USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 31 GLN : amide:sc= -4.37! C(o=-6.6!,f=-6.9!) USER MOD Set 1.2: A 81 MET CE :methyl -153:sc= -2.27 (180deg=-6.05!) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -8.39! C(o=-9.4!,f=-8.9!) USER MOD Set 2.2: A 24 SER OG : rot -170:sc= -0.569 USER MOD Set 2.3: A 48 MET CE :methyl -159:sc= -0.489 (180deg=-0.000117) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.29 USER MOD Single : A 9 CYS SG : rot -8:sc= -0.0468 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0312 K(o=-0.031,f=-0.79) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -151:sc= -5.7! (180deg=-6.98!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -50:sc= -0.913 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 107:sc= 0.265 USER MOD Single : A 34 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.2!) USER MOD Single : A 39 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.48) USER MOD Single : A 41 HIS : no HE2:sc= -3.59 K(o=-3.6,f=-5.5!) USER MOD Single : A 43 GLN : amide:sc= -3.25! C(o=-3.3!,f=-3.2!) USER MOD Single : A 45 TYR OH : rot -40:sc= -1.96! USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.183) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -170:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0672 USER MOD Single : A 57 MET CE :methyl -177:sc= -3.46 (180deg=-3.61) USER MOD Single : A 58 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.248) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -57:sc= 0.633 USER MOD Single : A 73 GLN : amide:sc= -0.326 K(o=-0.33,f=-1.6!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 101:sc= -0.363 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 13:sc= 0.401 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -11.656 -0.389 17.667 1.00 2.33 N ATOM 12 CA ARG A 3 -10.407 -1.111 17.456 1.00 1.33 C ATOM 13 C ARG A 3 -9.648 -0.545 16.260 1.00 65.34 C ATOM 14 O ARG A 3 -10.239 0.064 15.369 1.00 34.11 O ATOM 15 CB ARG A 3 -10.684 -2.600 17.241 1.00 51.32 C ATOM 16 CG ARG A 3 -10.273 -3.472 18.416 1.00 51.03 C ATOM 17 CD ARG A 3 -11.470 -4.184 19.026 1.00 21.22 C ATOM 18 NE ARG A 3 -11.248 -4.523 20.429 1.00 22.42 N ATOM 19 CZ ARG A 3 -12.028 -5.349 21.118 1.00 11.42 C ATOM 20 NH1 ARG A 3 -13.076 -5.916 20.537 1.00 63.14 N ATOM 21 NH2 ARG A 3 -11.761 -5.608 22.392 1.00 63.12 N ATOM 0 HA ARG A 3 -9.790 -0.989 18.346 1.00 1.33 H new ATOM 0 HB2 ARG A 3 -11.748 -2.739 17.051 1.00 51.32 H new ATOM 0 HB3 ARG A 3 -10.155 -2.934 16.349 1.00 51.32 H new ATOM 0 HG2 ARG A 3 -9.540 -4.208 18.086 1.00 51.03 H new ATOM 0 HG3 ARG A 3 -9.788 -2.858 19.175 1.00 51.03 H new ATOM 0 HD2 ARG A 3 -12.352 -3.548 18.942 1.00 21.22 H new ATOM 0 HD3 ARG A 3 -11.677 -5.093 18.462 1.00 21.22 H new ATOM 0 HE ARG A 3 -10.450 -4.103 20.906 1.00 22.42 H new ATOM 0 HH11 ARG A 3 -13.285 -5.719 19.558 1.00 63.14 H new ATOM 0 HH12 ARG A 3 -13.673 -6.550 21.069 1.00 63.14 H new ATOM 0 HH21 ARG A 3 -10.956 -5.173 22.843 1.00 63.12 H new ATOM 0 HH22 ARG A 3 -12.360 -6.242 22.920 1.00 63.12 H new ATOM 35 N GLN A 4 -8.335 -0.751 16.247 1.00 24.54 N ATOM 36 CA GLN A 4 -7.495 -0.261 15.161 1.00 61.11 C ATOM 37 C GLN A 4 -6.860 -1.419 14.398 1.00 73.20 C ATOM 38 O GLN A 4 -6.693 -2.514 14.937 1.00 50.54 O ATOM 39 CB GLN A 4 -6.405 0.663 15.707 1.00 13.14 C ATOM 40 CG GLN A 4 -6.669 2.137 15.444 1.00 71.21 C ATOM 41 CD GLN A 4 -5.572 3.032 15.985 1.00 63.11 C ATOM 42 OE1 GLN A 4 -5.717 3.640 17.045 1.00 14.45 O ATOM 43 NE2 GLN A 4 -4.464 3.117 15.257 1.00 31.03 N ATOM 0 H GLN A 4 -7.830 -1.254 16.977 1.00 24.54 H new ATOM 0 HA GLN A 4 -8.127 0.301 14.473 1.00 61.11 H new ATOM 0 HB2 GLN A 4 -6.311 0.505 16.781 1.00 13.14 H new ATOM 0 HB3 GLN A 4 -5.450 0.388 15.260 1.00 13.14 H new ATOM 0 HG2 GLN A 4 -6.768 2.299 14.371 1.00 71.21 H new ATOM 0 HG3 GLN A 4 -7.619 2.419 15.898 1.00 71.21 H new ATOM 0 HE21 GLN A 4 -4.386 2.595 14.384 1.00 31.03 H new ATOM 0 HE22 GLN A 4 -3.691 3.704 15.571 1.00 31.03 H new ATOM 52 N VAL A 5 -6.509 -1.171 13.140 1.00 21.12 N ATOM 53 CA VAL A 5 -5.892 -2.193 12.303 1.00 50.00 C ATOM 54 C VAL A 5 -4.527 -1.739 11.797 1.00 14.21 C ATOM 55 O VAL A 5 -4.239 -0.543 11.748 1.00 11.32 O ATOM 56 CB VAL A 5 -6.784 -2.544 11.097 1.00 4.01 C ATOM 57 CG1 VAL A 5 -8.149 -3.025 11.564 1.00 1.12 C ATOM 58 CG2 VAL A 5 -6.920 -1.346 10.169 1.00 22.22 C ATOM 0 H VAL A 5 -6.641 -0.271 12.678 1.00 21.12 H new ATOM 0 HA VAL A 5 -5.769 -3.080 12.925 1.00 50.00 H new ATOM 0 HB VAL A 5 -6.311 -3.354 10.541 1.00 4.01 H new ATOM 0 HG11 VAL A 5 -8.765 -3.268 10.698 1.00 1.12 H new ATOM 0 HG12 VAL A 5 -8.029 -3.913 12.185 1.00 1.12 H new ATOM 0 HG13 VAL A 5 -8.633 -2.239 12.144 1.00 1.12 H new ATOM 0 HG21 VAL A 5 -7.553 -1.612 9.322 1.00 22.22 H new ATOM 0 HG22 VAL A 5 -7.370 -0.515 10.712 1.00 22.22 H new ATOM 0 HG23 VAL A 5 -5.935 -1.052 9.807 1.00 22.22 H new ATOM 68 N ILE A 6 -3.692 -2.701 11.422 1.00 63.15 N ATOM 69 CA ILE A 6 -2.358 -2.400 10.917 1.00 4.35 C ATOM 70 C ILE A 6 -2.382 -2.148 9.414 1.00 61.54 C ATOM 71 O ILE A 6 -3.211 -2.707 8.694 1.00 1.10 O ATOM 72 CB ILE A 6 -1.370 -3.542 11.220 1.00 71.32 C ATOM 73 CG1 ILE A 6 -1.404 -3.895 12.708 1.00 13.44 C ATOM 74 CG2 ILE A 6 0.038 -3.152 10.794 1.00 35.25 C ATOM 75 CD1 ILE A 6 -2.399 -4.982 13.049 1.00 24.51 C ATOM 0 H ILE A 6 -3.915 -3.696 11.458 1.00 63.15 H new ATOM 0 HA ILE A 6 -2.024 -1.497 11.428 1.00 4.35 H new ATOM 0 HB ILE A 6 -1.670 -4.422 10.651 1.00 71.32 H new ATOM 0 HG12 ILE A 6 -0.409 -4.213 13.020 1.00 13.44 H new ATOM 0 HG13 ILE A 6 -1.646 -2.999 13.280 1.00 13.44 H new ATOM 0 HG21 ILE A 6 0.724 -3.969 11.015 1.00 35.25 H new ATOM 0 HG22 ILE A 6 0.051 -2.947 9.724 1.00 35.25 H new ATOM 0 HG23 ILE A 6 0.349 -2.260 11.338 1.00 35.25 H new ATOM 0 HD11 ILE A 6 -2.368 -5.180 14.120 1.00 24.51 H new ATOM 0 HD12 ILE A 6 -3.401 -4.659 12.768 1.00 24.51 H new ATOM 0 HD13 ILE A 6 -2.145 -5.891 12.504 1.00 24.51 H new ATOM 87 N CYS A 7 -1.467 -1.307 8.945 1.00 12.13 N ATOM 88 CA CYS A 7 -1.383 -0.982 7.526 1.00 65.12 C ATOM 89 C CYS A 7 -0.698 -2.104 6.751 1.00 14.23 C ATOM 90 O CYS A 7 0.076 -2.877 7.314 1.00 22.44 O ATOM 91 CB CYS A 7 -0.622 0.330 7.326 1.00 60.41 C ATOM 92 SG CYS A 7 1.154 0.209 7.643 1.00 61.24 S ATOM 0 H CYS A 7 -0.773 -0.838 9.527 1.00 12.13 H new ATOM 0 HA CYS A 7 -2.397 -0.867 7.144 1.00 65.12 H new ATOM 0 HB2 CYS A 7 -0.775 0.674 6.303 1.00 60.41 H new ATOM 0 HB3 CYS A 7 -1.047 1.088 7.984 1.00 60.41 H new ATOM 0 HG CYS A 7 1.710 1.367 7.446 1.00 61.24 H new ATOM 98 N TRP A 8 -0.991 -2.187 5.459 1.00 40.45 N ATOM 99 CA TRP A 8 -0.405 -3.216 4.607 1.00 50.52 C ATOM 100 C TRP A 8 0.642 -2.618 3.673 1.00 20.23 C ATOM 101 O TRP A 8 0.317 -1.829 2.785 1.00 21.22 O ATOM 102 CB TRP A 8 -1.495 -3.913 3.791 1.00 21.02 C ATOM 103 CG TRP A 8 -2.439 -4.721 4.629 1.00 2.15 C ATOM 104 CD1 TRP A 8 -3.338 -4.245 5.541 1.00 61.32 C ATOM 105 CD2 TRP A 8 -2.575 -6.146 4.635 1.00 71.14 C ATOM 106 NE1 TRP A 8 -4.025 -5.289 6.112 1.00 20.12 N ATOM 107 CE2 TRP A 8 -3.576 -6.465 5.573 1.00 73.53 C ATOM 108 CE3 TRP A 8 -1.951 -7.183 3.937 1.00 63.32 C ATOM 109 CZ2 TRP A 8 -3.964 -7.778 5.830 1.00 41.25 C ATOM 110 CZ3 TRP A 8 -2.336 -8.485 4.193 1.00 33.30 C ATOM 111 CH2 TRP A 8 -3.336 -8.774 5.132 1.00 3.50 C ATOM 0 H TRP A 8 -1.631 -1.555 4.978 1.00 40.45 H new ATOM 0 HA TRP A 8 0.084 -3.949 5.249 1.00 50.52 H new ATOM 0 HB2 TRP A 8 -2.061 -3.163 3.239 1.00 21.02 H new ATOM 0 HB3 TRP A 8 -1.026 -4.565 3.054 1.00 21.02 H new ATOM 0 HD1 TRP A 8 -3.487 -3.202 5.778 1.00 61.32 H new ATOM 0 HE1 TRP A 8 -4.752 -5.202 6.822 1.00 20.12 H new ATOM 0 HE3 TRP A 8 -1.181 -6.971 3.210 1.00 63.32 H new ATOM 0 HZ2 TRP A 8 -4.733 -8.002 6.554 1.00 41.25 H new ATOM 0 HZ3 TRP A 8 -1.858 -9.294 3.660 1.00 33.30 H new ATOM 0 HH2 TRP A 8 -3.616 -9.802 5.308 1.00 3.50 H new ATOM 122 N CYS A 9 1.898 -2.999 3.879 1.00 11.34 N ATOM 123 CA CYS A 9 2.993 -2.499 3.056 1.00 61.35 C ATOM 124 C CYS A 9 3.351 -3.500 1.962 1.00 60.31 C ATOM 125 O CYS A 9 3.725 -4.639 2.246 1.00 54.43 O ATOM 126 CB CYS A 9 4.220 -2.211 3.922 1.00 62.33 C ATOM 127 SG CYS A 9 4.753 -3.611 4.935 1.00 44.22 S ATOM 0 H CYS A 9 2.183 -3.652 4.609 1.00 11.34 H new ATOM 0 HA CYS A 9 2.666 -1.573 2.584 1.00 61.35 H new ATOM 0 HB2 CYS A 9 5.044 -1.909 3.276 1.00 62.33 H new ATOM 0 HB3 CYS A 9 4.000 -1.366 4.575 1.00 62.33 H new ATOM 0 HG CYS A 9 3.869 -4.561 4.861 1.00 44.22 H new ATOM 133 N PHE A 10 3.233 -3.069 0.711 1.00 72.15 N ATOM 134 CA PHE A 10 3.541 -3.928 -0.427 1.00 22.44 C ATOM 135 C PHE A 10 4.364 -3.177 -1.469 1.00 10.31 C ATOM 136 O PHE A 10 4.466 -1.950 -1.431 1.00 33.03 O ATOM 137 CB PHE A 10 2.251 -4.454 -1.060 1.00 45.25 C ATOM 138 CG PHE A 10 1.609 -3.481 -2.007 1.00 43.34 C ATOM 139 CD1 PHE A 10 0.898 -2.393 -1.527 1.00 43.20 C ATOM 140 CD2 PHE A 10 1.717 -3.654 -3.378 1.00 1.51 C ATOM 141 CE1 PHE A 10 0.306 -1.496 -2.396 1.00 72.53 C ATOM 142 CE2 PHE A 10 1.127 -2.760 -4.252 1.00 61.11 C ATOM 143 CZ PHE A 10 0.421 -1.680 -3.760 1.00 44.45 C ATOM 0 H PHE A 10 2.926 -2.129 0.459 1.00 72.15 H new ATOM 0 HA PHE A 10 4.129 -4.771 -0.065 1.00 22.44 H new ATOM 0 HB2 PHE A 10 2.468 -5.379 -1.594 1.00 45.25 H new ATOM 0 HB3 PHE A 10 1.542 -4.701 -0.270 1.00 45.25 H new ATOM 0 HD1 PHE A 10 0.805 -2.244 -0.461 1.00 43.20 H new ATOM 0 HD2 PHE A 10 2.268 -4.497 -3.768 1.00 1.51 H new ATOM 0 HE1 PHE A 10 -0.246 -0.652 -2.009 1.00 72.53 H new ATOM 0 HE2 PHE A 10 1.218 -2.906 -5.318 1.00 61.11 H new ATOM 0 HZ PHE A 10 -0.041 -0.980 -4.441 1.00 44.45 H new ATOM 153 N THR A 11 4.951 -3.922 -2.400 1.00 41.24 N ATOM 154 CA THR A 11 5.767 -3.328 -3.452 1.00 54.13 C ATOM 155 C THR A 11 5.382 -3.877 -4.822 1.00 4.54 C ATOM 156 O THR A 11 5.457 -5.082 -5.062 1.00 62.31 O ATOM 157 CB THR A 11 7.266 -3.583 -3.212 1.00 25.11 C ATOM 158 OG1 THR A 11 7.577 -3.408 -1.825 1.00 42.32 O ATOM 159 CG2 THR A 11 8.117 -2.641 -4.050 1.00 51.15 C ATOM 0 H THR A 11 4.877 -4.938 -2.447 1.00 41.24 H new ATOM 0 HA THR A 11 5.581 -2.254 -3.428 1.00 54.13 H new ATOM 0 HB THR A 11 7.489 -4.608 -3.508 1.00 25.11 H new ATOM 0 HG1 THR A 11 8.532 -3.574 -1.680 1.00 42.32 H new ATOM 0 HG21 THR A 11 9.172 -2.840 -3.863 1.00 51.15 H new ATOM 0 HG22 THR A 11 7.900 -2.797 -5.107 1.00 51.15 H new ATOM 0 