ATOM 405 O ARG A 28 23.802 15.004 -2.401 1.00 51.54 O ATOM 406 CB ARG A 28 21.819 17.099 -1.377 1.00 71.32 C ATOM 407 CG ARG A 28 21.074 18.397 -1.114 1.00 3.41 C ATOM 408 CD ARG A 28 21.969 19.425 -0.438 1.00 53.12 C ATOM 409 NE ARG A 28 22.288 19.052 0.937 1.00 4.42 N ATOM 410 CZ ARG A 28 21.403 19.067 1.927 1.00 30.33 C ATOM 411 NH1 ARG A 28 20.150 19.433 1.695 1.00 30.23 N ATOM 412 NH2 ARG A 28 21.770 18.714 3.153 1.00 62.34 N ATOM 0 H ARG A 28 21.956 15.871 -3.968 1.00 43.04 H new ATOM 0 HA ARG A 28 23.180 18.192 -2.629 1.00 44.32 H new ATOM 0 HB2 ARG A 28 21.095 16.306 -1.566 1.00 71.32 H new ATOM 0 HB3 ARG A 28 22.372 16.819 -0.480 1.00 71.32 H new ATOM 0 HG2 ARG A 28 20.700 18.801 -2.055 1.00 3.41 H new ATOM 0 HG3 ARG A 28 20.206 18.199 -0.485 1.00 3.41 H new ATOM 0 HD2 ARG A 28 22.892 19.533 -1.008 1.00 53.12 H new ATOM 0 HD3 ARG A 28 21.475 20.396 -0.445 1.00 53.12 H new ATOM 0 HE ARG A 28 23.243 18.764 1.149 1.00 4.42 H new ATOM 0 HH11 ARG A 28 19.864 19.704 0.754 1.00 30.23 H new ATOM 0 HH12 ARG A 28 19.472 19.444 2.457 1.00 30.23 H new ATOM 0 HH21 ARG A 28 22.733 18.431 3.335 1.00 62.34 H new ATOM 0 HH22 ARG A 28 21.089 18.726 3.912 1.00 62.34 H new ATOM 426 N ARG A 29 25.132 16.787 -2.058 1.00 62.31 N ATOM 427 CA ARG A 29 26.328 15.987 -1.824 1.00 22.45 C ATOM 428 C ARG A 29 26.063 14.906 -0.779 1.00 42.12 C ATOM 429 O ARG A 29 25.478 15.173 0.269 1.00 32.14 O ATOM 430 CB ARG A 29 27.484 16.879 -1.367 1.00 54.53 C ATOM 431 CG ARG A 29 28.855 16.335 -1.732 1.00 31.31 C ATOM 432 CD ARG A 29 29.959 17.049 -0.969 1.00 1.42 C ATOM 433 NE ARG A 29 29.926 16.742 0.458 1.00 32.44 N ATOM 434 CZ ARG A 29 30.410 15.620 0.980 1.00 45.11 C ATOM 435 NH1 ARG A 29 30.963 14.705 0.196 1.00 42.15 N ATOM 436 NH2 ARG A 29 30.343 15.412 2.289 1.00 43.33 N ATOM 0 H ARG A 29 25.279 17.794 -1.994 1.00 62.31 H new ATOM 0 HA ARG A 29 26.600 15.504 -2.762 1.00 22.45 H new ATOM 0 HB2 ARG A 29 27.365 17.868 -1.810 1.00 54.53 H new ATOM 0 HB3 ARG A 29 27.429 17.005 -0.286 1.00 54.53 H new ATOM 0 HG2 ARG A 29 28.893 15.267 -1.515 1.00 31.31 H new ATOM 0 HG3 ARG A 29 29.019 16.449 -2.803 1.00 31.31 H new ATOM 0 HD2 ARG A 29 30.927 16.762 -1.379 1.00 1.42 H new ATOM 0 HD3 ARG A 29 29.860 18.125 -1.110 1.00 1.42 H new ATOM 0 HE ARG A 29 29.509 17.426 1.089 1.00 32.44 H new ATOM 0 HH11 ARG A 29 31.018 14.861 -0.810 1.00 42.15 H new ATOM 0 HH12 ARG A 29 31.334 13.845 0.599 1.00 42.15 H new ATOM 0 HH21 ARG A 29 29.919 16.114 2.896 1.00 43.33 H new ATOM 0 HH22 ARG A 29 30.715 14.550 2.688 1.00 43.33 H new ATOM 450 N ASN A 30 26.498 13.685 -1.075 1.00 1.44 N ATOM 451 CA ASN A 30 26.307 12.564 -0.162 1.00 11.22 C ATOM 452 C ASN A 30 24.823 12.267 0.032 1.00 51.14 C ATOM 453 O ASN A 30 24.342 12.168 1.160 1.00 41.01 O ATOM 454 CB ASN A 30 26.959 12.863 1.190 1.00 60.24 C ATOM 455 CG ASN A 30 27.157 11.613 2.025 1.00 61.31 C ATOM 456 OD1 ASN A 30 27.413 10.532 1.494 1.00 62.03 O ATOM 457 ND2 ASN A 30 27.039 11.755 3.340 1.00 72.02 N ATOM 0 H ASN A 30 26.985 13.447 -1.939 1.00 1.44 H new ATOM 0 HA ASN A 30 26.781 11.686 -0.601 1.00 11.22 H new ATOM 0 HB2 ASN A 30 27.923 13.344 1.027 1.00 60.24 H new ATOM 0 HB3 ASN A 30 26.339 13.570 1.741 1.00 60.24 H new ATOM 0 HD21 ASN A 30 27.162 10.949 3.953 1.00 72.02 H new ATOM 0 HD22 ASN A 30 26.826 12.670 3.737 1.00 72.02 H new ATOM 464 N GLU A 31 24.104 12.126 -1.078 1.00 32.35 N ATOM 465 CA GLU A 31 22.675 11.840 -1.029 1.00 54.23 C ATOM 466 C GLU A 31 22.282 10.841 -2.114 1.00 44.54 C ATOM 467 O GLU A 31 22.997 10.670 -3.101 1.00 60.13 O ATOM 468 CB GLU A 31 21.868 13.130 -1.193 1.00 4.34 C ATOM 469 CG GLU A 31 20.560 13.132 -0.420 1.00 2.53 C ATOM 470 CD GLU A 31 20.734 13.573 1.021 1.00 64.51 C ATOM 471 OE1 GLU A 31 21.700 13.117 1.668 1.00 30.14 O ATOM 472 OE2 GLU A 31 19.905 14.373 1.500 1.00 15.24 O ATOM 0 H GLU A 31 24.487 12.205 -2.020 1.00 32.35 H new ATOM 0 HA GLU A 31 22.452 11.401 -0.057 1.00 54.23 H new ATOM 0 HB2 GLU A 31 22.476 13.973 -0.864 1.00 4.34 H new ATOM 0 HB3 GLU A 31 21.655 13.284 -2.251 1.00 4.34 H new ATOM 0 HG2 GLU A 31 19.851 13.795 -0.916 1.00 2.53 H new ATOM 0 HG3 GLU A 31 20.129 12.131 -0.440 1.00 2.53 H new ATOM 479 N GLU A 32 21.142 10.185 -1.922 1.00 42.45 N ATOM 480 CA GLU A 32 20.656 9.203 -2.884 1.00 31.10 C ATOM 481 C GLU A 32 19.375 9.688 -3.557 1.00 44.23 C