HG23 THR A 11 7.890 -1.609 -3.782 1.00 51.15 H new ATOM 167 N LEU A 12 4.972 -2.985 -5.717 1.00 32.12 N ATOM 168 CA LEU A 12 4.576 -3.380 -7.064 1.00 65.23 C ATOM 169 C LEU A 12 5.584 -2.882 -8.096 1.00 20.25 C ATOM 170 O LEU A 12 5.862 -1.687 -8.179 1.00 54.32 O ATOM 171 CB LEU A 12 3.185 -2.835 -7.389 1.00 52.34 C ATOM 172 CG LEU A 12 2.753 -2.926 -8.854 1.00 4.14 C ATOM 173 CD1 LEU A 12 3.079 -4.299 -9.421 1.00 54.45 C ATOM 174 CD2 LEU A 12 1.267 -2.628 -8.991 1.00 64.22 C ATOM 0 H LEU A 12 4.905 -1.984 -5.534 1.00 32.12 H new ATOM 0 HA LEU A 12 4.551 -4.469 -7.104 1.00 65.23 H new ATOM 0 HB2 LEU A 12 2.456 -3.371 -6.782 1.00 52.34 H new ATOM 0 HB3 LEU A 12 3.146 -1.789 -7.084 1.00 52.34 H new ATOM 0 HG LEU A 12 3.306 -2.180 -9.424 1.00 4.14 H new ATOM 0 HD11 LEU A 12 2.765 -4.346 -10.464 1.00 54.45 H new ATOM 0 HD12 LEU A 12 4.153 -4.473 -9.357 1.00 54.45 H new ATOM 0 HD13 LEU A 12 2.553 -5.063 -8.849 1.00 54.45 H new ATOM 0 HD21 LEU A 12 0.977 -2.697 -10.039 1.00 64.22 H new ATOM 0 HD22 LEU A 12 0.696 -3.351 -8.408 1.00 64.22 H new ATOM 0 HD23 LEU A 12 1.062 -1.622 -8.624 1.00 64.22 H new ATOM 186 N ASN A 13 6.127 -3.808 -8.880 1.00 53.41 N ATOM 187 CA ASN A 13 7.102 -3.462 -9.908 1.00 23.24 C ATOM 188 C ASN A 13 6.477 -3.532 -11.297 1.00 73.23 C ATOM 189 O ASN A 13 5.722 -4.454 -11.603 1.00 70.24 O ATOM 190 CB ASN A 13 8.308 -4.400 -9.831 1.00 64.51 C ATOM 191 CG ASN A 13 7.902 -5.858 -9.737 1.00 33.45 C ATOM 192 OD1 ASN A 13 7.523 -6.341 -8.669 1.00 55.51 O ATOM 193 ND2 ASN A 13 7.979 -6.568 -10.856 1.00 43.13 N ATOM 0 H ASN A 13 5.909 -4.803 -8.823 1.00 53.41 H new ATOM 0 HA ASN A 13 7.433 -2.439 -9.730 1.00 23.24 H new ATOM 0 HB2 ASN A 13 8.933 -4.256 -10.712 1.00 64.51 H new ATOM 0 HB3 ASN A 13 8.914 -4.138 -8.964 1.00 64.51 H new ATOM 0 HD21 ASN A 13 7.719 -7.554 -10.853 1.00 43.13 H new ATOM 0 HD22 ASN A 13 8.298 -6.127 -11.719 1.00 43.13 H new ATOM 200 N ASN A 14 6.797 -2.551 -12.135 1.00 0.04 N ATOM 201 CA ASN A 14 6.267 -2.501 -13.492 1.00 74.02 C ATOM 202 C ASN A 14 4.751 -2.677 -13.491 1.00 22.40 C ATOM 203 O ASN A 14 4.213 -3.643 -14.034 1.00 1.33 O ATOM 204 CB ASN A 14 6.917 -3.584 -14.356 1.00 54.31 C ATOM 205 CG ASN A 14 8.421 -3.643 -14.174 1.00 31.22 C ATOM 206 OD1 ASN A 14 9.075 -2.618 -13.980 1.00 32.45 O ATOM 207 ND2 ASN A 14 8.977 -4.847 -14.236 1.00 21.50 N ATOM 0 H ASN A 14 7.421 -1.780 -11.898 1.00 0.04 H new ATOM 0 HA ASN A 14 6.501 -1.522 -13.911 1.00 74.02 H new ATOM 0 HB2 ASN A 14 6.485 -4.553 -14.105 1.00 54.31 H new ATOM 0 HB3 ASN A 14 6.688 -3.395 -15.405 1.00 54.31 H new ATOM 0 HD21 ASN A 14 9.985 -4.950 -14.121 1.00 21.50 H new ATOM 0 HD22 ASN A 14 8.396 -5.669 -14.399 1.00 21.50 H new ATOM 214 N PRO A 15 4.045 -1.723 -12.867 1.00 51.23 N ATOM 215 CA PRO A 15 2.582 -1.749 -12.781 1.00 72.31 C ATOM 216 C PRO A 15 1.917 -1.497 -14.130 1.00 11.00 C ATOM 217 O PRO A 15 2.397 -0.692 -14.930 1.00 21.44 O ATOM 218 CB PRO A 15 2.263 -0.612 -11.807 1.00 22.41 C ATOM 219 CG PRO A 15 3.421 0.319 -11.920 1.00 35.21 C ATOM 220 CD PRO A 15 4.620 -0.544 -12.199 1.00 3.33 C ATOM 0 HA PRO A 15 2.210 -2.722 -12.458 1.00 72.31 H new ATOM 0 HB2 PRO A 15 1.329 -0.116 -12.070 1.00 22.41 H new ATOM 0 HB3 PRO A 15 2.151 -0.983 -10.788 1.00 22.41 H new ATOM 0 HG2 PRO A 15 3.265 1.041 -12.722 1.00 35.21 H new ATOM 0 HG3 PRO A 15 3.555 0.888 -11.000 1.00 35.21 H new ATOM 0 HD2 PRO A 15 5.342 -0.034 -12.836 1.00 3.33 H new ATOM 0 HD3 PRO A 15 5.141 -0.817 -11.281 1.00 3.33 H new ATOM 228 N LEU A 16 0.810 -2.188 -14.377 1.00 72.30 N ATOM 229 CA LEU A 16 0.078 -2.039 -15.630 1.00 50.41 C ATOM 230 C LEU A 16 -0.936 -0.903 -15.536 1.00 71.01 C ATOM 231 O LEU A 16 -1.603 -0.570 -16.516 1.00 31.52 O ATOM 232 CB LEU A 16 -0.634 -3.345 -15.987 1.00 44.21 C ATOM 233 CG LEU A 16 0.255 -4.469 -16.521 1.00 11.11 C ATOM 234 CD1 LEU A 16 0.791 -5.315 -15.376 1.00 51.14 C ATOM 235 CD2 LEU A 16 -0.514 -5.332 -17.510 1.00 72.51 C ATOM 0 H LEU A 16 0.399 -2.857 -13.726 1.00 72.30 H new ATOM 0 HA LEU A 16 0.795 -1.798 -16.414 1.00 50.41 H new ATOM 0 HB2 LEU A 16 -1.151 -3.708 -15.099 1.00 44.21 H new ATOM 0 HB3 LEU A 16 -1.398 -3.127 -16.733 1.00 44.21 H new ATOM 0 HG LEU A 16 1.101 -4.021 -17.042 1.00 11.11 H new ATOM 0 HD11 LEU A 16 1.421 -6.110 -15.775 1.00 51.14 H new ATOM 0 HD12 LEU A 16 1.378 -4.689 -14.705 1.00 51.14 H new ATOM 0 HD13 LEU A 16 -0.042 -5.754 -14.827 1.00 51.14 H new ATOM 0 HD21 LEU A 16 0.134 -6.127 -17.880 1.00 72.51 H new ATOM 0 HD22 LEU A 16 -1.380 -5.771 -17.014 1.00 72.51 H new ATOM 0 HD23 LEU A 16 -0.848 -4.718 -18.346 1.00 72.51 H new ATOM 247 N SER A 17 -1.045 -0.310 -14.351 1.00 70.44 N ATOM 248 CA SER A 17 -1.979 0.787 -14.129 1.00 2.32 C ATOM 249 C SER A 17 -1.877 1.305 -12.697 1.00 52.23 C ATOM 250 O SER A 17 -1.376 0.628 -11.799 1.00 41.42 O ATOM 251 CB SER A 17 -3.411 0.333 -14.419 1.00 2.54 C ATOM 252 OG SER A 17 -4.129 0.114 -13.217 1.00 13.20 O ATOM 0 H SER A 17 -0.498 -0.571 -13.531 1.00 70.44 H new ATOM 0 HA SER A 17 -1.718 1.597 -14.810 1.00 2.32 H new ATOM 0 HB2 SER A 17 -3.921 1.087 -15.019 1.00 2.54 H new ATOM 0 HB3 SER A 17 -3.393 -0.584 -15.008 1.00 2.54 H new ATOM 0 HG SER A 17 -5.042 -0.174 -13.429 1.00 13.20 H new ATOM 258 N PRO A 18 -2.364 2.536 -12.478 1.00 73.51 N ATOM 259 CA PRO A 18 -2.341 3.173 -11.158 1.00 61.41 C ATOM 260 C PRO A 18 -3.303 2.511 -10.178 1.00 32.42 C ATOM 261 O PRO A 18 -4.289 1.893 -10.581 1.00 75.24 O ATOM 262 CB PRO A 18 -2.780 4.610 -11.450 1.00 23.30 C ATOM 263 CG PRO A 18 -3.588 4.513 -12.698 1.00 5.11 C ATOM 264 CD PRO A 18 -2.976 3.399 -13.502 1.00 1.31 C ATOM 0 HA PRO A 18 -1.361 3.099 -10.687 1.00 61.41 H new ATOM 0 HB2 PRO A 18 -3.368 5.019 -10.628 1.00 23.30 H new ATOM 0 HB3 PRO A 18 -1.921 5.267 -11.585 1.00 23.30 H new ATOM 0 HG2 PRO A 18 -4.633 4.302 -12.471 1.00 5.11 H new ATOM 0 HG3 PRO A 18 -3.565 5.452 -13.251 1.00 5.11 H new ATOM 0 HD2 PRO A 18 -3.727 2.863 -14.083 1.00 1.31 H new ATOM 0 HD3 PRO A 18 -2.234 3.773 -14.208 1.00 1.31 H new ATOM 272 N LEU A 19 -3.011 2.643 -8.889 1.00 13.43 N ATOM 273 CA LEU A 19 -3.852 2.058 -7.850 1.00 4.03 C ATOM 274 C LEU A 19 -5.190 2.784 -7.759 1.00 72.40 C ATOM 275 O LEU A 19 -5.344 3.890 -8.276 1.00 11.22 O ATOM 276 CB LEU A 19 -3.137 2.111 -6.498 1.00 51.32 C ATOM 277 CG LEU A 19 -1.806 1.365 -6.413 1.00 65.40 C ATOM 278 CD1 LEU A 19 -1.264 1.400 -4.992 1.00 62.44 C ATOM 279 CD2 LEU A 19 -1.968 -0.072 -6.889 1.00 12.25 C ATOM 0 H LEU A 19 -2.198 3.150 -8.538 1.00 13.43 H new ATOM 0 HA LEU A 19 -4.042 1.018 -8.114 1.00 4.03 H new ATOM 0 HB2 LEU A 19 -2.962 3.156 -6.243 1.00 51.32 H new ATOM 0 HB3 LEU A 19 -3.807 1.706 -5.739 1.00 51.32 H new ATOM 0 HG LEU A 19 -1.090 1.864 -7.066 1.00 65.40 H new ATOM 0 HD11 LEU A 19 -0.316 0.864 -4.951 1.00 62.44 H new ATOM 0 HD12 LEU A 19 -1.109 2.435 -4.687 1.00 62.44 H new ATOM 0 HD13 LEU A 19 -1.978 0.926 -4.318 1.00 62.44 H new ATOM 0 HD21 LEU A 19 -1.010 -0.588 -6.821 1.00 12.25 H new ATOM 0 HD22 LEU A 19 -2.700 -0.582 -6.263 1.00 12.25 H new ATOM 0 HD23 LEU A 19 -2.310 -0.076 -7.924 1.00 12.25 H new ATOM 291 N SER A 20 -6.155 2.154 -7.097 1.00 34.40 N ATOM 292 CA SER A 20 -7.482 2.738 -6.940 1.00 1.34 C ATOM 293 C SER A 20 -8.120 2.293 -5.627 1.00 61.54 C ATOM 294 O SER A 20 -7.886 1.179 -5.157 1.00 32.53 O ATOM 295 CB SER A 20 -8.379 2.345 -8.115 1.00 45.13 C ATOM 296 OG SER A 20 -8.477 0.936 -8.233 1.00 5.30 O ATOM 0 H SER A 20 -6.043 1.239 -6.661 1.00 34.40 H new ATOM 0 HA SER A 20 -7.374 3.822 -6.922 1.00 1.34 H new ATOM 0 HB2 SER A 20 -9.373 2.771 -7.977 1.00 45.13 H new ATOM 0 HB3 SER A 20 -7.978 2.763 -9.038 1.00 45.13 H new ATOM 0 HG SER A 20 -9.057 0.711 -8.990 1.00 5.30 H new ATOM 302 N LEU A 21 -8.927 3.170 -5.041 1.00 41.04 N ATOM 303 CA LEU A 21 -9.600 2.869 -3.783 1.00 31.42 C ATOM 304 C LEU A 21 -10.324 1.528 -3.860 1.00 25.13 C ATOM 305 O LEU A 21 -10.711 1.080 -4.940 1.00 4.43 O ATOM 306 CB LEU A 21 -10.594 3.978 -3.435 1.00 10.12 C ATOM 307 CG LEU A 21 -11.491 3.720 -2.224 1.00 34.21 C ATOM 308 CD1 LEU A 21 -10.660 3.622 -0.954 1.00 43.24 C ATOM 309 CD2 LEU A 21 -12.540 4.815 -2.094 1.00 21.01 C ATOM 0 H LEU A 21 -9.131 4.096 -5.417 1.00 41.04 H new ATOM 0 HA LEU A 21 -8.844 2.809 -3.001 1.00 31.42 H new ATOM 0 HB2 LEU A 21 -10.035 4.897 -3.259 1.00 10.12 H new ATOM 0 HB3 LEU A 21 -11.230 4.153 -4.302 1.00 10.12 H new ATOM 0 HG LEU A 21 -12.003 2.769 -2.372 1.00 34.21 H new ATOM 0 HD11 LEU A 21 -11.316 3.438 -0.103 1.00 43.24 H new ATOM 0 HD12 LEU A 21 -9.948 2.802 -1.047 1.00 43.24 H new ATOM 0 HD13 LEU A 21 -10.119 4.556 -0.800 1.00 43.24 H new ATOM 0 HD21 LEU A 21 -13.169 4.615 -1.227 1.00 21.01 H new ATOM 0 HD22 LEU A 21 -12.046 5.779 -1.969 1.00 21.01 H new ATOM 0 HD23 LEU A 21 -13.157 4.837 -2.993 1.00 21.01 H new ATOM 321 N HIS A 22 -10.505 0.892 -2.706 1.00 63.05 N ATOM 322 CA HIS A 22 -11.185 -0.397 -2.643 1.00 4.12 C ATOM 323 C HIS A 22 -12.415 -0.318 -1.745 1.00 34.15 C ATOM 324 O HIS A 22 -12.342 0.168 -0.616 1.00 1.12 O ATOM 325 CB HIS A 22 -10.231 -1.475 -2.128 1.00 31.43 C ATOM 326 CG HIS A 22 -10.655 -2.868 -2.481 1.00 43.22 C ATOM 327 ND1 HIS A 22 -10.623 -3.915 -1.584 1.00 50.33 N ATOM 328 CD2 HIS A 22 -11.123 -3.383 -3.642 1.00 13.20 C ATOM 329 CE1 HIS A 22 -11.052 -5.014 -2.178 1.00 52.35 C ATOM 330 NE2 HIS A 22 -11.363 -4.718 -3.428 1.00 4.02 N ATOM 0 H HIS A 22 -10.191 1.248 -1.803 1.00 63.05 H new ATOM 0 HA HIS A 22 -11.509 -0.660 -3.650 1.00 4.12 H new ATOM 0 HB2 HIS A 22 -9.236 -1.293 -2.535 1.00 31.43 H new ATOM 0 HB3 HIS A 22 -10.153 -1.391 -1.044 1.00 31.43 H new ATOM 0 HD2 HIS A 22 -11.279 -2.844 -4.565 1.00 13.20 H new ATOM 0 HE1 HIS A 22 -11.135 -5.989 -1.720 1.00 52.35 H new ATOM 0 HE2 HIS A 22 -11.723 -5.374 -4.121 1.00 4.02 H new ATOM 338 N ASP A 23 -13.545 -0.798 -2.253 1.00 63.32 N ATOM 339 CA ASP A 23 -14.791 -0.783 -1.497 1.00 14.52 C ATOM 340 C ASP A 23 -14.630 -1.512 -0.167 1.00 64.51 C ATOM 341 O ASP A 23 -15.372 -1.264 0.783 1.00 62.10 O ATOM 342 CB ASP A 23 -15.915 -1.425 -2.312 1.00 13.52 C ATOM 343 CG ASP A 23 -16.795 -0.396 -2.996 1.00 25.31 C ATOM 344 OD1 ASP A 23 -17.173 0.593 -2.335 1.00 51.45 O ATOM 345 OD2 ASP A 23 -17.105 -0.582 -4.192 1.00 3.35 O ATOM 0 H ASP A 23 -13.623 -1.203 -3.186 1.00 63.32 H new ATOM 0 HA ASP A 23 -15.049 0.256 -1.292 1.00 14.52 H new ATOM 0 HB2 ASP A 23 -15.483 -2.086 -3.063 1.00 13.52 H new ATOM 0 HB3 ASP A 23 -16.527 -2.044 -1.656 1.00 13.52 H new ATOM 350 N SER A 24 -13.655 -2.415 -0.108 1.00 12.42 N ATOM 351 CA SER A 24 -13.399 -3.184 1.104 1.00 70.41 C ATOM 352 C SER A 24 -12.497 -2.409 2.059 1.00 24.43 C ATOM 353 O SER A 24 -12.692 -2.437 3.274 1.00 25.00 O ATOM 354 CB SER A 24 -12.756 -4.528 0.754 1.00 41.34 C ATOM 355 OG SER A 24 -13.325 -5.074 -0.424 1.00 4.31 O ATOM 0 H SER A 24 -13.030 -2.631 -0.885 1.00 12.42 H new ATOM 0 HA SER A 24 -14.353 -3.364 1.599 1.00 70.41 H new ATOM 0 HB2 SER A 24 -11.683 -4.396 0.616 1.00 41.34 H new ATOM 0 HB3 SER A 24 -12.888 -5.224 1.582 1.00 41.34 H new ATOM 0 HG SER A 24 -13.015 -5.996 -0.540 1.00 4.31 H new ATOM 361 N MET A 25 -11.508 -1.719 1.500 1.00 13.33 N ATOM 362 CA MET A 25 -10.576 -0.935 2.302 1.00 42.32 C ATOM 363 C MET A 25 -11.218 0.370 2.762 1.00 51.10 C ATOM 364 O MET A 25 -12.395 0.620 2.502 1.00 52.44 O ATOM 365 CB MET A 25 -9.307 -0.637 1.501 1.00 24.30 C ATOM 366 CG MET A 25 -9.438 0.563 0.578 1.00 42.20 C ATOM 367 SD MET A 25 -7.859 1.071 -0.130 1.00 71.43 S ATOM 368 CE MET A 25 -7.433 -0.384 -1.084 1.00 25.53 C ATOM 0 H MET A 25 -11.332 -1.687 0.496 1.00 13.33 H new ATOM 0 HA MET A 25 -10.313 -1.520 3.183 1.00 42.32 H new ATOM 0 HB2 MET A 25 -8.483 -0.464 2.193 1.00 24.30 H new ATOM 0 HB3 MET A 25 -9.047 -1.514 0.908 1.00 24.30 H new ATOM 0 HG2 MET A 25 -10.132 0.323 -0.227 1.00 42.20 H new ATOM 0 HG3 MET A 25 -9.868 1.397 1.132 1.00 42.20 H new ATOM 0 HE1 MET A 25 -6.348 -0.471 -1.150 1.00 25.53 H new ATOM 0 HE2 MET A 25 -7.839 -1.270 -0.597 1.00 25.53 H new ATOM 0 HE3 MET A 25 -7.852 -0.297 -2.086 1.00 25.53 H new ATOM 378 N LYS A 26 -10.438 1.199 3.448 1.00 60.24 N ATOM 379 CA LYS A 26 -10.930 2.479 3.944 1.00 64.33 C ATOM 380 C LYS A 26 -10.062 3.627 3.439 1.00 2.34 C ATOM 381 O LYS A 26 -10.570 4.686 3.071 1.00 41.44 O ATOM 382 CB LYS A 26 -10.957 2.480 5.474 1.00 63.42 C ATOM 383 CG LYS A 26 -12.345 2.681 6.057 1.00 25.34 C ATOM 384 CD LYS A 26 -12.408 2.239 7.510 1.00 41.20 C ATOM 385 CE LYS A 26 -13.733 1.565 7.830 1.00 12.12 C ATOM 386 NZ LYS A 26 -13.572 0.472 8.828 1.00 34.51 N ATOM 0 H LYS A 26 -9.462 1.007 3.673 1.00 60.24 H new ATOM 0 HA LYS A 26 -11.944 2.621 3.569 1.00 64.33 H new ATOM 0 HB2 LYS A 26 -10.553 1.535 5.837 1.00 63.42 H new ATOM 0 HB3 LYS A 26 -10.300 3.269 5.840 1.00 63.42 H new ATOM 0 HG2 LYS A 26 -12.623 3.732 5.983 1.00 25.34 H new ATOM 0 HG3 LYS A 26 -13.072 2.117 5.472 1.00 25.34 H new ATOM 0 HD2 LYS A 26 -11.589 1.551 7.718 1.00 41.20 H new ATOM 0 HD3 LYS A 26 -12.271 3.103 8.161 1.00 41.20 H new ATOM 0 HE2 LYS A 26 -14.434 2.306 8.213 1.00 12.12 H new ATOM 0 HE3 LYS A 26 -14.165 1.160 6.915 1.00 12.12 H new ATOM 0 HZ1 LYS A 26 -14.497 0.038 9.019 1.00 34.51 H new ATOM 0 HZ2 LYS A 26 -12.922 -0.248 8.452 1.00 34.51 H new ATOM 0 HZ3 LYS A 26 -13.184 0.862 9.710 1.00 34.51 H new ATOM 400 N TYR A 27 -8.751 3.410 3.425 1.00 54.32 N ATOM 401 CA TYR A 27 -7.813 4.428 2.966 1.00 32.13 C ATOM 402 C TYR A 27 -6.772 3.826 2.028 1.00 70.43 C ATOM 403 O TYR A 27 -6.441 2.643 2.125 1.00 74.04 O ATOM 404 CB TYR A 27 -7.120 5.087 4.160 1.00 63.03 C ATOM 405 CG TYR A 27 -6.746 6.533 3.921 1.00 75.55 C ATOM 406 CD1 TYR A 27 -7.711 7.533 3.947 1.00 24.21 C ATOM 407 CD2 TYR A 27 -5.430 6.898 3.667 1.00 13.11 C ATOM 408 CE1 TYR A 27 -7.375 8.855 3.728 1.00 24.25 C ATOM 409 CE2 TYR A 27 -5.085 8.218 3.449 1.00 61.32 C ATOM 410 CZ TYR A 27 -6.060 9.192 3.480 1.00 14.33 C ATOM 411 OH TYR A 27 -5.721 10.508 3.262 1.00 65.31 O ATOM 0 H TYR A 27 -8.314 2.539 3.726 1.00 54.32 H new ATOM 0 HA TYR A 27 -8.375 5.184 2.418 1.00 32.13 H new ATOM 0 HB2 TYR A 27 -7.777 5.029 5.028 1.00 63.03 H new ATOM 0 HB3 TYR A 27 -6.220 4.523 4.403 1.00 63.03 H new ATOM 0 HD1 TYR A 27 -8.741 7.272 4.142 1.00 24.21 H new ATOM 0 HD2 TYR A 27 -4.664 6.137 3.639 1.00 13.11 H new ATOM 0 HE1 TYR A 27 -8.137 9.620 3.751 1.00 24.25 H new ATOM 0 HE2 TYR A 27 -4.057 8.485 3.255 1.00 61.32 H new ATOM 0 HH TYR A 27 -6.317 10.891 2.585 1.00 65.31 H new ATOM 421 N LEU A 28 -6.258 4.648 1.120 1.00 72.34 N ATOM 422 CA LEU A 28 -5.253 4.198 0.162 1.00 12.33 C ATOM 423 C LEU A 28 -4.080 5.172 0.107 1.00 31.31 C ATOM 424 O LEU A 28 -4.264 6.371 -0.101 1.00 12.15 O ATOM 425 CB LEU A 28 -5.874 4.051 -1.228 1.00 14.12 C ATOM 426 CG LEU A 28 -4.893 4.003 -2.400 1.00 33.13 C ATOM 427 CD1 LEU A 28 -3.775 3.012 -2.119 1.00 62.40 C ATOM 428 CD2 LEU A 28 -5.618 3.641 -3.688 1.00 14.23 C ATOM 0 H LEU A 28 -6.520 5.629 1.027 1.00 72.34 H new ATOM 0 HA LEU A 28 -4.881 3.228 0.491 1.00 12.33 H new ATOM 0 HB2 LEU A 28 -6.471 3.139 -1.243 1.00 14.12 H new ATOM 0 HB3 LEU A 28 -6.559 4.883 -1.388 1.00 14.12 H new ATOM 0 HG LEU A 28 -4.452 4.992 -2.521 1.00 33.13 H new ATOM 0 HD11 LEU A 28 -3.086 2.991 -2.964 1.00 62.40 H new ATOM 0 HD12 LEU A 28 -3.238 3.315 -1.220 1.00 62.40 H new ATOM 0 HD13 LEU A 28 -4.198 2.018 -1.971 1.00 62.40 H new ATOM 0 HD21 LEU A 28 -4.904 3.612 -4.511 1.00 14.23 H new ATOM 0 HD22 LEU A 28 -6.087 2.663 -3.579 1.00 14.23 H new ATOM 0 HD23 LEU A 28 -6.383 4.389 -3.898 1.00 14.23 H new ATOM 440 N VAL A 29 -2.873 4.647 0.292 1.00 20.33 N ATOM 441 CA VAL A 29 -1.669 5.468 0.260 1.00 1.32 C ATOM 442 C VAL A 29 -0.555 4.781 -0.522 1.00 33.01 C ATOM 443 O VAL A 29 -0.136 3.674 -0.182 1.00 42.34 O ATOM 444 CB VAL A 29 -1.165 5.781 1.682 1.00 51.54 C ATOM 445 CG1 VAL A 29 0.140 6.561 1.626 1.00 21.41 C ATOM 446 CG2 VAL A 29 -2.221 6.549 2.464 1.00 64.34 C ATOM 0 H VAL A 29 -2.703 3.656 0.466 1.00 20.33 H new ATOM 0 HA VAL A 29 -1.936 6.401 -0.237 1.00 1.32 H new ATOM 0 HB VAL A 29 -0.976 4.839 2.198 1.00 51.54 H new ATOM 0 HG11 VAL A 29 0.481 6.773 2.639 1.00 21.41 H new ATOM 0 HG12 VAL A 29 0.894 5.971 1.105 1.00 21.41 H new ATOM 0 HG13 VAL A 29 -0.019 7.498 1.093 1.00 21.41 H new ATOM 0 HG21 VAL A 29 -1.849 6.762 3.466 1.00 64.34 H new ATOM 0 HG22 VAL A 29 -2.443 7.486 1.953 1.00 64.34 H new ATOM 0 HG23 VAL A 29 -3.129 5.950 2.534 1.00 64.34 H new ATOM 456 N TYR A 30 -0.080 5.444 -1.570 1.00 52.12 N ATOM 457 CA TYR A 30 0.984 4.896 -2.403 1.00 2.43 C ATOM 458 C TYR A 30 1.764 6.011 -3.093 1.00 4.13 C ATOM 459 O TYR A 30 1.267 7.126 -3.248 1.00 43.14 O ATOM 460 CB TYR A 30 0.403 3.943 -3.448 1.00 62.20 C ATOM 461 CG TYR A 30 -0.113 4.642 -4.685 1.00 43.23 C ATOM 462 CD1 TYR A 30 -1.419 5.111 -4.749 1.00 2.53 C ATOM 463 CD2 TYR A 30 0.707 4.835 -5.791 1.00 32.41 C ATOM 464 CE1 TYR A 30 -1.894 5.750 -5.877 1.00 53.34 C ATOM 465 CE2 TYR A 30 0.240 5.474 -6.923 1.00 62.33 C ATOM 466 CZ TYR A 30 -1.061 5.929 -6.962 1.00 11.21 C ATOM 467 OH TYR A 30 -1.531 6.566 -8.088 1.00 4.34 O ATOM 0 H TYR A 30 -0.415 6.362 -1.863 1.00 52.12 H new ATOM 0 HA TYR A 30 1.668 4.344 -1.758 1.00 2.43 H new ATOM 0 HB2 TYR A 30 1.170 3.226 -3.740 1.00 62.20 H new ATOM 0 HB3 TYR A 30 -0.410 3.374 -2.997 1.00 62.20 H new ATOM 0 HD1 TYR A 30 -2.074 4.973 -3.902 1.00 2.53 H new ATOM 0 HD2 TYR A 30 1.726 4.479 -5.765 1.00 32.41 H new ATOM 0 HE1 TYR A 30 -2.912 6.108 -5.910 1.00 53.34 H new ATOM 0 HE2 TYR A 30 0.891 5.617 -7.773 1.00 62.33 H new ATOM 0 HH TYR A 30 -0.819 6.612 -8.759 1.00 4.34 H new ATOM 477 N GLN A 31 2.989 5.700 -3.504 1.00 63.13 N ATOM 478 CA GLN A 31 3.839 6.675 -4.178 1.00 20.22 C ATOM 479 C GLN A 31 4.659 6.013 -5.280 1.00 71.33 C ATOM 480 O GLN A 31 4.904 4.806 -5.248 1.00 55.11 O ATOM 481 CB GLN A 31 4.770 7.353 -3.171 1.00 52.22 C ATOM 482 CG GLN A 31 5.883 6.449 -2.667 1.00 12.25 C ATOM 483 CD GLN A 31 6.946 7.207 -1.896 1.00 33.25 C ATOM 484 OE1 GLN A 31 8.142 6.988 -2.087 1.00 22.24 O ATOM 485 NE2 GLN A 31 6.514 8.105 -1.018 1.00 33.32 N ATOM 0 H GLN A 31 3.415 4.781 -3.382 1.00 63.13 H new ATOM 0 HA GLN A 31 3.195 7.428 -4.632 1.00 20.22 H new ATOM 0 HB2 GLN A 31 5.212 8.235 -3.634 1.00 52.22 H new ATOM 0 HB3 GLN A 31 4.182 7.700 -2.321 1.00 52.22 H new ATOM 0 HG2 GLN A 31 5.457 5.676 -2.027 1.00 12.25 H new ATOM 0 HG3 GLN A 31 6.346 5.942 -3.514 1.00 12.25 H new ATOM 0 HE21 GLN A 31 5.513 8.254 -0.892 1.00 33.32 H new ATOM 0 HE22 GLN A 31 7.183 8.645 -0.470 1.00 33.32 H new ATOM 494 N THR A 32 5.082 6.810 -6.257 1.00 34.22 N ATOM 495 CA THR A 32 5.873 6.301 -7.370 1.00 54.32 C ATOM 496 C THR A 32 7.364 6.476 -7.110 1.00 24.43 C ATOM 497 O THR A 32 7.797 7.507 -6.596 1.00 61.24 O ATOM 498 CB THR A 32 5.507 7.009 -8.689 1.00 0.15 C ATOM 499 OG1 THR A 32 4.101 6.891 -8.935 1.00 24.13 O ATOM 500 CG2 THR A 32 6.283 6.415 -9.855 1.00 11.54 C ATOM 0 H THR A 32 4.890 7.811 -6.299 1.00 34.22 H new ATOM 0 HA THR A 32 5.645 5.239 -7.460 1.00 54.32 H new ATOM 0 HB THR A 32 5.772 8.062 -8.596 1.00 0.15 H new ATOM 0 HG1 THR A 32 3.668 7.757 -8.783 1.00 24.13 H new ATOM 0 HG21 THR A 32 6.008 6.931 -10.775 1.00 11.54 H new ATOM 0 HG22 THR A 32 7.352 6.533 -9.678 1.00 11.54 H new ATOM 0 HG23 THR A 32 6.045 5.355 -9.948 1.00 11.54 H new ATOM 508 N GLU A 33 8.146 5.461 -7.468 1.00 15.25 N ATOM 509 CA GLU A 33 9.590 5.504 -7.272 1.00 11.14 C ATOM 510 C GLU A 33 10.323 5.026 -8.522 1.00 31.13 C ATOM 511 O GLU A 33 9.763 4.297 -9.340 1.00 43.13 O ATOM 512 CB GLU A 33 9.990 4.643 -6.072 1.00 11.23 C ATOM 513 CG GLU A 33 10.020 5.406 -4.758 1.00 51.21 C ATOM 514 CD GLU A 33 10.023 4.489 -3.551 1.00 14.04 C ATOM 515 OE1 GLU A 33 8.977 3.863 -3.278 1.00 63.53 O ATOM 516 OE2 GLU A 33 11.071 4.398 -2.878 1.00 30.21 O ATOM 0 H GLU A 33 7.803 4.600 -7.895 1.00 15.25 H new ATOM 0 HA GLU A 33 9.874 6.538 -7.078 1.00 11.14 H new ATOM 0 HB2 GLU A 33 9.291 3.811 -5.983 1.00 11.23 H new ATOM 0 HB3 GLU A 33 10.975 4.214 -6.256 1.00 11.23 H new ATOM 0 HG2 GLU A 33 10.906 6.040 -4.730 1.00 51.21 H new ATOM 0 HG3 GLU A 33 9.154 6.066 -4.706 1.00 51.21 H new ATOM 523 N GLN A 34 11.577 5.442 -8.661 1.00 4.44 N ATOM 524 CA GLN A 34 12.387 5.058 -9.811 1.00 34.31 C ATOM 525 C GLN A 34 13.293 3.880 -9.469 1.00 61.33 C ATOM 526 O GLN A 34 13.927 3.857 -8.415 1.00 63.24 O ATOM 527 CB GLN A 34 13.228 6.242 -10.288 1.00 41.53 C ATOM 528 CG GLN A 34 13.062 6.550 -11.768 1.00 23.41 C ATOM 529 CD GLN A 34 14.334 6.315 -12.559 1.00 3.54 C ATOM 530 OE1 GLN A 34 15.200 5.541 -12.150 1.00 35.43 O ATOM 531 NE2 GLN A 34 14.455 6.986 -13.699 1.00 32.43 N ATOM 