ATOM 482 O GLU A 32 18.661 10.535 -3.020 1.00 42.11 O ATOM 483 CB GLU A 32 20.405 7.861 -2.193 1.00 13.12 C ATOM 484 CG GLU A 32 21.605 6.930 -2.217 1.00 3.04 C ATOM 485 CD GLU A 32 22.488 7.085 -0.993 1.00 41.15 C ATOM 486 OE1 GLU A 32 22.787 8.239 -0.621 1.00 43.11 O ATOM 487 OE2 GLU A 32 22.880 6.053 -0.409 1.00 51.52 O ATOM 0 H GLU A 32 20.538 10.316 -1.110 1.00 42.45 H new ATOM 0 HA GLU A 32 21.421 9.073 -3.649 1.00 31.10 H new ATOM 0 HB2 GLU A 32 20.118 8.043 -1.157 1.00 13.12 H new ATOM 0 HB3 GLU A 32 19.562 7.366 -2.675 1.00 13.12 H new ATOM 0 HG2 GLU A 32 21.259 5.899 -2.282 1.00 3.04 H new ATOM 0 HG3 GLU A 32 22.194 7.126 -3.113 1.00 3.04 H new ATOM 494 N TYR A 33 19.092 9.146 -4.736 1.00 61.04 N ATOM 495 CA TYR A 33 17.900 9.525 -5.485 1.00 50.13 C ATOM 496 C TYR A 33 17.366 8.346 -6.293 1.00 44.14 C ATOM 497 O TYR A 33 18.101 7.721 -7.059 1.00 70.31 O ATOM 498 CB TYR A 33 18.209 10.698 -6.417 1.00 40.11 C ATOM 499 CG TYR A 33 18.623 11.957 -5.689 1.00 62.10 C ATOM 500 CD1 TYR A 33 17.675 12.876 -5.257 1.00 3.42 C ATOM 501 CD2 TYR A 33 19.962 12.227 -5.434 1.00 51.32 C ATOM 502 CE1 TYR A 33 18.049 14.028 -4.592 1.00 11.32 C ATOM 503 CE2 TYR A 33 20.345 13.376 -4.769 1.00 35.33 C ATOM 504 CZ TYR A 33 19.385 14.273 -4.350 1.00 15.23 C ATOM 505 OH TYR A 33 19.762 15.419 -3.688 1.00 13.13 O ATOM 0 H TYR A 33 19.672 8.443 -5.194 1.00 61.04 H new ATOM 0 HA TYR A 33 17.135 9.829 -4.771 1.00 50.13 H new ATOM 0 HB2 TYR A 33 19.005 10.407 -7.103 1.00 40.11 H new ATOM 0 HB3 TYR A 33 17.328 10.912 -7.023 1.00 40.11 H new ATOM 0 HD1 TYR A 33 16.628 12.687 -5.444 1.00 3.42 H new ATOM 0 HD2 TYR A 33 20.716 11.527 -5.761 1.00 51.32 H new ATOM 0 HE1 TYR A 33 17.300 14.733 -4.263 1.00 11.32 H new ATOM 0 HE2 TYR A 33 21.390 13.570 -4.578 1.00 35.33 H new ATOM 0 HH TYR A 33 19.487 15.360 -2.749 1.00 13.13 H new ATOM 515 N CYS A 34 16.084 8.049 -6.117 1.00 53.13 N ATOM 516 CA CYS A 34 15.450 6.945 -6.829 1.00 52.13 C ATOM 517 C CYS A 34 15.353 7.245 -8.322 1.00 15.14 C ATOM 518 O CYS A 34 14.544 8.070 -8.749 1.00 11.34 O ATOM 519 CB CYS A 34 14.056 6.676 -6.259 1.00 5.20 C ATOM 520 SG CYS A 34 13.106 5.445 -7.181 1.00 63.03 S ATOM 0 H CYS A 34 15.463 8.557 -5.487 1.00 53.13 H new ATOM 0 HA CYS A 34 16.067 6.057 -6.695 1.00 52.13 H new ATOM 0 HB2 CYS A 34 14.156 6.343 -5.226 1.00 5.20 H new ATOM 0 HB3 CYS A 34 13.496 7.611 -6.240 1.00 5.20 H new ATOM 0 HG CYS A 34 11.944 5.285 -6.621 1.00 63.03 H new ATOM 526 N LEU A 35 16.182 6.571 -9.110 1.00 44.43 N ATOM 527 CA LEU A 35 16.192 6.767 -10.556 1.00 34.40 C ATOM 528 C LEU A 35 14.876 6.307 -11.176 1.00 12.42 C ATOM 529 O LEU A 35 14.530 5.126 -11.122 1.00 4.32 O ATOM 530 CB LEU A 35 17.359 6.004 -11.186 1.00 13.31 C ATOM 531 CG LEU A 35 17.920 6.588 -12.483 1.00 54.11 C ATOM 532 CD1 LEU A 35 16.833 6.675 -13.543 1.00 72.43 C ATOM 533 CD2 LEU A 35 18.531 7.959 -12.231 1.00 22.55 C ATOM 0 H LEU A 35 16.856 5.884 -8.773 1.00 44.43 H new ATOM 0 HA LEU A 35 16.314 7.832 -10.753 1.00 34.40 H new ATOM 0 HB2 LEU A 35 18.167 5.949 -10.456 1.00 13.31 H new ATOM 0 HB3 LEU A 35 17.035 4.982 -11.381 1.00 13.31 H new ATOM 0 HG LEU A 35 18.704 5.924 -12.848 1.00 54.11 H new ATOM 0 HD11 LEU A 35 17.251 7.093 -14.459 1.00 72.43 H new ATOM 0 HD12 LEU A 35 16.441 5.678 -13.745 1.00 72.43 H new ATOM 0 HD13 LEU A 35 16.027 7.316 -13.186 1.00 72.43 H new ATOM 0 HD21 LEU A 35 18.925 8.359 -13.165 1.00 22.55 H new ATOM 0 HD22 LEU A 35 17.767 8.632 -11.842 1.00 22.55 H new ATOM 0 HD23 LEU A 35 19.339 7.869 -11.505 1.00 22.55 H new ATOM 545 N LEU A 36 14.146 7.248 -11.766 1.00 61.51 N ATOM 546 CA LEU A 36 12.868 6.940 -12.399 1.00 64.51 C ATOM 547 C LEU A 36 13.033 6.776 -13.907 1.00 21.44 C ATOM 548 O LEU A 36 12.573 5.793 -14.488 1.00 61.22 O ATOM 549 CB LEU A 36 11.851 8.043 -12.103 1.00 31.42 C ATOM 550 CG LEU A 36 11.425 8.188 -10.641 1.00 44.23 C ATOM 551 CD1 LEU A 36 12.073 9.414 -10.016 1.00 41.24 C ATOM 552 CD2 LEU A 36 9.910 8.270 -10.533 1.00 33.33 C ATOM 0 H LEU A 36 14.417 8.230 -11.819 1.00 61.51 H new ATOM 0 HA LEU A 36 12.504 5.999 -11.987 1.00 64.51 H new ATOM 0 HB2 LEU A 36 12.269 8.993 -12.435 1.00 31.42 H new ATOM 0 HB3 LEU A 36 10.960 7.859 -12.704 1.00 31.42 H new ATOM 0 HG LEU A 36 11.761 7.306 -10.095 1.00 44.23 H new ATOM 0 HD11 LEU A 36 11.759 9.501 -8.976 1.00 41.24 H new ATOM 0 HD12 LEU A 36 13.158 9.315 -10.060 1.00 41.24 H new ATOM 0 HD13 LEU A 36 11.768 10.306 -10.563 1.00 41.24 H new ATOM 0 HD21 LEU A 36 9.625 8.373 -9.486 1.00 33.33 H new ATOM 0 HD22 LEU A 36 9.552 9.134 -11.093 1.00 33.33 H new ATOM 0 HD23 LEU A 36 9.466 7.362 -10.942 1.00 33.33 H new ATOM 564 N ASP A 37 13.694 7.743 -14.533 1.00 13.11 N ATOM 565 CA ASP A 37 13.923 7.705 -15.973 1.00 35.33 C ATOM 566 C ASP A 37 15.356 8.107 -16.306 1.00 31.40 C ATOM 567 O ASP A 37 15.866 9.104 -15.795 1.00 62.43 O ATOM 568 CB ASP A 37 12.940 8.630 -16.692 1.00 11.34 C ATOM 569 CG ASP A 37 12.318 7.979 -17.911 1.00 53.02 C ATOM 570 OD1 ASP A 37 12.913 7.016 -18.438 1.00 0.13 O ATOM 571 OD2 ASP A 37 11.236 8.433 -18.340 1.00 32.04 O ATOM 0 H ASP A 37 14.081 8.563 -14.066 1.00 13.11 H new ATOM 0 HA ASP A 37 13.763 6.682 -16.315 1.00 35.33 H new ATOM 0 HB2 ASP A 37 12.152 8.926 -16.000 1.00 11.34 H new ATOM 0 HB3 ASP A 37 13.457 9.541 -16.994 1.00 11.34 H new ATOM 576 N SER A 38 16.000 7.323 -17.165 1.00 3.21 N ATOM 577 CA SER A 38 17.377 7.595 -17.563 1.00 33.54 C ATOM 578 C SER A 38 17.552 7.420 -19.068 1.00 74.21 C ATOM 579 O SER A 38 17.639 6.298 -19.568 1.00 54.30 O ATOM 580 CB SER A 38 18.338 6.668 -16.815 1.00 50.32 C ATOM 581 OG SER A 38 17.683 5.483 -16.398 1.00 61.10 O ATOM 0 H SER A 38 15.591 6.495 -17.598 1.00 3.21 H new ATOM 0 HA SER A 38 17.606 8.629 -17.306 1.00 33.54 H new ATOM 0 HB2 SER A 38 19.179 6.414 -17.460 1.00 50.32 H new ATOM 0 HB3 SER A 38 18.746 7.186 -15.947 1.00 50.32 H new ATOM 0 HG SER A 38 18.319 4.907 -15.924 1.00 61.10 H new ATOM 587 N SER A 39 17.602 8.538 -19.785 1.00 62.34 N ATOM 588 CA SER A 39 17.763 8.510 -21.234 1.00 72.44 C ATOM 589 C SER A 39 19.177 8.921 -21.632 1.00 61.24 C ATOM 590 O SER A 39 19.759 8.362 -22.561 1.00 74.54 O ATOM 591 CB SER A 39 16.744 9.437 -21.900 1.00 32.23 C ATOM 592 OG SER A 39 16.947 10.783 -21.508 1.00 2.23 O ATOM 0 H SER A 39 17.533 9.474 -19.386 1.00 62.34 H new ATOM 0 HA SER A 39 17.591 7.489 -21.574 1.00 72.44 H new ATOM 0 HB2 SER A 39 16.826 9.354 -22.984 1.00 32.23 H new ATOM 0 HB3 SER A 39 15.734 9.125 -21.632 1.00 32.23 H new ATOM 0 HG SER A 39 16.141 11.119 -21.063 1.00 2.23 H new ATOM 598 N GLU A 40 19.723 9.902 -20.922 1.00 4.35 N ATOM 599 CA GLU A 40 21.069 10.389 -21.201 1.00 2.31 C ATOM 600 C GLU A 40 21.492 11.438 -20.176 1.00 51.34 C ATOM 601 O GLU A 40 20.665 11.954 -19.423 1.00 62.14 O ATOM 602 CB GLU A 40 21.139 10.980 -22.611 1.00 2.24 C ATOM 603 CG GLU A 40 22.511 10.859 -23.254 1.00 14.43 C ATOM 604 CD GLU A 40 22.442 10.806 -24.768 1.00 23.14 C ATOM 605 OE1 GLU A 40 21.322 10.884 -25.313 1.00 74.24 O ATOM 606 OE2 GLU A 40 23.508 10.686 -25.406 1.00 65.13 O ATOM 0 H GLU A 40 19.255 10.375 -20.149 1.00 4.35 H new ATOM 0 HA GLU A 40 21.755 9.544 -21.134 1.00 2.31 H new ATOM 0 HB2 GLU A 40 20.405 10.479 -23.243 1.00 2.24 H new ATOM 0 HB3 GLU A 40 20.858 12.032 -22.569 1.00 2.24 H new ATOM 0 HG2 GLU A 40 23.126 11.706 -22.951 1.00 14.43 H new ATOM 0 HG3 GLU A 40 23.003 9.959 -22.885 1.00 14.43 H new ATOM 613 N ILE A 41 22.784 11.748 -20.154 1.00 53.12 N ATOM 614 CA ILE A 41 23.316 12.735 -19.223 1.00 42.22 C ATOM 615 C ILE A 41 22.591 14.070 -19.363 1.00 24.52 C ATOM 616 O ILE A 41 22.615 14.900 -18.453 1.00 64.54 O ATOM 617 CB ILE A 41 24.825 12.958 -19.441 1.00 34.24 C ATOM 618 CG1 ILE A 41 25.353 14.011 -18.464 1.00 54.15 C ATOM 619 CG2 ILE A 41 25.097 13.376 -20.878 1.00 15.12 C ATOM 620 CD1 ILE A 41 26.860 14.137 -18.468 1.00 61.24 C ATOM 0 H ILE A 41 23.481 11.330 -20.770 1.00 53.12 H new ATOM 0 HA ILE A 41 23.156 12.341 -18.219 1.00 42.22 H new ATOM 0 HB ILE A 41 25.347 12.020 -19.252 1.00 34.24 H new ATOM 0 HG12 ILE A 41 24.915 14.978 -18.713 1.00 54.15 H new ATOM 0 HG13 ILE A 41 25.020 13.760 -17.457 1.00 54.15 H new ATOM 0 HG21 ILE A 41 26.167 13.530 -21.016 1.00 15.12 H new ATOM 0 HG22 ILE A 41 24.752 12.595 -21.556 1.00 15.12 H new ATOM 0 HG23 ILE A 41 24.567 14.303 -21.094 1.00 15.12 H new ATOM 0 HD11 ILE A 41 27.163 14.901 -17.752 1.00 61.24 H new ATOM 0 HD12 ILE A 41 27.306 13.182 -18.190 1.00 61.24 H new ATOM 0 HD13 ILE A 41 27.199 14.419 -19.465 1.00 61.24 H new ATOM 632 N HIS A 42 21.945 14.269 -20.507 1.00 44.03 N ATOM 633 CA HIS A 42 21.211 15.502 -20.766 1.00 13.35 C ATOM 634 C HIS A 42 20.196 15.772 -19.658 1.00 41.24 C