0 H GLN A 34 12.055 6.045 -7.991 1.00 4.44 H new ATOM 0 HA GLN A 34 11.714 4.754 -10.613 1.00 34.31 H new ATOM 0 HB2 GLN A 34 12.958 7.125 -9.709 1.00 41.53 H new ATOM 0 HB3 GLN A 34 14.279 6.036 -10.084 1.00 41.53 H new ATOM 0 HG2 GLN A 34 12.264 5.930 -12.177 1.00 23.41 H new ATOM 0 HG3 GLN A 34 12.751 7.588 -11.887 1.00 23.41 H new ATOM 0 HE21 GLN A 34 13.713 7.617 -14.000 1.00 32.43 H new ATOM 0 HE22 GLN A 34 15.290 6.870 -14.273 1.00 32.43 H new ATOM 540 N GLY A 35 13.349 2.902 -10.368 1.00 71.35 N ATOM 541 CA GLY A 35 14.180 1.734 -10.143 1.00 71.43 C ATOM 542 C GLY A 35 13.930 0.639 -11.162 1.00 42.30 C ATOM 543 O GLY A 35 13.018 0.742 -11.981 1.00 50.43 O ATOM 0 H GLY A 35 12.834 2.898 -11.248 1.00 71.35 H new ATOM 0 HA2 GLY A 35 15.229 2.026 -10.179 1.00 71.43 H new ATOM 0 HA3 GLY A 35 13.991 1.345 -9.142 1.00 71.43 H new ATOM 547 N GLU A 36 14.744 -0.411 -11.112 1.00 12.11 N ATOM 548 CA GLU A 36 14.607 -1.527 -12.040 1.00 20.32 C ATOM 549 C GLU A 36 14.225 -1.034 -13.432 1.00 41.34 C ATOM 550 O GLU A 36 13.049 -1.008 -13.792 1.00 54.41 O ATOM 551 CB GLU A 36 13.556 -2.516 -11.531 1.00 60.33 C ATOM 552 CG GLU A 36 12.277 -1.852 -11.050 1.00 41.44 C ATOM 553 CD GLU A 36 11.241 -2.853 -10.579 1.00 73.12 C ATOM 554 OE1 GLU A 36 11.137 -3.934 -11.197 1.00 3.14 O ATOM 555 OE2 GLU A 36 10.533 -2.557 -9.594 1.00 41.50 O ATOM 0 H GLU A 36 15.504 -0.512 -10.439 1.00 12.11 H new ATOM 0 HA GLU A 36 15.571 -2.033 -12.105 1.00 20.32 H new ATOM 0 HB2 GLU A 36 13.313 -3.218 -12.329 1.00 60.33 H new ATOM 0 HB3 GLU A 36 13.983 -3.098 -10.714 1.00 60.33 H new ATOM 0 HG2 GLU A 36 12.512 -1.167 -10.235 1.00 41.44 H new ATOM 0 HG3 GLU A 36 11.857 -1.253 -11.858 1.00 41.44 H new ATOM 562 N ALA A 37 15.229 -0.643 -14.211 1.00 14.51 N ATOM 563 CA ALA A 37 14.999 -0.151 -15.564 1.00 22.31 C ATOM 564 C ALA A 37 14.223 1.161 -15.547 1.00 74.12 C ATOM 565 O ALA A 37 13.765 1.609 -14.497 1.00 50.40 O ATOM 566 CB ALA A 37 14.258 -1.195 -16.386 1.00 34.33 C ATOM 0 H ALA A 37 16.209 -0.658 -13.928 1.00 14.51 H new ATOM 0 HA ALA A 37 15.968 0.037 -16.025 1.00 22.31 H new ATOM 0 HB1 ALA A 37 14.093 -0.814 -17.394 1.00 34.33 H new ATOM 0 HB2 ALA A 37 14.852 -2.108 -16.435 1.00 34.33 H new ATOM 0 HB3 ALA A 37 13.298 -1.412 -15.918 1.00 34.33 H new ATOM 572 N GLY A 38 14.078 1.773 -16.719 1.00 3.12 N ATOM 573 CA GLY A 38 13.357 3.029 -16.816 1.00 23.22 C ATOM 574 C GLY A 38 11.970 2.949 -16.210 1.00 41.12 C ATOM 575 O GLY A 38 11.406 3.962 -15.800 1.00 12.23 O ATOM 0 H GLY A 38 14.447 1.421 -17.603 1.00 3.12 H new ATOM 0 HA2 GLY A 38 13.926 3.811 -16.312 1.00 23.22 H new ATOM 0 HA3 GLY A 38 13.276 3.318 -17.864 1.00 23.22 H new ATOM 579 N ASN A 39 11.418 1.741 -16.156 1.00 3.13 N ATOM 580 CA ASN A 39 10.087 1.533 -15.598 1.00 11.51 C ATOM 581 C ASN A 39 10.007 2.062 -14.169 1.00 42.10 C ATOM 582 O ASN A 39 11.017 2.456 -13.585 1.00 63.20 O ATOM 583 CB ASN A 39 9.726 0.047 -15.624 1.00 63.24 C ATOM 584 CG ASN A 39 10.103 -0.616 -16.935 1.00 74.15 C ATOM 585 OD1 ASN A 39 10.022 -0.002 -18.000 1.00 24.43 O ATOM 586 ND2 ASN A 39 10.516 -1.876 -16.864 1.00 33.10 N ATOM 0 H ASN A 39 11.872 0.892 -16.492 1.00 3.13 H new ATOM 0 HA ASN A 39 9.374 2.084 -16.211 1.00 11.51 H new ATOM 0 HB2 ASN A 39 10.232 -0.462 -14.804 1.00 63.24 H new ATOM 0 HB3 ASN A 39 8.655 -0.067 -15.457 1.00 63.24 H new ATOM 0 HD21 ASN A 39 10.782 -2.374 -17.713 1.00 33.10 H new ATOM 0 HD22 ASN A 39 10.568 -2.346 -15.960 1.00 33.10 H new ATOM 593 N ILE A 40 8.801 2.067 -13.612 1.00 53.34 N ATOM 594 CA ILE A 40 8.590 2.546 -12.252 1.00 32.22 C ATOM 595 C ILE A 40 7.858 1.505 -11.411 1.00 2.45 C ATOM 596 O ILE A 40 7.307 0.539 -11.939 1.00 45.23 O ATOM 597 CB ILE A 40 7.787 3.860 -12.235 1.00 73.14 C ATOM 598 CG1 ILE A 40 6.885 3.947 -13.468 1.00 51.43 C ATOM 599 CG2 ILE A 40 8.727 5.054 -12.174 1.00 50.42 C ATOM 600 CD1 ILE A 40 5.962 5.146 -13.458 1.00 62.01 C ATOM 0 H ILE A 40 7.955 1.745 -14.082 1.00 53.34 H new ATOM 0 HA ILE A 40 9.576 2.728 -11.825 1.00 32.22 H new ATOM 0 HB ILE A 40 7.157 3.873 -11.346 1.00 73.14 H new ATOM 0 HG12 ILE A 40 7.508 3.985 -14.362 1.00 51.43 H new ATOM 0 HG13 ILE A 40 6.287 3.038 -13.535 1.00 51.43 H new ATOM 0 HG21 ILE A 40 8.145 5.975 -12.163 1.00 50.42 H new ATOM 0 HG22 ILE A 40 9.331 4.995 -11.269 1.00 50.42 H new ATOM 0 HG23 ILE A 40 9.380 5.048 -13.047 1.00 50.42 H new ATOM 0 HD11 ILE A 40 5.352 5.143 -14.362 1.00 62.01 H new ATOM 0 HD12 ILE A 40 5.314 5.099 -12.583 1.00 62.01 H new ATOM 0 HD13 ILE A 40 6.554 6.061 -13.422 1.00 62.01 H new ATOM 612 N HIS A 41 7.855 1.710 -10.097 1.00 52.51 N ATOM 613 CA HIS A 41 7.188 0.791 -9.182 1.00 2.34 C ATOM 614 C HIS A 41 6.341 1.554 -8.167 1.00 61.32 C ATOM 615 O HIS A 41 6.658 2.687 -7.806 1.00 13.32 O ATOM 616 CB HIS A 41 8.218 -0.075 -8.455 1.00 51.33 C ATOM 617 CG HIS A 41 9.477 0.658 -8.106 1.00 71.31 C ATOM 618 ND1 HIS A 41 10.726 0.076 -8.160 1.00 33.43 N ATOM 619 CD2 HIS A 41 9.675 1.933 -7.698 1.00 41.15 C ATOM 620 CE1 HIS A 41 11.637 0.961 -7.798 1.00 65.44 C ATOM 621 NE2 HIS A 41 11.026 2.096 -7.514 1.00 0.31 N ATOM 0 H HIS A 41 8.307 2.504 -9.643 1.00 52.51 H new ATOM 0 HA HIS A 41 6.531 0.148 -9.767 1.00 2.34 H new ATOM 0 HB2 HIS A 41 7.771 -0.468 -7.542 1.00 51.33 H new ATOM 0 HB3 HIS A 41 8.468 -0.931 -9.081 1.00 51.33 H new ATOM 0 HD1 HIS A 41 10.916 -0.887 -8.436 1.00 33.43 H new ATOM 0 HD2 HIS A 41 8.913 2.683 -7.546 1.00 41.15 H new ATOM 0 HE1 HIS A 41 12.701 0.786 -7.744 1.00 65.44 H new ATOM 629 N PHE A 42 5.263 0.925 -7.712 1.00 73.51 N ATOM 630 CA PHE A 42 4.369 1.544 -6.741 1.00 11.42 C ATOM 631 C PHE A 42 4.595 0.966 -5.347 1.00 71.21 C ATOM 632 O PHE A 42 4.646 -0.251 -5.170 1.00 71.15 O ATOM 633 CB PHE A 42 2.910 1.344 -7.158 1.00 4.51 C ATOM 634 CG PHE A 42 2.537 2.089 -8.408 1.00 11.13 C ATOM 635 CD1 PHE A 42 3.063 3.345 -8.665 1.00 60.33 C ATOM 636 CD2 PHE A 42 1.659 1.534 -9.325 1.00 22.42 C ATOM 637 CE1 PHE A 42 2.722 4.033 -9.815 1.00 33.53 C ATOM 638 CE2 PHE A 42 1.315 2.216 -10.476 1.00 14.41 C ATOM 639 CZ PHE A 42 1.845 3.468 -10.721 1.00 25.14 C ATOM 0 H PHE A 42 4.987 -0.014 -8.000 1.00 73.51 H new ATOM 0 HA PHE A 42 4.588 2.611 -6.712 1.00 11.42 H new ATOM 0 HB2 PHE A 42 2.726 0.280 -7.310 1.00 4.51 H new ATOM 0 HB3 PHE A 42 2.260 1.667 -6.344 1.00 4.51 H new ATOM 0 HD1 PHE A 42 3.747 3.792 -7.959 1.00 60.33 H new ATOM 0 HD2 PHE A 42 1.239 0.557 -9.138 1.00 22.42 H new ATOM 0 HE1 PHE A 42 3.140 5.010 -10.005 1.00 33.53 H new ATOM 0 HE2 PHE A 42 0.632 1.771 -11.184 1.00 14.41 H new ATOM 0 HZ PHE A 42 1.574 4.004 -11.619 1.00 25.14 H new ATOM 649 N GLN A 43 4.730 1.847 -4.362 1.00 1.43 N ATOM 650 CA GLN A 43 4.952 1.424 -2.984 1.00 52.40 C ATOM 651 C GLN A 43 4.159 2.293 -2.013 1.00 51.54 C ATOM 652 O GLN A 43 3.894 3.463 -2.287 1.00 14.35 O ATOM 653 CB GLN A 43 6.442 1.487 -2.643 1.00 34.33 C ATOM 654 CG GLN A 43 7.169 0.169 -2.852 1.00 23.50 C ATOM 655 CD GLN A 43 8.565 0.355 -3.414 1.00 52.21 C ATOM 656 OE1 GLN A 43 9.560 0.113 -2.730 1.00 74.42 O ATOM 657 NE2 GLN A 43 8.646 0.788 -4.667 1.00 13.33 N ATOM 0 H GLN A 43 4.690 2.858 -4.492 1.00 1.43 H new ATOM 0 HA GLN A 43 4.607 0.395 -2.886 1.00 52.40 H new ATOM 0 HB2 GLN A 43 6.915 2.254 -3.256 1.00 34.33 H new ATOM 0 HB3 GLN A 43 6.556 1.795 -1.604 1.00 34.33 H new ATOM 0 HG2 GLN A 43 7.232 -0.362 -1.902 1.00 23.50 H new ATOM 0 HG3 GLN A 43 6.589 -0.458 -3.530 1.00 23.50 H new ATOM 0 HE21 GLN A 43 7.795 0.976 -5.198 1.00 13.33 H new ATOM 0 HE22 GLN A 43 9.559 0.932 -5.099 1.00 13.33 H new ATOM 666 N GLY A 44 3.783 1.712 -0.878 1.00 54.51 N ATOM 667 CA GLY A 44 3.023 2.448 0.116 1.00 40.55 C ATOM 668 C GLY A 44 2.289 1.535 1.078 1.00 43.53 C ATOM 669 O GLY A 44 2.488 0.320 1.065 1.00 4.55 O ATOM 0 H GLY A 44 3.991 0.745 -0.629 1.00 54.51 H new ATOM 0 HA2 GLY A 44 3.696 3.096 0.677 1.00 40.55 H new ATOM 0 HA3 GLY A 44 2.304 3.095 -0.387 1.00 40.55 H new ATOM 673 N TYR A 45 1.440 2.121 1.915 1.00 71.34 N ATOM 674 CA TYR A 45 0.677 1.352 2.891 1.00 40.01 C ATOM 675 C TYR A 45 -0.818 1.433 2.600 1.00 74.13 C ATOM 676 O TYR A 45 -1.322 2.468 2.163 1.00 43.34 O ATOM 677 CB TYR A 45 0.961 1.860 4.305 1.00 13.15 C ATOM 678 CG TYR A 45 0.248 3.151 4.640 1.00 74.14 C ATOM 679 CD1 TYR A 45 -1.035 3.140 5.174 1.00 2.54 C ATOM 680 CD2 TYR A 45 0.856 4.381 4.420 1.00 75.34 C ATOM 681 CE1 TYR A 45 -1.691 4.317 5.481 1.00 44.23 C ATOM 682 CE2 TYR A 45 0.208 5.562 4.724 1.00 11.21 C ATOM 683 CZ TYR A 45 -1.065 5.525 5.254 1.00 1.42 C ATOM 684 OH TYR A 45 -1.714 6.700 5.558 1.00 41.34 O ATOM 0 H TYR A 45 1.263 3.125 1.937 1.00 71.34 H new ATOM 0 HA TYR A 45 0.987 0.310 2.817 1.00 40.01 H new ATOM 0 HB2 TYR A 45 0.666 1.095 5.023 1.00 13.15 H new ATOM 0 HB3 TYR A 45 2.035 2.007 4.420 1.00 13.15 H new ATOM 0 HD1 TYR A 45 -1.528 2.196 5.352 1.00 2.54 H new ATOM 0 HD2 TYR A 45 1.852 4.414 4.004 1.00 75.34 H new ATOM 0 HE1 TYR A 45 -2.688 4.291 5.896 1.00 44.23 H new ATOM 0 HE2 TYR A 45 0.695 6.510 4.548 1.00 11.21 H new ATOM 0 HH TYR A 45 -2.658 6.627 5.305 1.00 41.34 H new ATOM 694 N ILE A 46 -1.523 0.333 2.846 1.00 44.43 N ATOM 695 CA ILE A 46 -2.960 0.279 2.612 1.00 14.51 C ATOM 696 C ILE A 46 -3.682 -0.389 3.777 1.00 21.13 C ATOM 697 O ILE A 46 -3.326 -1.493 4.189 1.00 41.30 O ATOM 698 CB ILE A 46 -3.292 -0.480 1.314 1.00 63.11 C ATOM 699 CG1 ILE A 46 -2.508 0.109 0.139 1.00 73.52 C ATOM 700 CG2 ILE A 46 -4.787 -0.431 1.038 1.00 11.24 C ATOM 701 CD1 ILE A 46 -2.704 -0.647 -1.157 1.00 53.10 C ATOM 0 H ILE A 46 -1.122 -0.532 3.207 1.00 44.43 H new ATOM 0 HA ILE A 46 -3.303 1.309 2.518 1.00 14.51 H new ATOM 0 HB ILE A 46 -3.000 -1.523 1.436 1.00 63.11 H new ATOM 0 HG12 ILE A 46 -2.810 1.146 -0.005 1.00 73.52 H new ATOM 0 HG13 ILE A 46 -1.447 0.118 0.388 1.00 73.52 H new ATOM 0 HG21 ILE A 46 -5.005 -0.972 0.117 1.00 11.24 H new ATOM 0 HG22 ILE A 46 -5.325 -0.892 1.866 1.00 11.24 H new ATOM 0 HG23 ILE A 46 -5.104 0.607 0.933 1.00 11.24 H new ATOM 0 HD11 ILE A 46 -2.119 -0.174 -1.946 1.00 53.10 H new ATOM 0 HD12 ILE A 46 -2.375 -1.678 -1.030 1.00 53.10 H new ATOM 0 HD13 ILE A 46 -3.759 -0.634 -1.430 1.00 53.10 H new ATOM 713 N GLU A 47 -4.699 0.287 4.303 1.00 62.21 N ATOM 714 CA GLU A 47 -5.471 -0.243 5.420 1.00 33.23 C ATOM 715 C GLU A 47 -6.824 -0.767 4.947 1.00 52.33 C ATOM 716 O GLU A 47 -7.645 -0.013 4.424 1.00 2.13 O ATOM 717 CB GLU A 47 -5.674 0.836 6.486 1.00 34.31 C ATOM 718 CG GLU A 47 -4.416 1.629 6.796 1.00 14.41 C ATOM 719 CD GLU A 47 -4.119 1.694 8.282 1.00 44.04 C ATOM 720 OE1 GLU A 47 -3.796 0.641 8.869 1.00 62.51 O ATOM 721 OE2 GLU A 47 -4.208 2.799 8.856 1.00 12.24 O ATOM 0 H GLU A 47 -5.007 1.202 3.973 1.00 62.21 H new ATOM 0 HA GLU A 47 -4.912 -1.072 5.854 1.00 33.23 H new ATOM 0 HB2 GLU A 47 -6.453 1.522 6.153 1.00 34.31 H new ATOM 0 HB3 GLU A 47 -6.033 0.367 7.402 1.00 34.31 H new ATOM 0 HG2 GLU A 47 -3.569 1.177 6.279 1.00 14.41 H new ATOM 0 HG3 GLU A 47 -4.524 2.641 6.406 1.00 14.41 H new ATOM 728 N MET A 48 -7.048 -2.063 5.133 1.00 75.30 N ATOM 729 CA MET A 48 -8.302 -2.688 4.725 1.00 24.05 C ATOM 730 C MET A 48 -9.396 -2.435 5.757 1.00 10.15 C ATOM 731 O MET A 48 -9.171 -1.764 6.765 1.00 43.12 O ATOM 732 CB MET A 48 -8.106 -4.193 4.531 1.00 54.14 C ATOM 733 CG MET A 48 -7.158 -4.541 3.395 1.00 51.54 C ATOM 734 SD MET A 48 -7.673 -3.831 1.819 1.00 63.43 S ATOM 735 CE MET A 48 -8.958 -4.981 1.334 1.00 53.40 C ATOM 0 H MET A 48 -6.379 -2.701 5.563 1.00 75.30 H new ATOM 0 HA MET A 48 -8.610 -2.244 3.779 1.00 24.05 H new ATOM 0 HB2 MET A 48 -7.724 -4.624 5.457 1.00 54.14 H new ATOM 0 HB3 MET A 48 -9.074 -4.656 4.340 1.00 54.14 H new ATOM 0 HG2 MET A 48 -6.157 -4.185 3.640 1.00 51.54 H new ATOM 0 HG3 MET A 48 -7.096 -5.625 3.298 1.00 51.54 H new ATOM 0 HE1 MET A 48 -9.115 -4.918 0.257 1.00 53.40 H new ATOM 0 HE2 MET A 48 -8.657 -5.995 1.598 1.00 53.40 H new ATOM 0 HE3 MET A 48 -9.884 -4.731 1.851 1.00 53.40 H new ATOM 745 N LYS A 49 -10.582 -2.976 5.500 1.00 11.22 N ATOM 746 CA LYS A 49 -11.712 -2.810 6.407 1.00 50.13 C ATOM 747 C LYS A 49 -11.311 -3.138 7.841 1.00 12.35 C ATOM 748 O LYS A 49 -11.366 -2.281 8.724 1.00 53.22 O ATOM 749 CB LYS A 49 -12.875 -3.705 5.974 1.00 54.13 C ATOM 750 CG LYS A 49 -14.233 -3.033 6.082 1.00 50.42 C ATOM 751 CD LYS A 49 -15.027 -3.168 4.793 1.00 24.10 C ATOM 752 CE LYS A 49 -16.523 -3.210 5.062 1.00 71.03 C ATOM 753 NZ LYS A 49 -16.963 -2.081 5.928 1.00 61.32 N ATOM 0 H LYS A 49 -10.786 -3.534 4.671 1.00 11.22 H new ATOM 0 HA LYS A 49 -12.029 -1.768 6.366 1.00 50.13 H new ATOM 0 HB2 LYS A 49 -12.716 -4.020 4.943 1.00 54.13 H new ATOM 0 HB3 LYS A 49 -12.876 -4.607 6.586 1.00 54.13 H new ATOM 0 HG2 LYS A 49 -14.795 -3.476 6.904 1.00 50.42 H new ATOM 0 HG3 LYS A 49 -14.100 -1.978 6.319 1.00 50.42 H new ATOM 0 HD2 LYS A 49 -14.798 -2.330 4.134 1.00 24.10 H new ATOM 0 HD3 LYS A 49 -14.724 -4.076 4.271 1.00 24.10 H new ATOM 0 HE2 LYS A 49 -17.063 -3.174 4.116 1.00 71.03 H new ATOM 0 HE3 LYS A 49 -16.780 -4.156 5.540 1.00 71.03 H new ATOM 0 HZ1 LYS A 49 -18.002 -2.045 5.950 1.00 61.32 H new ATOM 0 HZ2 LYS A 49 -16.601 -2.222 6.893 1.00 61.32 H new ATOM 0 HZ3 LYS A 49 -16.594 -1.187 5.547 1.00 61.32 H new ATOM 767 N LYS A 50 -10.906 -4.383 8.068 1.00 15.20 N ATOM 768 CA LYS A 50 -10.493 -4.824 9.395 1.00 52.01 C ATOM 769 C LYS A 50 -10.107 -6.299 9.382 1.00 64.52 C ATOM 770 O LYS A 50 -8.926 -6.642 9.445 1.00 2.14 O ATOM 771 CB LYS A 50 -11.618 -4.589 10.406 1.00 22.51 C ATOM 772 CG LYS A 50 -11.293 -3.526 11.441 1.00 55.45 C ATOM 773 CD LYS A 50 -12.521 -3.142 12.249 1.00 13.42 C ATOM 774 CE LYS A 50 -13.207 -1.912 11.672 1.00 25.32 C ATOM 775 NZ LYS A 50 -14.507 -1.636 12.343 1.00 20.11 N ATOM 0 H LYS A 50 -10.855 -5.105 7.349 1.00 15.20 H new ATOM 0 HA LYS A 50 -9.620 -4.241 9.689 1.00 52.01 H new ATOM 0 HB2 LYS A 50 -12.522 -4.298 9.870 1.00 22.51 H new ATOM 0 HB3 LYS A 50 -11.838 -5.526 10.917 1.00 22.51 H new ATOM 0 HG2 LYS A 50 -10.516 -3.894 12.111 1.00 55.45 H new ATOM 0 HG3 LYS A 50 -10.893 -2.643 10.944 1.00 55.45 H new ATOM 0 HD2 LYS A 50 -13.222 -3.976 12.266 1.00 13.42 H new ATOM 0 HD3 LYS A 50 -12.232 -2.948 13.282 1.00 13.42 H new ATOM 0 HE2 LYS A 50 -12.552 -1.047 11.779 1.00 25.32 H new ATOM 0 HE3 LYS A 50 -13.373 -2.056 10.604 1.00 25.32 H new ATOM 0 HZ1 LYS A 50 -14.943 -0.791 11.922 1.00 20.11 H new ATOM 0 HZ2 LYS A 50 -15.141 -2.451 12.219 1.00 20.11 H new ATOM 0 HZ3 LYS A 50 -14.346 -1.473 13.358 1.00 20.11 H new ATOM 789 N ARG A 51 -11.109 -7.168 9.297 1.00 23.45 N ATOM 790 CA ARG A 51 -10.873 -8.607 9.276 1.00 42.14 C ATOM 791 C ARG A 51 -10.628 -9.096 7.851 1.00 4.01 C ATOM 792 O ARG A 51 -11.246 -10.060 7.398 1.00 11.13 O ATOM 793 CB ARG A 51 -12.064 -9.350 9.883 1.00 1.14 C ATOM 794 CG ARG A 51 -11.686 -10.660 10.556 1.00 51.42 C ATOM 795 CD ARG A 51 -12.164 -10.703 11.999 1.00 73.34 C ATOM 796 NE ARG A 51 -12.537 -12.054 12.411 1.00 12.30 N ATOM 797 CZ ARG A 51 -12.961 -12.358 13.632 1.00 31.45 C ATOM 798 NH1 ARG A 51 -13.066 -11.413 14.556 1.00 24.35 N ATOM 799 NH2 ARG A 51 -13.282 -13.611 13.932 1.00 41.34 N ATOM 0 H ARG A 51 -12.092 -6.901 9.242 1.00 23.45 H new ATOM 0 HA ARG A 51 -9.984 -8.813 9.872 1.00 42.14 H new ATOM 0 HB2 ARG A 51 -12.551 -8.704 10.613 1.00 1.14 H new ATOM 0 HB3 ARG A 51 -12.794 -9.551 9.099 1.00 1.14 H new ATOM 0 HG2 ARG A 51 -12.120 -11.493 10.003 1.00 51.42 H new ATOM 0 HG3 ARG A 51 -10.604 -10.787 10.526 1.00 51.42 H new ATOM 0 HD2 ARG A 51 -11.377 -10.329 12.653 1.00 73.34 H new ATOM 0 HD3 ARG A 51 -13.020 -10.038 12.118 1.00 73.34 H new ATOM 0 HE ARG A 51 -12.468 -12.804 11.724 1.00 12.30 H new ATOM 0 HH11 ARG A 51 -12.821 -10.449 14.330 1.00 24.35 H new ATOM 0 HH12 ARG A 51 -13.392 -11.650 15.493 1.00 24.35 H new ATOM 0 HH21 ARG A 51 -13.203 -14.341 13.224 1.00 41.34 H new ATOM 0 HH22 ARG A 51 -13.608 -13.843 14.870 1.00 41.34 H new ATOM 813 N THR A 52 -9.721 -8.424 7.148 1.00 61.40 N ATOM 814 CA THR A 52 -9.395 -8.789 5.775 1.00 10.30 C ATOM 815 C THR A 52 -7.969 -9.317 5.670 1.00 42.50 C ATOM 816 O THR A 52 -7.007 -8.587 5.911 1.00 14.34 O ATOM 817 CB THR A 52 -9.558 -7.590 4.822 1.00 52.22 C ATOM 818 OG1 THR A 52 -10.548 -6.690 5.332 1.00 50.41 O ATOM 819 CG2 THR A 52 -9.958 -8.056 3.430 1.00 51.41 C ATOM 0 H THR A 52 -9.199 -7.624 7.507 1.00 61.40 H new ATOM 0 HA THR A 52 -10.092 -9.574 5.482 1.00 10.30 H new ATOM 0 HB THR A 52 -8.600 -7.075 4.754 1.00 52.22 H new ATOM 0 HG1 THR A 52 -10.760 -6.017 4.652 1.00 50.41 H new ATOM 0 HG21 THR A 52 -10.067 -7.192 2.774 1.00 51.41 H new ATOM 0 HG22 THR A 52 -9.188 -8.718 3.033 1.00 51.41 H new ATOM 0 HG23 THR A 52 -10.905 -8.592 3.484 1.00 51.41 H new ATOM 827 N SER A 53 -7.839 -10.589 5.308 1.00 43.35 N ATOM 828 CA SER A 53 -6.529 -11.215 5.173 1.00 23.25 C ATOM 829 C SER A 53 -5.842 -10.769 3.886 1.00 13.32 C ATOM 830 O SER A 53 -6.392 -9.979 3.117 1.00 0.01 O ATOM 831 CB SER A 53 -6.665 -12.739 5.190 1.00 4.03 C ATOM 832 OG SER A 53 -7.828 -13.155 4.497 1.00 51.04 O ATOM 0 H SER A 53 -8.625 -11.206 5.103 1.00 43.35 H new ATOM 0 HA SER A 53 -5.916 -10.902 6.018 1.00 23.25 H new ATOM 0 HB2 SER A 53 -5.785 -13.191 4.733 1.00 4.03 H new ATOM 0 HB3 SER A 53 -6.706 -13.092 6.220 1.00 4.03 H new ATOM 0 HG SER A 53 -7.891 -14.133 4.521 1.00 51.04 H new ATOM 838 N LEU A 54 -4.637 -11.280 3.658 1.00 55.40 N ATOM 839 CA LEU A 54 -3.874 -10.935 2.464 1.00 43.41 C ATOM 840 C LEU A 54 -4.703 -11.160 1.203 1.00 4.14 C ATOM 841 O LEU A 54 -4.523 -10.472 0.199 1.00 5.11 O ATOM 842 CB LEU A 54 -2.590 -11.763 2.399 1.00 63.43 C ATOM 843 CG LEU A 54 -1.669 -11.482 1.211 1.00 4.31 C ATOM 844 CD1 LEU A 54 -1.179 -10.042 1.245 1.00 30.20 C ATOM 845 CD2 LEU A 54 -0.492 -12.447 1.208 1.00 73.13 C ATOM 0 H LEU A 54 -4.168 -11.934 4.284 1.00 55.40 H new ATOM 0 HA LEU A 54 -3.615 -9.878 2.521 1.00 43.41 H new ATOM 0 HB2 LEU A 54 -2.027 -11.596 3.317 1.00 63.43 H new ATOM 0 HB3 LEU A 54 -2.863 -12.818 2.380 1.00 63.43 H new ATOM 0 HG LEU A 54 -2.237 -11.630 0.293 1.00 4.31 H new ATOM 0 HD11 LEU A 54 -0.525 -9.860 0.392 1.00 30.20 H new ATOM 0 HD12 LEU A 54 -2.033 -9.366 1.198 1.00 30.20 H new ATOM 0 HD13 LEU A 54 -0.628 -9.867 2.169 1.00 30.20 H new ATOM 0 HD21 LEU A 54 0.153 -12.232 0.356 1.00 73.13 H new ATOM 0 HD22 LEU A 54 0.076 -12.331 2.131 1.00 73.13 H new ATOM 0 HD23 LEU A 54 -0.861 -13.470 1.135 1.00 73.13 H new ATOM 857 N ALA A 55 -5.612 -12.127 1.265 1.00 55.43 N ATOM 858 CA ALA A 55 -6.472 -12.440 0.130 1.00 51.40 C ATOM 859 C ALA A 55 -7.219 -11.200 -0.351 1.00 72.41 C ATOM 860 O ALA A 55 -7.486 -11.048 -1.542 1.00 53.03 O ATOM 861 CB ALA A 55 -7.455 -13.540 0.500 1.00 31.33 C ATOM 0 H ALA A 55 -5.772 -12.707 2.089 1.00 55.43 H new ATOM 0 HA ALA A 55 -5.841 -12.792 -0.686 1.00 51.40 H new ATOM 0 HB1 ALA A 55 -8.091 -13.763 -0.357 1.00 31.33 H new ATOM 0 HB2 ALA A 55 -6.906 -14.437 0.788 1.00 31.33 H new ATOM 0 HB3 ALA A 55 -8.074 -13.210 1.334 1.00 31.33 H new ATOM 867 N GLY A 56 -7.555 -10.317 0.584 1.00 2.22 N ATOM 868 CA GLY A 56 -8.269 -9.103 0.235 1.00 10.44 C ATOM 869 C GLY A 56 -7.395 -8.107 -0.501 1.00 3.24 C ATOM 870 O GLY A 56 -7.804 -7.542 -1.514 1.00 71.15 O ATOM 0 H GLY A 56 -7.346 -10.421 1.577 1.00 2.22 H new ATOM 0 HA2 GLY A 56 -9.128 -9.356 -0.386 1.00 10.44 H new ATOM 0 HA3 GLY A 56 -8.657 -8.640 1.142 1.00 10.44 H new ATOM 874 N MET A 57 -6.188 -7.890 0.012 1.00 42.54 N ATOM 875 CA MET A 57 -5.254 -6.954 -0.604 1.00 63.12 C ATOM 876 C MET A 57 -4.707 -7.514 -1.914 1.00 33.34 C ATOM 877 O MET A 57 -4.688 -6.827 -2.935 1.00 3.21 O ATOM 878 CB MET A 57 -4.101 -6.647 0.353 1.00 3.11 C ATOM 879 CG MET A 57 -4.521 -5.843 1.573 1.00 73.40 C ATOM 880 SD MET A 57 -4.162 -4.085 1.404 1.00 41.41 S ATOM 881 CE MET A 57 -4.680 -3.794 -0.286 1.00 14.03 C ATOM 0 H MET A 57 -5.834 -8.349 0.851 1.00 42.54 H new ATOM 0 HA MET A 57 -5.793 -6.032 -0.820 1.00 63.12 H new ATOM 0 HB2 MET A 57 -3.654 -7.585 0.683 1.00 3.11 H new ATOM 0 HB3 MET A 57 -3.329 -6.098 -0.186 1.00 3.11 H new ATOM 0 HG2 MET A 57 -5.590 -5.977 1.741 1.00 73.40 H new ATOM 0 HG3 MET A 57 -4.009 -6.231 2.453 1.00 73.40 H new ATOM 0 HE1 MET A 57 -4.470 -2.760 -0.558 1.00 14.03 H new ATOM 0 HE2 MET A 57 -4.136 -4.462 -0.954 1.00 14.03 H new ATOM 0 HE3 MET A 57 -5.750 -3.983 -0.376 1.00 14.03 H new ATOM 891 N LYS A 58 -4.264 -8.766 -1.877 1.00 61.21 N ATOM 892 CA LYS A 58 -3.718 -9.420 -3.060 1.00 43.15 C ATOM 893 C LYS A 58 -4.694 -9.332 -4.230 1.00 25.14 C ATOM 894 O LYS A 58 -4.285 -9.229 -5.387 1.00 20.15 O ATOM 895 CB LYS A 58 -3.399 -10.886 -2.757 1.00 41.44 C ATOM 896 CG LYS A 58 -2.155 -11.396 -3.464 