ATOM 635 O HIS A 42 20.110 16.886 -19.141 1.00 75.11 O ATOM 636 CB HIS A 42 20.500 15.424 -22.117 1.00 34.22 C ATOM 637 CG HIS A 42 21.404 15.042 -23.248 1.00 51.42 C ATOM 638 ND1 HIS A 42 22.763 15.273 -23.235 1.00 64.54 N ATOM 639 CD2 HIS A 42 21.137 14.442 -24.431 1.00 74.24 C ATOM 640 CE1 HIS A 42 23.293 14.831 -24.362 1.00 40.55 C ATOM 641 NE2 HIS A 42 22.327 14.322 -25.105 1.00 50.25 N ATOM 0 H HIS A 42 21.915 13.592 -21.270 1.00 44.03 H new ATOM 0 HA HIS A 42 21.927 16.324 -20.788 1.00 13.35 H new ATOM 0 HB2 HIS A 42 19.689 14.699 -22.050 1.00 34.22 H new ATOM 0 HB3 HIS A 42 20.046 16.391 -22.336 1.00 34.22 H new ATOM 0 HD2 HIS A 42 20.168 14.118 -24.780 1.00 74.24 H new ATOM 0 HE1 HIS A 42 24.338 14.878 -24.630 1.00 40.55 H new ATOM 0 HE2 HIS A 42 22.446 13.907 -26.029 1.00 50.25 H new ATOM 649 N TRP A 43 19.431 14.747 -19.301 1.00 42.12 N ATOM 650 CA TRP A 43 18.422 14.875 -18.256 1.00 31.50 C ATOM 651 C TRP A 43 18.113 13.519 -17.629 1.00 41.33 C ATOM 652 O TRP A 43 17.810 12.555 -18.332 1.00 51.21 O ATOM 653 CB TRP A 43 17.143 15.490 -18.826 1.00 11.12 C ATOM 654 CG TRP A 43 16.489 14.639 -19.872 1.00 31.02 C ATOM 655 CD1 TRP A 43 16.650 14.735 -21.225 1.00 33.34 C ATOM 656 CD2 TRP A 43 15.569 13.564 -19.650 1.00 40.41 C ATOM 657 NE1 TRP A 43 15.885 13.784 -21.857 1.00 41.33 N ATOM 658 CE2 TRP A 43 15.213 13.053 -20.914 1.00 5.14 C ATOM 659 CE3 TRP A 43 15.013 12.983 -18.508 1.00 12.15 C ATOM 660 CZ2 TRP A 43 14.327 11.990 -21.063 1.00 53.24 C ATOM 661 CZ3 TRP A 43 14.133 11.929 -18.658 1.00 33.51 C ATOM 662 CH2 TRP A 43 13.797 11.440 -19.928 1.00 1.22 C ATOM 0 H TRP A 43 19.490 13.819 -19.719 1.00 42.12 H new ATOM 0 HA TRP A 43 18.818 15.531 -17.481 1.00 31.50 H new ATOM 0 HB2 TRP A 43 16.437 15.661 -18.013 1.00 11.12 H new ATOM 0 HB3 TRP A 43 17.377 16.464 -19.255 1.00 11.12 H new ATOM 0 HD1 TRP A 43 17.285 15.452 -21.724 1.00 33.34 H new ATOM 0 HE1 TRP A 43 15.827 13.645 -22.866 1.00 41.33 H new ATOM 0 HE3 TRP A 43 15.267 13.351 -17.525 1.00 12.15 H new ATOM 0 HZ2 TRP A 43 14.067 11.612 -22.041 1.00 53.24 H new ATOM 0 HZ3 TRP A 43 13.696 11.474 -17.781 1.00 33.51 H new ATOM 0 HH2 TRP A 43 13.107 10.614 -20.012 1.00 1.22 H new ATOM 673 N TRP A 44 18.192 13.453 -16.305 1.00 51.13 N ATOM 674 CA TRP A 44 17.920 12.215 -15.585 1.00 21.53 C ATOM 675 C TRP A 44 16.799 12.410 -14.570 1.00 71.21 C ATOM 676 O TRP A 44 16.928 13.198 -13.633 1.00 54.13 O ATOM 677 CB TRP A 44 19.185 11.724 -14.878 1.00 34.32 C ATOM 678 CG TRP A 44 19.951 10.708 -15.669 1.00 64.04 C ATOM 679 CD1 TRP A 44 19.949 10.554 -17.026 1.00 53.14 C ATOM 680 CD2 TRP A 44 20.831 9.704 -15.152 1.00 4.34 C ATOM 681 NE1 TRP A 44 20.774 9.515 -17.383 1.00 40.24 N ATOM 682 CE2 TRP A 44 21.328 8.978 -16.252 1.00 1.03 C ATOM 683 CE3 TRP A 44 21.250 9.350 -13.866 1.00 71.23 C ATOM 684 CZ2 TRP A 44 22.220 7.919 -16.103 1.00 13.13 C ATOM 685 CZ3 TRP A 44 22.135 8.298 -13.720 1.00 54.42 C ATOM 686 CH2 TRP A 44 22.612 7.593 -14.833 1.00 4.50 C ATOM 0 H TRP A 44 18.442 14.242 -15.709 1.00 51.13 H new ATOM 0 HA TRP A 44 17.602 11.465 -16.309 1.00 21.53 H new ATOM 0 HB2 TRP A 44 19.832 12.577 -14.672 1.00 34.32 H new ATOM 0 HB3 TRP A 44 18.910 11.293 -13.915 1.00 34.32 H new ATOM 0 HD1 TRP A 44 19.382 11.160 -17.717 1.00 53.14 H new ATOM 0 HE1 TRP A 44 20.946 9.195 -18.336 1.00 40.24 H new ATOM 0 HE3 TRP A 44 20.889 9.889 -13.002 1.00 71.23 H new ATOM 0 HZ2 TRP A 44 22.589 7.374 -16.959 1.00 13.13 H new ATOM 0 HZ3 TRP A 44 22.464 8.015 -12.731 1.00 54.42 H new ATOM 0 HH2 TRP A 44 23.303 6.776 -14.686 1.00 4.50 H new ATOM 697 N ARG A 45 15.700 11.687 -14.762 1.00 41.45 N ATOM 698 CA ARG A 45 14.556 11.783 -13.864 1.00 20.21 C ATOM 699 C ARG A 45 14.784 10.954 -12.603 1.00 44.11 C ATOM 700 O ARG A 45 14.870 9.727 -12.661 1.00 14.32 O ATOM 701 CB ARG A 45 13.284 11.314 -14.572 1.00 32.40 C ATOM 702 CG ARG A 45 12.302 12.436 -14.868 1.00 21.34 C ATOM 703 CD ARG A 45 10.871 11.924 -14.921 1.00 40.22 C ATOM 704 NE ARG A 45 10.591 11.211 -16.165 1.00 12.43 N ATOM 705 CZ ARG A 45 9.366 11.013 -16.638 1.00 15.10 C ATOM 706 NH1 ARG A 45 8.313 11.472 -15.975 1.00 71.21 N ATOM 707 NH2 ARG A 45 9.191 10.355 -17.777 1.00 24.10 N ATOM 0 H ARG A 45 15.578 11.029 -15.531 1.00 41.45 H new ATOM 0 HA ARG A 45 14.439 12.828 -13.576 1.00 20.21 H new ATOM 0 HB2 ARG A 45 13.558 