1.00 74.44 C ATOM 897 CD LYS A 58 -1.922 -12.872 -3.185 1.00 45.43 C ATOM 898 CE LYS A 58 -1.580 -13.115 -1.723 1.00 51.02 C ATOM 899 NZ LYS A 58 -1.027 -14.480 -1.503 1.00 11.15 N ATOM 0 H LYS A 58 -4.272 -9.348 -1.040 1.00 61.21 H new ATOM 0 HA LYS A 58 -2.798 -8.905 -3.337 1.00 43.15 H new ATOM 0 HB2 LYS A 58 -3.271 -11.006 -1.681 1.00 41.44 H new ATOM 0 HB3 LYS A 58 -4.250 -11.502 -3.047 1.00 41.44 H new ATOM 0 HG2 LYS A 58 -2.255 -11.239 -4.538 1.00 74.44 H new ATOM 0 HG3 LYS A 58 -1.288 -10.822 -3.137 1.00 74.44 H new ATOM 0 HD2 LYS A 58 -2.814 -13.439 -3.450 1.00 45.43 H new ATOM 0 HD3 LYS A 58 -1.112 -13.239 -3.815 1.00 45.43 H new ATOM 0 HE2 LYS A 58 -0.855 -12.372 -1.391 1.00 51.02 H new ATOM 0 HE3 LYS A 58 -2.474 -12.983 -1.114 1.00 51.02 H new ATOM 0 HZ1 LYS A 58 -1.242 -14.790 -0.534 1.00 11.15 H new ATOM 0 HZ2 LYS A 58 -1.456 -15.142 -2.181 1.00 11.15 H new ATOM 0 HZ3 LYS A 58 0.004 -14.463 -1.640 1.00 11.15 H new ATOM 913 N LYS A 59 -5.985 -9.372 -3.921 1.00 31.34 N ATOM 914 CA LYS A 59 -7.020 -9.294 -4.945 1.00 31.53 C ATOM 915 C LYS A 59 -6.870 -8.023 -5.774 1.00 71.44 C ATOM 916 O LYS A 59 -7.180 -8.008 -6.967 1.00 2.25 O ATOM 917 CB LYS A 59 -8.408 -9.335 -4.301 1.00 2.04 C ATOM 918 CG LYS A 59 -9.246 -10.525 -4.735 1.00 64.03 C ATOM 919 CD LYS A 59 -10.648 -10.462 -4.154 1.00 21.04 C ATOM 920 CE LYS A 59 -11.192 -11.851 -3.859 1.00 72.54 C ATOM 921 NZ LYS A 59 -12.561 -11.799 -3.275 1.00 51.34 N ATOM 0 H LYS A 59 -6.340 -9.458 -2.969 1.00 31.34 H new ATOM 0 HA LYS A 59 -6.908 -10.153 -5.606 1.00 31.53 H new ATOM 0 HB2 LYS A 59 -8.296 -9.357 -3.217 1.00 2.04 H new ATOM 0 HB3 LYS A 59 -8.941 -8.417 -4.548 1.00 2.04 H new ATOM 0 HG2 LYS A 59 -9.303 -10.553 -5.823 1.00 64.03 H new ATOM 0 HG3 LYS A 59 -8.761 -11.448 -4.417 1.00 64.03 H new ATOM 0 HD2 LYS A 59 -10.637 -9.872 -3.237 1.00 21.04 H new ATOM 0 HD3 LYS A 59 -11.310 -9.952 -4.853 1.00 21.04 H new ATOM 0 HE2 LYS A 59 -11.212 -12.436 -4.779 1.00 72.54 H new ATOM 0 HE3 LYS A 59 -10.522 -12.364 -3.169 1.00 72.54 H new ATOM 0 HZ1 LYS A 59 -12.896 -12.766 -3.088 1.00 51.34 H new ATOM 0 HZ2 LYS A 59 -12.538 -11.263 -2.384 1.00 51.34 H new ATOM 0 HZ3 LYS A 59 -13.206 -11.332 -3.944 1.00 51.34 H new ATOM 935 N LEU A 60 -6.392 -6.960 -5.138 1.00 13.22 N ATOM 936 CA LEU A 60 -6.200 -5.684 -5.818 1.00 5.31 C ATOM 937 C LEU A 60 -4.885 -5.672 -6.592 1.00 30.15 C ATOM 938 O LEU A 60 -4.809 -5.135 -7.697 1.00 1.11 O ATOM 939 CB LEU A 60 -6.219 -4.536 -4.806 1.00 74.35 C ATOM 940 CG LEU A 60 -7.588 -4.176 -4.227 1.00 41.44 C ATOM 941 CD1 LEU A 60 -8.050 -5.241 -3.246 1.00 60.50 C ATOM 942 CD2 LEU A 60 -7.539 -2.812 -3.553 1.00 71.30 C ATOM 0 H LEU A 60 -6.130 -6.956 -4.152 1.00 13.22 H new ATOM 0 HA LEU A 60 -7.019 -5.551 -6.525 1.00 5.31 H new ATOM 0 HB2 LEU A 60 -5.554 -4.794 -3.982 1.00 74.35 H new ATOM 0 HB3 LEU A 60 -5.804 -3.649 -5.285 1.00 74.35 H new ATOM 0 HG LEU A 60 -8.307 -4.130 -5.045 1.00 41.44 H new ATOM 0 HD11 LEU A 60 -9.026 -4.967 -2.845 1.00 60.50 H new ATOM 0 HD12 LEU A 60 -8.125 -6.200 -3.759 1.00 60.50 H new ATOM 0 HD13 LEU A 60 -7.331 -5.321 -2.430 1.00 60.50 H new ATOM 0 HD21 LEU A 60 -8.521 -2.572 -3.147 1.00 71.30 H new ATOM 0 HD22 LEU A 60 -6.807 -2.831 -2.746 1.00 71.30 H new ATOM 0 HD23 LEU A 60 -7.253 -2.055 -4.284 1.00 71.30 H new ATOM 954 N ILE A 61 -3.854 -6.270 -6.004 1.00 43.53 N ATOM 955 CA ILE A 61 -2.543 -6.330 -6.640 1.00 75.52 C ATOM 956 C ILE A 61 -2.103 -7.775 -6.854 1.00 50.43 C ATOM 957 O ILE A 61 -1.252 -8.303 -6.138 1.00 41.25 O ATOM 958 CB ILE A 61 -1.477 -5.599 -5.804 1.00 32.04 C ATOM 959 CG1 ILE A 61 -2.116 -4.461 -5.005 1.00 34.54 C ATOM 960 CG2 ILE A 61 -0.372 -5.066 -6.703 1.00 51.12 C ATOM 961 CD1 ILE A 61 -2.810 -3.432 -5.869 1.00 2.54 C ATOM 0 H ILE A 61 -3.901 -6.719 -5.089 1.00 43.53 H new ATOM 0 HA ILE A 61 -2.637 -5.834 -7.606 1.00 75.52 H new ATOM 0 HB ILE A 61 -1.038 -6.308 -5.103 1.00 32.04 H new ATOM 0 HG12 ILE A 61 -2.837 -4.881 -4.304 1.00 34.54 H new ATOM 0 HG13 ILE A 61 -1.346 -3.967 -4.413 1.00 34.54 H new ATOM 0 HG21 ILE A 61 0.374 -4.552 -6.097 1.00 51.12 H new ATOM 0 HG22 ILE A 61 0.099 -5.895 -7.232 1.00 51.12 H new ATOM 0 HG23 ILE A 61 -0.796 -4.369 -7.426 1.00 51.12 H new ATOM 0 HD11 ILE A 61 -3.240 -2.656 -5.236 1.00 2.54 H new ATOM 0 HD12 ILE A 61 -2.089 -2.985 -6.553 1.00 2.54 H new ATOM 0 HD13 ILE A 61 -3.603 -3.913 -6.442 1.00 2.54 H new ATOM 973 N PRO A 62 -2.694 -8.430 -7.865 1.00 0.25 N ATOM 974 CA PRO A 62 -2.377 -9.821 -8.199 1.00 23.55 C ATOM 975 C PRO A 62 -0.979 -9.972 -8.789 1.00 41.32 C ATOM 976 O PRO A 62 -0.763 -9.711 -9.972 1.00 1.11 O ATOM 977 CB PRO A 62 -3.439 -10.188 -9.238 1.00 42.33 C ATOM 978 CG PRO A 62 -3.832 -8.888 -9.852 1.00 62.41 C ATOM 979 CD PRO A 62 -3.717 -7.862 -8.759 1.00 20.41 C ATOM 0 HA PRO A 62 -2.384 -10.463 -7.318 1.00 23.55 H new ATOM 0 HB2 PRO A 62 -3.041 -10.875 -9.985 1.00 42.33 H new ATOM 0 HB3 PRO A 62 -4.293 -10.681 -8.774 1.00 42.33 H new ATOM 0 HG2 PRO A 62 -3.181 -8.640 -10.690 1.00 62.41 H new ATOM 0 HG3 PRO A 62 -4.849 -8.932 -10.241 1.00 62.41 H new ATOM 0 HD2 PRO A 62 -3.415 -6.890 -9.150 1.00 20.41 H new ATOM 0 HD3 PRO A 62 -4.666 -7.717 -8.243 1.00 20.41 H new ATOM 987 N GLY A 63 -0.032 -10.395 -7.957 1.00 41.51 N ATOM 988 CA GLY A 63 1.333 -10.572 -8.416 1.00 24.21 C ATOM 989 C GLY A 63 2.290 -9.578 -7.788 1.00 21.20 C ATOM 990 O GLY A 63 3.313 -9.233 -8.379 1.00 10.04 O ATOM 0 H GLY A 63 -0.186 -10.618 -6.974 1.00 41.51 H new ATOM 0 HA2 GLY A 63 1.662 -11.585 -8.184 1.00 24.21 H new ATOM 0 HA3 GLY A 63 1.365 -10.467 -9.500 1.00 24.21 H new ATOM 994 N ALA A 64 1.957 -9.115 -6.588 1.00 35.54 N ATOM 995 CA ALA A 64 2.794 -8.156 -5.879 1.00 50.52 C ATOM 996 C ALA A 64 3.269 -8.721 -4.545 1.00 64.12 C ATOM 997 O ALA A 64 2.738 -9.719 -4.058 1.00 31.41 O ATOM 998 CB ALA A 64 2.037 -6.853 -5.663 1.00 21.40 C ATOM 0 H ALA A 64 1.112 -9.389 -6.086 1.00 35.54 H new ATOM 0 HA ALA A 64 3.673 -7.956 -6.492 1.00 50.52 H new ATOM 0 HB1 ALA A 64 2.674 -6.146 -5.132 1.00 21.40 H new ATOM 0 HB2 ALA A 64 1.753 -6.433 -6.628 1.00 21.40 H new ATOM 0 HB3 ALA A 64 1.140 -7.046 -5.074 1.00 21.40 H new ATOM 1004 N HIS A 65 4.274 -8.077 -3.959 1.00 70.51 N ATOM 1005 CA HIS A 65 4.821 -8.517 -2.680 1.00 41.04 C ATOM 1006 C HIS A 65 4.185 -7.750 -1.525 1.00 33.51 C ATOM 1007 O HIS A 65 4.406 -6.550 -1.366 1.00 43.22 O ATOM 1008 CB HIS A 65 6.338 -8.328 -2.659 1.00 22.11 C ATOM 1009 CG HIS A 65 7.032 -9.172 -1.634 1.00 43.52 C ATOM 1010 ND1 HIS A 65 8.072 -8.707 -0.856 1.00 60.34 N ATOM 1011 CD2 HIS A 65 6.829 -10.456 -1.260 1.00 62.52 C ATOM 1012 CE1 HIS A 65 8.480 -9.671 -0.050 1.00 14.34 C ATOM 1013 NE2 HIS A 65 7.741 -10.743 -0.274 1.00 43.43 N ATOM 0 H HIS A 65 4.726 -7.250 -4.349 1.00 70.51 H new ATOM 0 HA HIS A 65 4.592 -9.576 -2.559 1.00 41.04 H new ATOM 0 HB2 HIS A 65 6.739 -8.564 -3.645 1.00 22.11 H new ATOM 0 HB3 HIS A 65 6.563 -7.279 -2.467 1.00 22.11 H new ATOM 0 HD2 HIS A 65 6.087 -11.130 -1.662 1.00 62.52 H new ATOM 0 HE1 HIS A 65 9.282 -9.596 0.670 1.00 14.34 H new ATOM 0 HE2 HIS A 65 7.833 -11.638 0.207 1.00 43.43 H new ATOM 1021 N PHE A 66 3.393 -8.452 -0.721 1.00 14.02 N ATOM 1022 CA PHE A 66 2.723 -7.837 0.419 1.00 34.11 C ATOM 1023 C PHE A 66 3.322 -8.330 1.733 1.00 74.30 C ATOM 1024 O PHE A 66 3.944 -9.391 1.783 1.00 14.35 O ATOM 1025 CB PHE A 66 1.224 -8.143 0.382 1.00 12.34 C ATOM 1026 CG PHE A 66 0.404 -7.047 -0.237 1.00 34.32 C ATOM 1027 CD1 PHE A 66 0.306 -6.931 -1.614 1.00 3.40 C ATOM 1028 CD2 PHE A 66 -0.270 -6.134 0.558 1.00 4.05 C ATOM 1029 CE1 PHE A 66 -0.448 -5.924 -2.187 1.00 41.00 C ATOM 1030 CE2 PHE A 66 -1.026 -5.126 -0.009 1.00 4.31 C ATOM 1031 CZ PHE A 66 -1.114 -5.020 -1.383 1.00 41.32 C ATOM 0 H PHE A 66 3.200 -9.447 -0.838 1.00 14.02 H new ATOM 0 HA PHE A 66 2.869 -6.759 0.356 1.00 34.11 H new ATOM 0 HB2 PHE A 66 1.063 -9.066 -0.176 1.00 12.34 H new ATOM 0 HB3 PHE A 66 0.872 -8.320 1.398 1.00 12.34 H new ATOM 0 HD1 PHE A 66 0.825 -7.636 -2.247 1.00 3.40 H new ATOM 0 HD2 PHE A 66 -0.204 -6.211 1.633 1.00 4.05 H new ATOM 0 HE1 PHE A 66 -0.516 -5.844 -3.262 1.00 41.00 H new ATOM 0 HE2 PHE A 66 -1.548 -4.422 0.622 1.00 4.31 H new ATOM 0 HZ PHE A 66 -1.703 -4.231 -1.828 1.00 41.32 H new ATOM 1041 N GLU A 67 3.129 -7.552 2.793 1.00 1.23 N ATOM 1042 CA GLU A 67 3.652 -7.909 4.107 1.00 13.30 C ATOM 1043 C GLU A 67 2.765 -7.349 5.216 1.00 72.23 C ATOM 1044 O GLU A 67 2.696 -6.137 5.419 1.00 14.12 O ATOM 1045 CB GLU A 67 5.081 -7.388 4.271 1.00 41.14 C ATOM 1046 CG GLU A 67 5.929 -8.222 5.216 1.00 35.51 C ATOM 1047 CD GLU A 67 7.023 -7.415 5.885 1.00 4.44 C ATOM 1048 OE1 GLU A 67 6.750 -6.266 6.291 1.00 44.32 O ATOM 1049 OE2 GLU A 67 8.154 -7.932 6.004 1.00 72.43 O ATOM 0 H GLU A 67 2.615 -6.671 2.768 1.00 1.23 H new ATOM 0 HA GLU A 67 3.658 -8.996 4.184 1.00 13.30 H new ATOM 0 HB2 GLU A 67 5.563 -7.360 3.294 1.00 41.14 H new ATOM 0 HB3 GLU A 67 5.045 -6.362 4.638 1.00 41.14 H new ATOM 0 HG2 GLU A 67 5.288 -8.662 5.980 1.00 35.51 H new ATOM 0 HG3 GLU A 67 6.378 -9.047 4.663 1.00 35.51 H new ATOM 1056 N LYS A 68 2.087 -8.241 5.930 1.00 61.41 N ATOM 1057 CA LYS A 68 1.205 -7.839 7.019 1.00 75.52 C ATOM 1058 C LYS A 68 1.875 -8.058 8.371 1.00 33.44 C ATOM 1059 O LYS A 68 1.207 -8.113 9.404 1.00 74.30 O ATOM 1060 CB LYS A 68 -0.108 -8.624 6.955 1.00 21.10 C ATOM 1061 CG LYS A 68 -1.222 -8.014 7.788 1.00 30.50 C ATOM 1062 CD LYS A 68 -2.139 -9.083 8.360 1.00 1.41 C ATOM 1063 CE LYS A 68 -2.805 -8.616 9.646 1.00 44.44 C ATOM 1064 NZ LYS A 68 -2.331 -9.388 10.828 1.00 53.05 N ATOM 0 H LYS A 68 2.132 -9.248 5.774 1.00 61.41 H new ATOM 0 HA LYS A 68 0.992 -6.776 6.907 1.00 75.52 H new ATOM 0 HB2 LYS A 68 -0.434 -8.686 5.917 1.00 21.10 H new ATOM 0 HB3 LYS A 68 0.071 -9.644 7.294 1.00 21.10 H new ATOM 0 HG2 LYS A 68 -0.791 -7.429 8.601 1.00 30.50 H new ATOM 0 HG3 LYS A 68 -1.802 -7.326 7.173 1.00 30.50 H new ATOM 0 HD2 LYS A 68 -2.903 -9.340 7.626 1.00 1.41 H new ATOM 0 HD3 LYS A 68 -1.566 -9.990 8.554 1.00 1.41 H new ATOM 0 HE2 LYS A 68 -2.599 -7.556 9.798 1.00 44.44 H new ATOM 0 HE3 LYS A 68 -3.886 -8.720 9.554 1.00 44.44 H new ATOM 0 HZ1 LYS A 68 -2.808 -9.040 11.684 1.00 53.05 H new ATOM 0 HZ2 LYS A 68 -2.550 -10.396 10.695 1.00 53.05 H new ATOM 0 HZ3 LYS A 68 -1.303 -9.268 10.931 1.00 53.05 H new ATOM 1078 N ARG A 69 3.198 -8.181 8.358 1.00 30.21 N ATOM 1079 CA ARG A 69 3.958 -8.394 9.584 1.00 51.50 C ATOM 1080 C ARG A 69 4.234 -7.069 10.289 1.00 42.43 C ATOM 1081 O ARG A 69 4.972 -7.020 11.273 1.00 14.14 O ATOM 1082 CB ARG A 69 5.277 -9.104 9.275 1.00 41.21 C ATOM 1083 CG ARG A 69 5.120 -10.593 9.012 1.00 42.41 C ATOM 1084 CD ARG A 69 6.456 -11.246 8.694 1.00 40.12 C ATOM 1085 NE ARG A 69 6.549 -12.596 9.242 1.00 23.24 N ATOM 1086 CZ ARG A 69 7.569 -13.415 9.010 1.00 71.23 C ATOM 1087 NH1 ARG A 69 8.577 -13.023 8.243 1.00 1.22 N ATOM 1088 NH2 ARG A 69 7.582 -14.629 9.545 1.00 73.43 N ATOM 0 H ARG A 69 3.766 -8.137 7.512 1.00 30.21 H new ATOM 0 HA ARG A 69 3.362 -9.022 10.247 1.00 51.50 H new ATOM 0 HB2 ARG A 69 5.736 -8.636 8.404 1.00 41.21 H new ATOM 0 HB3 ARG A 69 5.961 -8.962 10.111 1.00 41.21 H new ATOM 0 HG2 ARG A 69 4.678 -11.073 9.885 1.00 42.41 H new ATOM 0 HG3 ARG A 69 4.432 -10.746 8.181 1.00 42.41 H new ATOM 0 HD2 ARG A 69 6.593 -11.283 7.613 1.00 40.12 H new ATOM 0 HD3 ARG A 69 7.263 -10.635 9.097 1.00 40.12 H new ATOM 0 HE ARG A 69 5.789 -12.929 9.836 1.00 23.24 H new ATOM 0 HH11 ARG A 69 8.571 -12.091 7.829 1.00 1.22 H new ATOM 0 HH12 ARG A 69 9.359 -13.654 8.067 1.00 1.22 H new ATOM 0 HH21 ARG A 69 6.808 -14.935 10.135 1.00 73.43 H new ATOM 0 HH22 ARG A 69 8.366 -15.257 9.366 1.00 73.43 H new ATOM 1102 N ARG A 70 3.638 -5.997 9.777 1.00 11.33 N ATOM 1103 CA ARG A 70 3.821 -4.671 10.356 1.00 21.33 C ATOM 1104 C ARG A 70 5.253 -4.183 10.154 1.00 14.04 C ATOM 1105 O ARG A 70 6.012 -4.041 11.112 1.00 53.40 O ATOM 1106 CB ARG A 70 3.484 -4.692 11.848 1.00 33.12 C ATOM 1107 CG ARG A 70 3.200 -3.316 12.428 1.00 43.22 C ATOM 1108 CD ARG A 70 2.639 -3.410 13.838 1.00 55.02 C ATOM 1109 NE ARG A 70 1.352 -2.730 13.961 1.00 40.21 N ATOM 1110 CZ ARG A 70 0.725 -2.547 15.118 1.00 44.53 C ATOM 1111 NH1 ARG A 70 1.264 -2.990 16.245 1.00 63.11 N ATOM 1112 NH2 ARG A 70 -0.443 -1.918 15.149 1.00 42.15 N ATOM 0 H ARG A 70 3.024 -6.021 8.963 1.00 11.33 H new ATOM 0 HA ARG A 70 3.145 -3.983 9.847 1.00 21.33 H new ATOM 0 HB2 ARG A 70 2.615 -5.330 12.006 1.00 33.12 H new ATOM 0 HB3 ARG A 70 4.314 -5.142 12.393 1.00 33.12 H new ATOM 0 HG2 ARG A 70 4.118 -2.728 12.439 1.00 43.22 H new ATOM 0 HG3 ARG A 70 2.492 -2.789 11.788 1.00 43.22 H new ATOM 0 HD2 ARG A 70 2.523 -4.458 14.113 1.00 55.02 H new ATOM 0 HD3 ARG A 70 3.349 -2.973 14.540 1.00 55.02 H new ATOM 0 HE ARG A 70 0.911 -2.376 13.112 1.00 40.21 H new ATOM 0 HH11 ARG A 70 2.162 -3.473 16.225 1.00 63.11 H new ATOM 0 HH12 ARG A 70 0.780 -2.848 17.132 1.00 63.11 H new ATOM 0 HH21 ARG A 70 -0.860 -1.574 14.284 1.00 42.15 H new ATOM 0 HH22 ARG A 70 -0.923 -1.778 16.038 1.00 42.15 H new ATOM 1126 N GLY A 71 5.615 -3.929 8.900 1.00 15.54 N ATOM 1127 CA GLY A 71 6.954 -3.460 8.595 1.00 13.14 C ATOM 1128 C GLY A 71 7.371 -2.290 9.464 1.00 34.05 C ATOM 1129 O GLY A 71 8.553 -2.116 9.759 1.00 5.44 O ATOM 0 H GLY A 71 5.005 -4.040 8.090 1.00 15.54 H new ATOM 0 HA2 GLY A 71 7.661 -4.278 8.729 1.00 13.14 H new ATOM 0 HA3 GLY A 71 7.002 -3.165 7.547 1.00 13.14 H new ATOM 1133 N THR A 72 6.397 -1.483 9.876 1.00 71.55 N ATOM 1134 CA THR A 72 6.669 -0.322 10.713 1.00 32.43 C ATOM 1135 C THR A 72 5.377 0.384 11.110 1.00 24.44 C ATOM 1136 O THR A 72 5.350 1.604 11.267 1.00 61.02 O ATOM 1137 CB THR A 72 7.591 0.683 9.998 1.00 21.11 C ATOM 1138 OG1 THR A 72 8.017 1.696 10.916 1.00 11.01 O ATOM 1139 CG2 THR A 72 6.878 1.327 8.819 1.00 41.22 C ATOM 0 H THR A 72 5.413 -1.613 9.643 1.00 71.55 H new ATOM 0 HA THR A 72 7.170 -0.689 11.609 1.00 32.43 H new ATOM 0 HB THR A 72 8.461 0.143 9.625 1.00 21.11 H new ATOM 0 HG1 THR A 72 7.232 2.142 11.298 1.00 11.01 H new ATOM 0 HG21 THR A 72 7.549 2.033 8.330 1.00 41.22 H new ATOM 0 HG22 THR A 72 6.581 0.556 8.108 1.00 41.22 H new ATOM 0 HG23 THR A 72 5.992 1.854 9.173 1.00 41.22 H new ATOM 1147 N GLN A 73 4.310 -0.392 11.272 1.00 2.24 N ATOM 1148 CA GLN A 73 3.015 0.161 11.652 1.00 43.04 C ATOM 1149 C GLN A 73 2.627 1.316 10.734 1.00 34.41 C ATOM 1150 O GLN A 73 3.199 1.487 9.659 1.00 41.12 O ATOM 1151 CB GLN A 73 3.046 0.637 13.105 1.00 42.10 C ATOM 1152 CG GLN A 73 1.794 0.278 13.889 1.00 4.44 C ATOM 1153 CD GLN A 73 1.082 1.498 14.441 1.00 21.41 C ATOM 1154 OE1 GLN A 73 0.079 1.948 13.887 1.00 11.33 O ATOM 1155 NE2 GLN A 73 1.598 2.039 15.538 1.00 31.25 N ATOM 0 H GLN A 73 4.316 -1.404 11.146 1.00 2.24 H new ATOM 0 HA GLN A 73 2.268 -0.626 11.552 1.00 43.04 H new ATOM 0 HB2 GLN A 73 3.913 0.203 13.603 1.00 42.10 H new ATOM 0 HB3 GLN A 73 3.177 1.719 13.122 1.00 42.10 H new ATOM 0 HG2 GLN A 73 1.112 -0.275 13.244 1.00 4.44 H new ATOM 0 HG3 GLN A 73 2.062 -0.385 14.712 1.00 4.44 H new ATOM 0 HE21 GLN A 73 2.431 1.633 15.964 1.00 31.25 H new ATOM 0 HE22 GLN A 73 1.161 2.861 15.955 1.00 31.25 H new ATOM 1164 N GLY A 74 1.648 2.106 11.167 1.00 64.53 N ATOM 1165 CA GLY A 74 1.199 3.234 10.372 1.00 65.32 C ATOM 1166 C GLY A 74 2.249 4.323 10.267 1.00 75.24 C ATOM 1167 O GLY A 74 2.087 5.277 9.506 1.00 21.24 O ATOM 0 H GLY A 74 1.159 1.985 12.054 1.00 64.53 H new ATOM 0 HA2 GLY A 74 0.937 2.889 9.372 1.00 65.32 H new ATOM 0 HA3 GLY A 74 0.293 3.648 10.814 1.00 65.32 H new ATOM 1171 N GLU A 75 3.326 4.181 11.033 1.00 55.10 N ATOM 1172 CA GLU A 75 4.403 5.163 11.024 1.00 65.04 C ATOM 1173 C GLU A 75 4.955 5.352 9.613 1.00 24.44 C ATOM 1174 O GLU A 75 5.496 6.406 9.283 1.00 1.51 O ATOM 1175 CB GLU A 75 5.526 4.730 11.969 1.00 61.23 C ATOM 1176 CG GLU A 75 6.237 5.892 12.642 1.00 63.32 C ATOM 1177 CD GLU A 75 5.744 6.138 14.054 1.00 1.24 C ATOM 1178 OE1 GLU A 75 4.633 6.688 14.207 1.00 41.03 O ATOM 1179 OE2 GLU A 75 6.468 5.782 15.007 1.00 25.10 O ATOM 0 H GLU A 75 3.476 3.396 11.667 1.00 55.10 H new ATOM 0 HA GLU A 75 3.996 6.114 11.367 1.00 65.04 H new ATOM 0 HB2 GLU A 75 5.112 4.075 12.736 1.00 61.23 H new ATOM 0 HB3 GLU A 75 6.255 4.144 11.409 1.00 61.23 H new ATOM 0 HG2 GLU A 75 7.309 5.693 12.665 1.00 63.32 H new ATOM 0 HG3 GLU A 75 6.093 6.795 12.048 1.00 63.32 H new ATOM 1186 N ALA A 76 4.815 4.321 8.787 1.00 71.44 N ATOM 1187 CA ALA A 76 5.298 4.372 7.412 1.00 15.32 C ATOM 1188 C ALA A 76 4.567 5.446 6.614 1.00 54.42 C ATOM 1189 O ALA A 76 5.004 5.832 5.529 1.00 14.24 O ATOM 1190 CB ALA A 76 5.136 3.015 6.745 1.00 65.51 C ATOM 0 H ALA A 76 4.371 3.440 9.046 1.00 71.44 H new ATOM 0 HA ALA A 76 6.357 4.629 7.434 1.00 15.32 H new ATOM 0 HB1 ALA A 76 5.501 3.068 5.719 1.00 65.51 H new ATOM 0 HB2 ALA A 76 5.708 2.268 7.295 1.00 65.51 H new ATOM 0 HB3 ALA A 76 4.083 2.735 6.742 1.00 65.51 H new ATOM 1196 N ARG A 77 3.452 5.925 7.156 1.00 33.35 N ATOM 1197 CA ARG A 77 2.659 6.953 6.493 1.00 22.01 C ATOM 1198 C ARG A 77 3.431 8.267 6.413 1.00 62.24 C ATOM 1199 O ARG A 77 3.132 9.124 5.582 1.00 12.12 O ATOM 1200 CB ARG A 77 1.340 7.169 7.237 1.00 51.13 C ATOM 1201 CG ARG A 77 0.514 8.322 6.690 1.00 43.21 C ATOM 1202 CD ARG A 77 -0.722 8.573 7.538 1.00 14.33 C ATOM 1203 NE ARG A 77 -0.497 9.612 8.540 1.00 32.22 N ATOM 1204 CZ ARG A 77 -1.256 9.769 9.619 1.00 21.11 C ATOM 1205 NH1 ARG A 77 -2.283 8.959 9.835 1.00 72.11 N ATOM 1206 NH2 ARG A 77 -0.987 10.738 10.485 1.00 33.53 N ATOM 0 H ARG A 77 3.077 5.617 8.053 1.00 33.35 H new ATOM 0 HA ARG A 77 2.445 6.614 5.479 1.00 22.01 H new ATOM 0 HB2 ARG A 77 0.750 6.254 7.186 1.00 51.13 H new ATOM 0 HB3 ARG A 77 1.553 7.353 8.290 1.00 51.13 H new ATOM 0 HG2 ARG A 77 1.124 9.225 6.658 1.00 43.21 H new ATOM 0 HG3 ARG A 77 0.215 8.103 5.665 1.00 43.21 H new ATOM 0 HD2 ARG A 77 -1.551 8.865 6.893 1.00 14.33 H new ATOM 0 HD3 ARG A 77 -1.015 7.648 8.035 1.00 14.33 H new ATOM 0 HE ARG A 77 0.286 10.252 8.404 1.00 32.22 H new ATOM 0 HH11 ARG A 77 -2.492 8.213 9.172 1.00 72.11 H new ATOM 0 HH12 ARG A 77 -2.864 9.082 10.664 1.00 72.11 H new ATOM 0 HH21 ARG A 77 -0.197 11.363 10.322 1.00 33.53 H new ATOM 0 HH22 ARG A 77 -1.570 10.858 11.313 1.00 33.53 H new ATOM 1220 N ALA A 78 4.425 8.417 7.282 1.00 44.14 N ATOM 1221 CA ALA A 78 5.241 9.625 7.308 1.00 71.11 C ATOM 1222 C ALA A 78 6.663 9.338 6.837 1.00 33.45 C ATOM 1223 O ALA A 78 7.378 10.241 6.405 1.00 43.35 O ATOM 1224 CB ALA A 78 5.256 10.221 8.708 1.00 64.13 C ATOM 0 H ALA A 78 4.685 7.717 7.977 1.00 44.14 H new ATOM 0 HA ALA A 78 4.799 10.348 6.622 1.00 71.11 H new ATOM 0 HB1 ALA A 78 5.869 11.122 8.713 1.00 64.13 H new ATOM 0 HB2 ALA A 78 4.238 10.472 9.007 1.00 64.13 H new ATOM 0 HB3 ALA A 78 5.671 9.496 9.408 1.00 64.13 H new ATOM 1230 N TYR A 79 7.066 8.075 6.926 1.00 42.12 N ATOM 1231 CA TYR A 79 8.404 7.670 6.512 1.00 23.30 C ATOM 1232 C TYR A 79 8.441 7.353 5.020 1.00 13.10 C ATOM 1233 O TYR A 79 9.448 7.581 4.350 1.00 12.10 O ATOM 1234 CB TYR A 79 8.862 6.451 7.315 1.00 75.53 C ATOM 1235 CG TYR A 79 10.124 5.812 6.780 1.00 11.54 C ATOM 1236 CD1 TYR A 79 11.213 6.590 6.404 1.00 32.54 C ATOM 1237 CD2 TYR A 79 10.228 4.433 6.650 1.00 14.15 C ATOM 1238 CE1 TYR A 79 12.368 6.011 5.915 1.00 40.20 C ATOM 1239 CE2 TYR A 79 11.379 3.846 6.164 1.00 43.15 C ATOM 1240 CZ TYR A 79 12.447 4.639 5.797 1.00 54.21 C ATOM 1241 OH TYR A 79 13.595 4.058 5.310 1.00 2.40 O ATOM 0 H TYR A 79 6.486 7.315 7.281 1.00 42.12 H new ATOM 0 HA TYR A 79 9.083 8.501 6.705 1.00 23.30 H new ATOM 0 HB2 TYR A 79 9.027 6.750 8.350 1.00 75.53 H new ATOM 0 HB3 TYR A 79 8.063 5.709 7.320 1.00 75.53 H new ATOM 0 HD1 TYR A 79 11.155 7.665 6.496 1.00 32.54 H new ATOM 0 HD2 TYR A 79 9.394 3.809 6.934 1.00 14.15 H new ATOM 0 HE1 TYR A 79 13.205 6.630 5.627 1.00 40.20 H new ATOM 0 HE2 TYR A 79 11.443 2.772 6.072 1.00 43.15 H new ATOM 0 HH TYR A 79 13.487 3.084 5.292 1.00 2.40 H new ATOM 1251 N SER A 80 7.334 6.827 4.506 1.00 34.43 N ATOM 1252 CA SER A 80 7.238 6.475 3.094 1.00 2.23 C ATOM 1253 C SER A 80 8.239 5.380 2.738 1.00 31.13 C ATOM 1254 O SER A 80 8.660 4.606 3.597 1.00 3.24 O ATOM 1255 CB SER A 80 7.483 7.708 2.222 1.00 12.35 C ATOM 1256 OG SER A 80 7.257 8.902 2.952 1.00 34.22 O ATOM 0 H SER A 80 6.491 6.635 5.046 1.00 34.43 H new ATOM 0 HA SER A 80 6.232 6.099 2.906 1.00 2.23 H new ATOM 0 HB2 SER A 80 8.507 7.695 1.848 1.00 12.35 H new ATOM 0 HB3 SER A 80 6.826 7.679 1.353 1.00 12.35 H new ATOM 0 HG SER A 80 8.116 9.280 3.235 1.00 34.22 H new ATOM 1262 N MET A 81 8.614 5.322 1.465 1.00 65.42 