10.826 -15.508 1.00 32.40 H new ATOM 0 HB3 ARG A 45 12.790 10.564 -13.954 1.00 32.40 H new ATOM 0 HG2 ARG A 45 12.386 13.206 -14.101 1.00 21.34 H new ATOM 0 HG3 ARG A 45 12.558 12.904 -15.819 1.00 21.34 H new ATOM 0 HD2 ARG A 45 10.692 11.261 -14.075 1.00 40.22 H new ATOM 0 HD3 ARG A 45 10.182 12.763 -14.821 1.00 40.22 H new ATOM 0 HE ARG A 45 11.379 10.845 -16.699 1.00 12.43 H new ATOM 0 HH11 ARG A 45 8.443 11.979 -15.099 1.00 71.21 H new ATOM 0 HH12 ARG A 45 7.373 11.318 -16.341 1.00 71.21 H new ATOM 0 HH21 ARG A 45 9.998 10.001 -18.290 1.00 24.10 H new ATOM 0 HH22 ARG A 45 8.250 10.204 -18.139 1.00 24.10 H new ATOM 721 N VAL A 46 14.883 11.633 -11.465 1.00 3.24 N ATOM 722 CA VAL A 46 15.101 10.960 -10.190 1.00 2.34 C ATOM 723 C VAL A 46 14.175 11.512 -9.112 1.00 31.12 C ATOM 724 O VAL A 46 13.605 12.592 -9.264 1.00 11.05 O ATOM 725 CB VAL A 46 16.561 11.106 -9.720 1.00 50.24 C ATOM 726 CG1 VAL A 46 17.519 10.624 -10.799 1.00 4.03 C ATOM 727 CG2 VAL A 46 16.856 12.549 -9.340 1.00 1.14 C ATOM 0 H VAL A 46 14.816 12.649 -11.400 1.00 3.24 H new ATOM 0 HA VAL A 46 14.882 9.904 -10.348 1.00 2.34 H new ATOM 0 HB VAL A 46 16.704 10.485 -8.836 1.00 50.24 H new ATOM 0 HG11 VAL A 46 18.546 10.734 -10.450 1.00 4.03 H new ATOM 0 HG12 VAL A 46 17.321 9.575 -11.019 1.00 4.03 H new ATOM 0 HG13 VAL A 46 17.377 11.217 -11.703 1.00 4.03 H new ATOM 0 HG21 VAL A 46 17.891 12.634 -9.010 1.00 1.14 H new ATOM 0 HG22 VAL A 46 16.696 13.193 -10.205 1.00 1.14 H new ATOM 0 HG23 VAL A 46 16.192 12.856 -8.532 1.00 1.14 H new ATOM 737 N GLN A 47 14.030 10.763 -8.023 1.00 63.25 N ATOM 738 CA GLN A 47 13.172 11.177 -6.920 1.00 4.43 C ATOM 739 C GLN A 47 13.960 11.249 -5.616 1.00 12.15 C ATOM 740 O GLN A 47 14.846 10.431 -5.368 1.00 34.30 O ATOM 741 CB GLN A 47 11.998 10.210 -6.768 1.00 32.54 C ATOM 742 CG GLN A 47 11.110 10.513 -5.571 1.00 44.02 C ATOM 743 CD GLN A 47 10.085 9.426 -5.314 1.00 40.35 C ATOM 744 OE1 GLN A 47 9.877 9.010 -4.175 1.00 22.34 O ATOM 745 NE2 GLN A 47 9.437 8.961 -6.376 1.00 21.21 N ATOM 0 H GLN A 47 14.496 9.867 -7.882 1.00 63.25 H new ATOM 0 HA GLN A 47 12.786 12.171 -7.146 1.00 4.43 H new ATOM 0 HB2 GLN A 47 11.394 10.240 -7.675 1.00 32.54 H new ATOM 0 HB3 GLN A 47 12.384 9.195 -6.676 1.00 32.54 H new ATOM 0 HG2 GLN A 47 11.732 10.637 -4.684 1.00 44.02 H new ATOM 0 HG3 GLN A 47 10.596 11.460 -5.735 1.00 44.02 H new ATOM 0 HE21 GLN A 47 9.642 9.335 -7.303 1.00 21.21 H new ATOM 0 HE22 GLN A 47 8.735 8.230 -6.265 1.00 21.21 H new ATOM 754 N ASP A 48 13.631 12.233 -4.785 1.00 64.15 N ATOM 755 CA ASP A 48 14.308 12.411 -3.506 1.00 15.23 C ATOM 756 C ASP A 48 13.765 11.438 -2.464 1.00 60.52 C ATOM 757 O ASP A 48 13.011 10.521 -2.791 1.00 31.24 O ATOM 758 CB ASP A 48 14.141 13.850 -3.013 1.00 22.52 C ATOM 759 CG ASP A 48 14.470 14.870 -4.084 1.00 51.44 C ATOM 760 OD1 ASP A 48 15.153 14.504 -5.063 1.00 70.51 O ATOM 761 OD2 ASP A 48 14.045 16.036 -3.944 1.00 11.52 O ATOM 0 H ASP A 48 12.900 12.919 -4.975 1.00 64.15 H new ATOM 0 HA ASP A 48 15.368 12.205 -3.652 1.00 15.23 H new ATOM 0 HB2 ASP A 48 13.115 13.999 -2.676 1.00 22.52 H new ATOM 0 HB3 ASP A 48 14.786 14.013 -2.150 1.00 22.52 H new ATOM 766 N ARG A 49 14.155 11.642 -1.210 1.00 52.53 N ATOM 767 CA ARG A 49 13.709 10.781 -0.121 1.00 45.44 C ATOM 768 C ARG A 49 12.490 11.376 0.578 1.00 25.20 C ATOM 769 O ARG A 49 12.169 11.006 1.706 1.00 15.23 O ATOM 770 CB ARG A 49 14.840 10.575 0.889 1.00 72.44 C ATOM 771 CG ARG A 49 15.280 11.854 1.580 1.00 3.32 C ATOM 772 CD ARG A 49 16.660 12.293 1.114 1.00 13.11 C ATOM 773 NE ARG A 49 17.725 11.559 1.791 1.00 63.31 N ATOM 774 CZ ARG A 49 18.134 11.829 3.026 1.00 63.44 C ATOM 775 NH1 ARG A 49 17.569 12.810 3.715 1.00 44.21 N ATOM 776 NH2 ARG A 49 19.110 11.115 3.573 1.00 0.43 N ATOM 0 H ARG A 49 14.779 12.396 -0.923 1.00 52.53 H new ATOM 0 HA ARG A 49 13.428 9.817 -0.544 1.00 45.44 H new ATOM 0 HB2 ARG A 49 14.516 9.858 1.643 1.00 72.44 H new ATOM 0 HB3 ARG A 49 15.696 10.135 0.378 1.00 72.44 H new ATOM 0 HG2 ARG A 49 14.558 12.645 1.378 1.00 3.32 H new ATOM 0 HG3 ARG A 49 15.291 11.701 2.659 1.00 3.32 H new ATOM 0 HD2 ARG A 49 16.744 12.143 0.038 1.00 13.11 H new ATOM 0 HD3 ARG A 49 16.782 13.360 1.298 1.00 13.11 H new ATOM 0 HE ARG A 49 18.180 10.797 1.288 1.00 63.31 H new ATOM 0 HH11 ARG A 49 16.818 13.360 3.297 1.00 44.21 H new ATOM 0 HH12 ARG A 49 17.885 13.015 4.663 1.00 44.21 H new ATOM 0 HH21 ARG A 49 19.546 10.359 3.045 1.00 0.43 H new ATOM 0 HH22 ARG A 49 19.424 11.322 4.521 1.00 0.43 H new ATOM 790 N ASN A 50 11.817 12.299 -0.101 1.00 1.25 N ATOM 791 CA ASN A 50 10.634 12.946 0.456 1.00 23.21 C ATOM 792 C ASN A 50 9.398 12.632 -0.381 1.00 41.12 C ATOM 793 O ASN A 50 8.274 12.659 0.118 1.00 21.32 O ATOM 794 CB ASN A 50 10.843 14.460 0.531 1.00 73.31 C ATOM 795 CG ASN A 50 12.138 14.831 1.226 1.00 1.42 C ATOM 796 OD1 ASN A 50 12.144 15.176 2.408 1.00 25.22 O ATOM 797 ND2 ASN A 50 13.243 14.763 0.493 1.00 4.44 N ATOM 0 H ASN A 50 12.070 12.616 -1.037 1.00 1.25 H new ATOM 0 HA ASN A 50 10.477 12.558 1.462 1.00 23.21 H new ATOM 0 HB2 ASN A 50 10.843 14.874 -0.477 1.00 73.31 H new ATOM 0 HB3 ASN A 50 10.006 14.914 1.062 1.00 73.31 H new ATOM 0 HD21 ASN A 50 14.145 15.002 0.906 1.00 4.44 H new ATOM 0 HD22 ASN A 50 13.190 14.472 -0.483 1.00 4.44 H new ATOM 804 N GLY A 51 9.615 12.334 -1.659 1.00 1.12 N ATOM 805 CA GLY A 51 8.510 12.019 -2.545 1.00 60.01 C ATOM 806 C GLY A 51 8.386 13.005 -3.690 1.00 33.22 C ATOM 807 O GLY A 51 7.296 13.212 -4.224 1.00 51.53 O ATOM 0 H GLY A 51 10.536 12.305 -2.096 1.00 1.12 H new ATOM 0 HA2 GLY A 51 8.646 11.015 -2.947 1.00 60.01 H new ATOM 0 HA3 GLY A 51 7.581 12.011 -1.974 1.00 60.01 H new ATOM 811 N HIS A 52 9.504 13.616 -4.067 1.00 24.31 N ATOM 812 CA HIS A 52 9.516 14.587 -5.155 1.00 72.55 C ATOM 813 C HIS A 52 10.426 14.122 -6.289 1.00 33.35 C ATOM 814 O HIS A 52 11.593 13.802 -6.067 1.00 41.13 O ATOM 815 CB HIS A 52 9.975 15.952 -4.644 1.00 44.22 C ATOM 816 CG HIS A 52 9.274 16.391 -3.396 1.00 1.42 C ATOM 817 ND1 HIS A 52 9.886 16.424 -2.161 1.00 30.25 N ATOM 818 CD2 HIS A 52 8.006 16.820 -3.197 1.00 75.30 C ATOM 819 CE1 HIS A 52 9.024 16.851 -1.256 1.00 13.24 C ATOM 820 NE2 HIS A 52 7.875 17.099 -1.859 1.00 20.12 N ATOM 0 H HIS A 52 10.414 13.456 -3.635 1.00 24.31 H new ATOM 0 HA HIS A 52 8.500 14.675 -5.541 1.00 72.55 H new ATOM 0 HB2 HIS A 52 11.048 15.918 -4.455 1.00 44.22 H new ATOM 0 HB3 HIS A 52 9.812 16.696 -5.423 1.00 44.22 H new ATOM 0 HD2 HIS A 52 7.239 16.924 -3.951 1.00 75.30 H new ATOM 0 HE1 HIS A 52 9.224 16.976 -0.202 1.00 13.24 H new ATOM 0 HE2 HIS A 52 7.029 17.442 -1.405 1.00 20.12 H new ATOM 828 N GLU A 53 9.882 14.086 -7.501 1.00 40.42 N ATOM 829 CA GLU A 53 10.645 13.659 -8.668 1.00 24.13 C ATOM 830 C GLU A 53 10.935 14.839 -9.591 1.00 1.13 C ATOM 831 O GLU A 53 10.077 15.691 -9.815 1.00 14.44 O ATOM 832 CB GLU A 53 9.885 12.574 -9.433 1.00 22.43 C ATOM 833 CG GLU A 53 9.272 11.512 -8.535 1.00 11.22 C ATOM 834 CD GLU A 53 7.810 11.777 -8.233 1.00 13.41 C ATOM 835 OE1 GLU A 53 7.346 12.907 -8.496 1.00 33.32 O ATOM 836 OE2 GLU A 53 7.130 10.857 -7.734 1.00 31.42 O ATOM 0 H GLU A 53 8.916 14.347 -7.701 1.00 40.42 H new ATOM 0 HA GLU A 53 11.594 13.251 -8.320 1.00 24.13 H new ATOM 0 HB2 GLU A 53 9.095 13.041 -10.020 1.00 22.43 H new ATOM 0 HB3 GLU A 53 10.565 12.094 -10.137 1.00 22.43 H new ATOM 0 HG2 GLU A 53 9.370 10.537 -9.013 1.00 11.22 H new ATOM 0 HG3 GLU A 53 9.830 11.466 -7.600 1.00 11.22 H new ATOM 843 N GLY A 54 12.153 14.881 -10.124 1.00 14.33 N ATOM 844 CA GLY A 54 12.535 15.960 -11.015 1.00 51.54 C ATOM 845 C GLY A 54 13.663 15.569 -11.950 1.00 35.34 C ATOM 846 O GLY A 54 14.086 14.413 -11.972 1.00 70.22 O ATOM 0 H GLY A 54 12.881 14.187 -9.954 1.00 14.33 H new ATOM 0 HA2 GLY A 54 11.669 16.265 -11.603 1.00 51.54 H new ATOM 0 HA3 GLY A 54 12.840 16.824 -10.424 1.00 51.54 H new ATOM 850 N TYR A 55 14.149 16.532 -12.724 1.00 0.34 N ATOM 851 CA TYR A 55 15.232 16.281 -13.667 1.00 53.14 C ATOM 852 C TYR A 55 16.566 16.762 -13.106 1.00 24.40 C ATOM 853 O TYR A 55 16.648 17.825 -12.491 1.00 41.13 O ATOM 854 CB TYR A 55 14.946 16.976 -15.000 1.00 3.22 C ATOM 855 CG TYR A 55 13.723 16.443 -15.711 1.00 11.52 C ATOM 856 CD1 TYR A 55 12.448 16.865 -15.353 1.00 4.55 C ATOM 857 CD2 TYR A 55 13.841 15.518 -16.740 1.00 20.30 C ATOM 858 CE1 TYR A 55 11.328 16.381 -15.999 1.00 15.12 C ATOM 859 CE2 TYR A 55 12.726 15.029 -17.393 1.00 11.03 C ATOM 860 CZ TYR A 55 11.472 15.464 -17.018 1.00 75.54 C ATOM 861 OH TYR A 55 10.358 14.978 -17.665 1.00 41.13 O ATOM 0 H TYR A 55 13.810 17.494 -12.717 1.00 0.34 H new ATOM 0 HA TYR A 55 15.295 15.205 -13.831 1.00 53.14 H new ATOM 0 HB2 TYR A 55 14.816 18.044 -14.823 1.00 3.22 H new ATOM 0 HB3 TYR A 55 15.812 16.864 -15.652 1.00 3.22 H new ATOM 0 HD1 TYR A 55 12.331 17.584 -14.556 1.00 4.55 H new ATOM 0 HD2 TYR A 55 14.822 15.175 -17.035 1.00 20.30 H new ATOM 0 HE1 TYR A 55 10.345 16.719 -15.708 1.00 15.12 H new ATOM 0 HE2 TYR A 55 12.836 14.311 -18.192 1.00 11.03 H new ATOM 0 HH TYR A 55 10.634 14.342 -18.358 1.00 41.13 H new ATOM 871 N VAL A 56 17.612 15.969 -13.323 1.00 14.44 N ATOM 872 CA VAL A 56 18.944 16.313 -12.841 1.00 21.03 C ATOM 873 C VAL A 56 20.023 15.736 -13.750 1.00 41.23 C ATOM 874 O VAL A 56 19.814 14.748 -14.454 1.00 54.23 O ATOM 875 CB VAL A 56 19.171 15.802 -11.405 1.00 71.15 C ATOM 876 CG1 VAL A 56 18.444 16.685 -10.403 1.00 3.31 C ATOM 877 CG2 VAL A 56 18.720 14.355 -11.278 1.00 61.43 C ATOM 0 H VAL A 56 17.562 15.085 -13.829 1.00 14.44 H new ATOM 0 HA VAL A 56 19.011 17.401 -12.847 1.00 21.03 H new ATOM 0 HB VAL A 56 20.238 15.847 -11.186 1.00 71.15 H new ATOM 0 HG11 VAL A 56 18.616 16.309 -9.395 1.00 3.31 H new ATOM 0 HG12 VAL A 56 18.819 17.706 -10.478 1.00 3.31 H new ATOM 0 HG13 VAL A 56 17.375 16.674 -10.617 1.00 3.31 H new ATOM 0 HG21 VAL A 56 18.887 14.010 -10.258 1.00 61.43 H new ATOM 0 HG22 VAL A 56 17.659 14.282 -11.516 1.00 61.43 H new ATOM 0 HG23 VAL A 56 19.290 13.734 -11.969 1.00 61.43 H new ATOM 887 N PRO A 57 21.207 16.366 -13.737 1.00 2.23 N ATOM 888 CA PRO A 57 22.344 15.932 -14.554 1.00 40.43 C ATOM 889 C PRO A 57 22.932 14.610 -14.075 1.00 33.43 C ATOM 890 O PRO A 57 23.208 14.436 -12.888 1.00 2.43 O ATOM 891 CB PRO A 57 23.360 17.064 -14.378 1.00 73.02 C ATOM 892 CG PRO A 57 23.019 17.678 -13.064 1.00 61.22 C ATOM 893 CD PRO A 57 21.528 17.550 -12.922 1.00 14.12 C ATOM 0 HA PRO A 57 22.057 15.756 -15.590 1.00 40.43 H new ATOM 0 HB2 PRO A 57 24.381 16.684 -14.384 1.00 73.02 H new ATOM 0 HB3 PRO A 57 23.286 17.792 -15.186 1.00 73.02 H new ATOM 0 HG2 PRO A 57 23.534 17.168 -12.250 1.00 61.22 H new ATOM 0 HG3 PRO A 57 23.326 18.723 -13.030 1.00 61.22 H new ATOM 0 HD2 PRO A 57 21.234 17.413 -11.881 1.00 14.12 H new ATOM 0 HD3 PRO A 57 21.012 18.439 -13.285 1.00 14.12 H new ATOM 901 N SER A 58 23.121 13.679 -15.005 1.00 14.30 N ATOM 902 CA SER A 58 23.673 12.370 -14.676 1.00 53.31 C ATOM 903 C SER A 58 25.160 12.474 -14.354 1.00 23.34 C ATOM 904 O SER A 58 25.698 11.673 -13.588 1.00 51.42 O ATOM 905 CB SER A 58 23.457 11.396 -15.836 1.00 1.30 C ATOM 906 OG SER A 58 24.574 11.387 -16.708 1.00 71.13 O ATOM 0 H SER A 58 22.900 13.807 -15.992 1.00 14.30 H new ATOM 0 HA SER A 58 23.153 11.994 -13.794 1.00 53.31 H new ATOM 0 HB2 SER A 58 23.288 10.392 -15.446 1.00 1.30 H new ATOM 0 HB3 SER A 58 22.561 11.678 -16.390 1.00 1.30 H new ATOM 0 HG SER A 58 24.412 10.756 -17.440 1.00 71.13 H new ATOM 912 N SER A 59 25.820 13.465 -14.944 1.00 12.53 N ATOM 913 CA SER A 59 27.246 13.673 -14.723 1.00 63.53 C ATOM 914 C SER A 59 27.546 13.851 -13.238 1.00 62.40 C ATOM 915 O SER A 59 28.669 13.620 -12.788 1.00 33.32 O ATOM 916 CB SER A 59 27.732 14.896 -15.504 1.00 22.55 C ATOM 917 OG SER A 59 28.806 14.558 -16.365 1.00 32.45 O ATOM 0 H SER A 59 25.390 14.137 -15.579 1.00 12.53 H new ATOM 0 HA SER A 59 27.776 12.790 -15.079 1.00 63.53 H new ATOM 0 HB2 SER A 59 26.910 15.309 -16.088 1.00 22.55 H new ATOM 0 HB3 SER A 59 28.050 15.673 -14.808 1.00 22.55 H new ATOM 0 HG SER A 59 29.097 15.356 -16.854 1.00 32.45 H new ATOM 923 N TYR A 60 26.535 14.263 -12.482 1.00 73.12 N ATOM 924 CA TYR A 60 26.689 14.475 -11.048 1.00 22.11 C ATOM 925 C TYR A 60 25.966 13.390 -10.256 1.00 11.02 C ATOM 926 O TYR A 60 25.661 13.565 -9.075 1.00 40.23 O ATOM 927 CB TYR A 60 26.153 15.852 -10.654 1.00 44.41 C ATOM 928 CG TYR A 60 26.856 16.997 -11.349 1.00 23.22 C ATOM 929 CD1 TYR A 60 26.670 17.232 -12.705 1.00 71.24 C ATOM 930 CD2 TYR A 60 27.706 17.844 -10.648 1.00 22.31 C ATOM 931 CE1 TYR A 60 27.311 18.276 -13.344 1.00 73.31 C ATOM 932 CE2 TYR A 60 28.350 18.891 -11.278 1.00 40.01 C ATOM 933 CZ TYR A 60 28.149 19.103 -12.626 1.00 65.43 C ATOM 934 OH TYR A 60 28.789 20.144 -13.259 1.00 14.44 O ATOM 0 H TYR A 60 25.599 14.457 -12.839 1.00 73.12 H new ATOM 0 HA TYR A 60 27.752 14.425 -10.812 1.00 22.11 H new ATOM 0 HB2 TYR A 60 25.088 15.897 -10.883 1.00 44.41 H new ATOM 0 HB3 TYR A 60 26.252 15.976 -9.576 1.00 44.41 H new ATOM 0 HD1 TYR A 60 26.013 16.587 -13.270 1.00 71.24 H new ATOM 0 HD2 TYR A 60 27.866 17.681 -9.592 1.00 22.31 H new ATOM 0 HE1 TYR A 60 27.157 18.443 -14.400 1.00 73.31 H new ATOM 0 HE2 TYR A 60 29.007 19.540 -10.718 1.00 40.01 H new ATOM 0 HH TYR A 60 29.341 20.630 -12.612 1.00 14.44 H new ATOM 944 N LEU A 61 25.695 12.268 -10.914 1.00 13.25 N ATOM 945 CA LEU A 61 25.008 11.152 -10.272 1.00 53.43 C ATOM 946 C LEU A 61 25.678 9.827 -10.621 1.00 3.44 C ATOM 947 O LEU A 61 25.991 9.564 -11.782 1.00 12.11 O ATOM 948 CB LEU A 61 23.538 11.121 -10.697 1.00 24.42 C ATOM 949 CG LEU A 61 22.608 12.092 -9.969 1.00 63.02 C ATOM 950 CD1 LEU A 61 21.284 12.216 -10.706 1.00 40.45 C ATOM 951 CD2 LEU A 61 22.382 11.639 -8.534 1.00 55.42 C ATOM 0 H LEU A 61 25.940 12.107 -11.891 1.00 13.25 H new ATOM 0 HA LEU A 61 25.065 11.294 -9.193 1.00 53.43 H new ATOM 0 HB2 LEU A 61 23.485 11.331 -11.765 1.00 24.42 H new ATOM 0 HB3 LEU A 61 23.160 10.109 -10.552 1.00 24.42 H new ATOM 0 HG LEU A 61 23.082 13.073 -9.948 1.00 63.02 H new ATOM 0 HD11 LEU A 61 20.635 12.911 -10.173 1.00 40.45 H new ATOM 0 HD12 LEU A 61 21.463 12.587 -11.715 1.00 40.45 H new ATOM 0 HD13 LEU A 61 20.804 11.239 -10.758 1.00 40.45 H new ATOM 0 HD21 LEU A 61 21.718 12.342 -8.031 1.00 55.42 H new ATOM 0 HD22 LEU A 61 21.929 10.647 -8.532 1.00 55.42 H new ATOM 0 HD23 LEU A 61 23.337 11.603 -8.009 1.00 55.42 H new ATOM 963 N VAL A 62 25.895 8.995 -9.607 1.00 52.10 N ATOM 964 CA VAL A 62 26.525 7.696 -9.806 1.00 61.52 C ATOM 965 C VAL A 62 25.559 6.561 -9.483 1.00 4.13 C ATOM 966 O VAL A 62 24.844 6.609 -8.483 1.00 74.10 O ATOM 967 CB VAL A 62 27.787 7.545 -8.936 1.00 61.42 C ATOM 968 CG1 VAL A 62 27.411 7.399 -7.470 1.00 14.04 C ATOM 969 CG2 VAL A 62 28.616 6.358 -9.403 1.00 24.44 C ATOM 0 H VAL A 62 25.644 9.198 -8.640 1.00 52.10 H new ATOM 0 HA VAL A 62 26.809 7.640 -10.857 1.00 61.52 H new ATOM 0 HB VAL A 62 28.391 8.446 -9.043 1.00 61.42 H new ATOM 0 HG11 VAL A 62 28.316 7.293 -6.871 1.00 14.04 H new ATOM 0 HG12 VAL A 62 26.862 8.283 -7.145 1.00 14.04 H new ATOM 0 HG13 VAL A 62 26.785 6.516 -7.341 1.00 14.04 H new ATOM 0 HG21 VAL A 62 29.504 6.266 -8.778 1.00 24.44 H new ATOM 0 HG22 VAL A 62 28.022 5.447 -9.327 1.00 24.44 H new ATOM 0 HG23 VAL A 62 28.917 6.510 -10.440 1.00 24.44 H new ATOM 979 N GLU A 63 25.546 5.541 -10.335 1.00 51.35 N ATOM 980 CA GLU A 63 24.667 4.394 -10.140 1.00 2.33 C ATOM 981 C GLU A 63 25.023 3.650 -8.856 1.00 75.50 C ATOM 982 O GLU A 63 26.100 3.064 -8.742 1.00 14.01 O ATOM 983 CB GLU A 63 24.758 3.444 -11.335 1.00 63.05 C ATOM 984 CG GLU A 63 23.490 3.394 -12.171 1.00 44.34 C ATOM 985 CD GLU A 63 23.630 4.133 -13.488 1.00 44.41 C ATOM 986 OE1 GLU A 63 24.512 5.013 -13.583 1.00 12.20 O ATOM 987 OE2 GLU A 63 22.859 3.833 -14.423 1.00 22.41 O ATOM 0 H GLU A 63 26.134 5.485 -11.167 1.00 51.35 H new ATOM 0 HA GLU A 63 23.644 4.762 -10.056 1.00 2.33 H new ATOM 0 HB2 GLU A 63 25.590 3.751 -11.970 1.00 63.05 H new ATOM 0 HB3 GLU A 63 24.985 2.441 -10.974 1.00 63.05 H new ATOM 0 HG2 GLU A 63 23.230 2.354 -12.368 1.00 44.34 H new ATOM 0 HG3 GLU A 63 22.667 3.826 -11.602 1.00 44.34 H new ATOM 994 N LYS A 64 24.109 3.677 -7.891 1.00 64.32 N ATOM 995 CA LYS A 64 24.324 3.005 -6.615 1.00 74.32 C ATOM 996 C LYS A 64 24.128 1.498 -6.754 1.00 1.30 C ATOM 997 O LYS A 64 23.003 1.002 -6.708 1.00 14.04 O ATOM 998 CB LYS A 64 23.367 3.558 -5.557 1.00 11.42 C ATOM 999 CG LYS A 64 23.691 3.102 -4.145 1.00 64.40 C ATOM 1000 CD LYS A 64 22.914 1.851 -3.771 1.00 15.11 C ATOM 1001 CE LYS A 64 23.128 1.477 -2.312 1.00 64.44 C ATOM 1002 NZ LYS A 64 24.302 0.577 -2.138 1.00 22.11 N ATOM 0 H LYS A 64 23.212 4.157 -7.969 1.00 64.32 H new ATOM 0 HA LYS A 64 25.351 3.193 -6.302 1.00 74.32 H new ATOM 0 HB2 LYS A 64 23.390 4.647 -5.592 1.00 11.42 H new ATOM 0 HB3 LYS A 64 22.350 3.253 -5.804 1.00 11.42 H new ATOM 0 HG2 LYS A 64 24.760 2.906 -4.061 1.00 64.40 H new ATOM 0 HG3 LYS A 64 23.457 3.901 -3.441 1.00 64.40 H new ATOM 0 HD2 LYS A 64 21.852 2.013 -3.954 1.00 15.11 H new ATOM 0 HD3 LYS A 64 23.225 1.024 -4.409 1.00 15.11 H new ATOM 0 HE2 LYS A 64 23.273 2.382 -1.722 1.00 64.44 H new ATOM 0 HE3 LYS A 64 22.234 0.986 -1.928 1.00 64.44 H new ATOM 0 HZ1 LYS A 64 24.415 0.345 -1.131 1.00 22.11 H new ATOM 0 HZ2 LYS A 64 24.152 -0.298 -2.680 1.00 22.11 H new ATOM 0 HZ3 LYS A 64 25.160 1.055 -2.481 1.00 22.11 H new