N ATOM 1263 CA MET A 81 9.567 4.322 0.994 1.00 14.32 C ATOM 1264 C MET A 81 10.930 4.953 0.729 1.00 20.32 C ATOM 1265 O MET A 81 11.181 6.097 1.109 1.00 60.32 O ATOM 1266 CB MET A 81 9.046 3.650 -0.278 1.00 44.40 C ATOM 1267 CG MET A 81 7.636 4.074 -0.656 1.00 22.22 C ATOM 1268 SD MET A 81 6.402 3.520 0.536 1.00 11.03 S ATOM 1269 CE MET A 81 5.374 4.981 0.663 1.00 2.53 C ATOM 0 H MET A 81 8.273 5.955 0.741 1.00 65.42 H new ATOM 0 HA MET A 81 9.681 3.569 1.773 1.00 14.32 H new ATOM 0 HB2 MET A 81 9.720 3.881 -1.103 1.00 44.40 H new ATOM 0 HB3 MET A 81 9.067 2.569 -0.143 1.00 44.40 H new ATOM 0 HG2 MET A 81 7.596 5.160 -0.736 1.00 22.22 H new ATOM 0 HG3 MET A 81 7.391 3.673 -1.640 1.00 22.22 H new ATOM 0 HE1 MET A 81 4.895 5.005 1.642 1.00 2.53 H new ATOM 0 HE2 MET A 81 5.990 5.871 0.539 1.00 2.53 H new ATOM 0 HE3 MET A 81 4.610 4.957 -0.114 1.00 2.53 H new ATOM 1279 N LYS A 82 11.808 4.199 0.076 1.00 42.51 N ATOM 1280 CA LYS A 82 13.146 4.684 -0.241 1.00 44.11 C ATOM 1281 C LYS A 82 13.087 6.069 -0.877 1.00 10.53 C ATOM 1282 O LYS A 82 12.740 6.209 -2.049 1.00 2.40 O ATOM 1283 CB LYS A 82 13.854 3.709 -1.184 1.00 63.32 C ATOM 1284 CG LYS A 82 14.721 2.689 -0.466 1.00 3.21 C ATOM 1285 CD LYS A 82 15.526 1.852 -1.446 1.00 51.00 C ATOM 1286 CE LYS A 82 15.584 0.394 -1.017 1.00 3.01 C ATOM 1287 NZ LYS A 82 14.381 -0.363 -1.460 1.00 33.15 N ATOM 0 H LYS A 82 11.617 3.250 -0.244 1.00 42.51 H new ATOM 0 HA LYS A 82 13.709 4.754 0.690 1.00 44.11 H new ATOM 0 HB2 LYS A 82 13.106 3.184 -1.778 1.00 63.32 H new ATOM 0 HB3 LYS A 82 14.474 4.275 -1.880 1.00 63.32 H new ATOM 0 HG2 LYS A 82 15.398 3.202 0.217 1.00 3.21 H new ATOM 0 HG3 LYS A 82 14.091 2.037 0.139 1.00 3.21 H new ATOM 0 HD2 LYS A 82 15.081 1.923 -2.438 1.00 51.00 H new ATOM 0 HD3 LYS A 82 16.538 2.251 -1.521 1.00 51.00 H new ATOM 0 HE2 LYS A 82 16.479 -0.071 -1.431 1.00 3.01 H new ATOM 0 HE3 LYS A 82 15.669 0.338 0.068 1.00 3.01 H new ATOM 0 HZ1 LYS A 82 14.459 -1.352 -1.148 1.00 33.15 H new ATOM 0 HZ2 LYS A 82 13.529 0.065 -1.044 1.00 33.15 H new ATOM 0 HZ3 LYS A 82 14.313 -0.331 -2.497 1.00 33.15 H new ATOM 1301 N GLU A 83 13.429 7.089 -0.095 1.00 52.35 N ATOM 1302 CA GLU A 83 13.415 8.463 -0.584 1.00 15.20 C ATOM 1303 C GLU A 83 14.441 8.656 -1.696 1.00 63.23 C ATOM 1304 O GLU A 83 14.223 9.427 -2.631 1.00 13.14 O ATOM 1305 CB GLU A 83 13.698 9.438 0.561 1.00 73.01 C ATOM 1306 CG GLU A 83 12.482 9.733 1.424 1.00 63.02 C ATOM 1307 CD GLU A 83 12.836 10.486 2.692 1.00 71.32 C ATOM 1308 OE1 GLU A 83 12.925 11.730 2.638 1.00 10.05 O ATOM 1309 OE2 GLU A 83 13.023 9.829 3.738 1.00 42.52 O ATOM 0 H GLU A 83 13.719 6.990 0.878 1.00 52.35 H new ATOM 0 HA GLU A 83 12.424 8.667 -0.989 1.00 15.20 H new ATOM 0 HB2 GLU A 83 14.488 9.027 1.190 1.00 73.01 H new ATOM 0 HB3 GLU A 83 14.074 10.373 0.146 1.00 73.01 H new ATOM 0 HG2 GLU A 83 11.765 10.317 0.847 1.00 63.02 H new ATOM 0 HG3 GLU A 83 11.992 8.796 1.687 1.00 63.02 H new ATOM 1316 N ASP A 84 15.561 7.950 -1.588 1.00 24.01 N ATOM 1317 CA ASP A 84 16.623 8.042 -2.584 1.00 14.11 C ATOM 1318 C ASP A 84 16.100 7.676 -3.970 1.00 25.03 C ATOM 1319 O ASP A 84 16.686 8.052 -4.986 1.00 23.03 O ATOM 1320 CB ASP A 84 17.787 7.126 -2.206 1.00 23.34 C ATOM 1321 CG ASP A 84 19.034 7.900 -1.827 1.00 1.43 C ATOM 1322 OD1 ASP A 84 19.713 8.416 -2.739 1.00 51.35 O ATOM 1323 OD2 ASP A 84 19.331 7.992 -0.617 1.00 73.32 O ATOM 0 H ASP A 84 15.757 7.307 -0.821 1.00 24.01 H new ATOM 0 HA ASP A 84 16.976 9.073 -2.609 1.00 14.11 H new ATOM 0 HB2 ASP A 84 17.490 6.491 -1.371 1.00 23.34 H new ATOM 0 HB3 ASP A 84 18.013 6.466 -3.044 1.00 23.34 H new ATOM 1328 N THR A 85 14.995 6.939 -4.004 1.00 73.43 N ATOM 1329 CA THR A 85 14.395 6.519 -5.265 1.00 13.54 C ATOM 1330 C THR A 85 13.018 7.145 -5.453 1.00 15.42 C ATOM 1331 O THR A 85 12.292 6.802 -6.386 1.00 14.10 O ATOM 1332 CB THR A 85 14.264 4.987 -5.342 1.00 64.44 C ATOM 1333 OG1 THR A 85 13.656 4.485 -4.147 1.00 51.41 O ATOM 1334 CG2 THR A 85 15.626 4.337 -5.535 1.00 63.12 C ATOM 0 H THR A 85 14.497 6.620 -3.173 1.00 73.43 H new ATOM 0 HA THR A 85 15.058 6.860 -6.060 1.00 13.54 H new ATOM 0 HB THR A 85 13.636 4.741 -6.198 1.00 64.44 H new ATOM 0 HG1 THR A 85 13.275 5.230 -3.636 1.00 51.41 H new ATOM 0 HG21 THR A 85 15.509 3.255 -5.587 1.00 63.12 H new ATOM 0 HG22 THR A 85 16.073 4.698 -6.461 1.00 63.12 H new ATOM 0 HG23 THR A 85 16.273 4.592 -4.696 1.00 63.12 H new ATOM 1342 N ARG A 86 12.664 8.066 -4.561 1.00 60.45 N ATOM 1343 CA ARG A 86 11.373 8.739 -4.630 1.00 11.22 C ATOM 1344 C ARG A 86 11.215 9.479 -5.955 1.00 60.11 C ATOM 1345 O ARG A 86 12.009 10.362 -6.284 1.00 74.41 O ATOM 1346 CB ARG A 86 11.223 9.720 -3.465 1.00 70.22 C ATOM 1347 CG ARG A 86 9.849 9.690 -2.817 1.00 34.11 C ATOM 1348 CD ARG A 86 9.919 10.065 -1.345 1.00 13.01 C ATOM 1349 NE ARG A 86 9.439 11.423 -1.103 1.00 34.24 N ATOM 1350 CZ ARG A 86 8.169 11.789 -1.240 1.00 61.10 C ATOM 1351 NH1 ARG A 86 7.257 10.903 -1.616 1.00 21.24 N ATOM 1352 NH2 ARG A 86 7.810 13.044 -1.001 1.00 74.40 N ATOM 0 H ARG A 86 13.253 8.362 -3.783 1.00 60.45 H new ATOM 0 HA ARG A 86 10.592 7.981 -4.562 1.00 11.22 H new ATOM 0 HB2 ARG A 86 11.976 9.493 -2.711 1.00 70.22 H new ATOM 0 HB3 ARG A 86 11.425 10.730 -3.823 1.00 70.22 H new ATOM 0 HG2 ARG A 86 9.185 10.379 -3.338 1.00 34.11 H new ATOM 0 HG3 ARG A 86 9.419 8.694 -2.920 1.00 34.11 H new ATOM 0 HD2 ARG A 86 9.324 9.361 -0.763 1.00 13.01 H new ATOM 0 HD3 ARG A 86 10.948 9.977 -0.997 1.00 13.01 H new ATOM 0 HE ARG A 86 10.116 12.129 -0.813 1.00 34.24 H new ATOM 0 HH11 ARG A 86 7.530 9.938 -1.801 1.00 21.24 H new ATOM 0 HH12 ARG A 86 6.283 11.187 -1.720 1.00 21.24 H new ATOM 0 HH21 ARG A 86 8.509 13.728 -0.712 1.00 74.40 H new ATOM 0 HH22 ARG A 86 6.835 13.324 -1.106 1.00 74.40 H new ATOM 1366 N LEU A 87 10.187 9.113 -6.712 1.00 35.21 N ATOM 1367 CA LEU A 87 9.924 9.741 -8.002 1.00 63.23 C ATOM 1368 C LEU A 87 8.698 10.644 -7.929 1.00 14.42 C ATOM 1369 O LEU A 87 8.695 11.748 -8.472 1.00 42.35 O ATOM 1370 CB LEU A 87 9.722 8.674 -9.079 1.00 61.34 C ATOM 1371 CG LEU A 87 10.599 8.803 -10.325 1.00 62.22 C ATOM 1372 CD1 LEU A 87 10.159 7.813 -11.393 1.00 2.03 C ATOM 1373 CD2 LEU A 87 10.555 10.225 -10.864 1.00 12.44 C ATOM 0 H LEU A 87 9.521 8.384 -6.455 1.00 35.21 H new ATOM 0 HA LEU A 87 10.788 10.353 -8.263 1.00 63.23 H new ATOM 0 HB2 LEU A 87 9.902 7.696 -8.632 1.00 61.34 H new ATOM 0 HB3 LEU A 87 8.678 8.694 -9.391 1.00 61.34 H new ATOM 0 HG LEU A 87 11.627 8.573 -10.046 1.00 62.22 H new ATOM 0 HD11 LEU A 87 10.795 7.920 -12.272 1.00 2.03 H new ATOM 0 HD12 LEU A 87 10.244 6.798 -11.005 1.00 2.03 H new ATOM 0 HD13 LEU A 87 9.123 8.011 -11.668 1.00 2.03 H new ATOM 0 HD21 LEU A 87 11.185 10.298 -11.751 1.00 12.44 H new ATOM 0 HD22 LEU A 87 9.529 10.483 -11.126 1.00 12.44 H new ATOM 0 HD23 LEU A 87 10.920 10.914 -10.102 1.00 12.44 H new ATOM 1385 N GLU A 88 7.658 10.168 -7.251 1.00 52.21 N ATOM 1386 CA GLU A 88 6.426 10.935 -7.106 1.00 31.44 C ATOM 1387 C GLU A 88 5.752 10.633 -5.770 1.00 3.42 C ATOM 1388 O GLU A 88 6.193 9.761 -5.023 1.00 32.40 O ATOM 1389 CB GLU A 88 5.466 10.622 -8.255 1.00 52.33 C ATOM 1390 CG GLU A 88 4.832 11.858 -8.872 1.00 32.14 C ATOM 1391 CD GLU A 88 5.854 12.792 -9.490 1.00 22.50 C ATOM 1392 OE1 GLU A 88 6.715 12.307 -10.254 1.00 51.42 O ATOM 1393 OE2 GLU A 88 5.793 14.007 -9.209 1.00 50.03 O ATOM 0 H GLU A 88 7.644 9.256 -6.794 1.00 52.21 H new ATOM 0 HA GLU A 88 6.682 11.994 -7.134 1.00 31.44 H new ATOM 0 HB2 GLU A 88 6.005 10.075 -9.029 1.00 52.33 H new ATOM 0 HB3 GLU A 88 4.678 9.963 -7.890 1.00 52.33 H new ATOM 0 HG2 GLU A 88 4.117 11.552 -9.635 1.00 32.14 H new ATOM 0 HG3 GLU A 88 4.271 12.395 -8.107 1.00 32.14 H new ATOM 1400 N GLY A 89 4.681 11.364 -5.476 1.00 33.31 N ATOM 1401 CA GLY A 89 3.964 11.161 -4.231 1.00 34.13 C ATOM 1402 C GLY A 89 4.489 12.036 -3.110 1.00 12.10 C ATOM 1403 O GLY A 89 5.298 12.939 -3.326 1.00 31.35 O ATOM 0 H GLY A 89 4.297 12.093 -6.078 1.00 33.31 H new ATOM 0 HA2 GLY A 89 2.906 11.371 -4.386 1.00 34.13 H new ATOM 0 HA3 GLY A 89 4.041 10.114 -3.937 1.00 34.13 H new ATOM 1407 N PRO A 90 4.023 11.773 -1.880 1.00 72.51 N ATOM 1408 CA PRO A 90 3.059 10.701 -1.612 1.00 11.34 C ATOM 1409 C PRO A 90 1.676 11.011 -2.176 1.00 23.44 C ATOM 1410 O PRO A 90 1.430 12.110 -2.673 1.00 25.50 O ATOM 1411 CB PRO A 90 3.012 10.642 -0.083 1.00 34.42 C ATOM 1412 CG PRO A 90 3.412 12.006 0.362 1.00 33.01 C ATOM 1413 CD PRO A 90 4.401 12.500 -0.657 1.00 54.41 C ATOM 0 HA PRO A 90 3.353 9.761 -2.080 1.00 11.34 H new ATOM 0 HB2 PRO A 90 2.014 10.387 0.273 1.00 34.42 H new ATOM 0 HB3 PRO A 90 3.692 9.884 0.305 1.00 34.42 H new ATOM 0 HG2 PRO A 90 2.547 12.667 0.419 1.00 33.01 H new ATOM 0 HG3 PRO A 90 3.858 11.977 1.356 1.00 33.01 H new ATOM 0 HD2 PRO A 90 4.332 13.579 -0.794 1.00 54.41 H new ATOM 0 HD3 PRO A 90 5.427 12.281 -0.360 1.00 54.41 H new ATOM 1421 N TRP A 91 0.778 10.036 -2.094 1.00 60.04 N ATOM 1422 CA TRP A 91 -0.581 10.205 -2.597 1.00 3.30 C ATOM 1423 C TRP A 91 -1.590 9.531 -1.674 1.00 53.53 C ATOM 1424 O TRP A 91 -1.384 8.401 -1.235 1.00 61.21 O ATOM 1425 CB TRP A 91 -0.699 9.631 -4.010 1.00 33.35 C ATOM 1426 CG TRP A 91 -0.072 10.498 -5.058 1.00 52.54 C ATOM 1427 CD1 TRP A 91 -0.103 11.862 -5.119 1.00 40.54 C ATOM 1428 CD2 TRP A 91 0.677 10.061 -6.197 1.00 61.31 C ATOM 1429 NE1 TRP A 91 0.582 12.299 -6.228 1.00 21.03 N ATOM 1430 CE2 TRP A 91 1.071 11.213 -6.905 1.00 11.22 C ATOM 1431 CE3 TRP A 91 1.055 8.808 -6.687 1.00 25.33 C ATOM 1432 CZ2 TRP A 91 1.822 11.147 -8.075 1.00 44.31 C ATOM 1433 CZ3 TRP A 91 1.801 8.744 -7.848 1.00 60.04 C ATOM 1434 CH2 TRP A 91 2.179 9.908 -8.532 1.00 32.53 C ATOM 0 H TRP A 91 0.966 9.121 -1.684 1.00 60.04 H new ATOM 0 HA TRP A 91 -0.801 11.272 -2.627 1.00 3.30 H new ATOM 0 HB2 TRP A 91 -0.231 8.647 -4.035 1.00 33.35 H new ATOM 0 HB3 TRP A 91 -1.753 9.488 -4.250 1.00 33.35 H new ATOM 0 HD1 TRP A 91 -0.594 12.503 -4.402 1.00 40.54 H new ATOM 0 HE1 TRP A 91 0.706 13.274 -6.502 1.00 21.03 H new ATOM 0 HE3 TRP A 91 0.769 7.906 -6.167 1.00 25.33 H new ATOM 0 HZ2 TRP A 91 2.113 12.043 -8.604 1.00 44.31 H new ATOM 0 HZ3 TRP A 91 2.098 7.781 -8.235 1.00 60.04 H new ATOM 0 HH2 TRP A 91 2.763 9.825 -9.437 1.00 32.53 H new ATOM 1445 N GLU A 92 -2.682 10.233 -1.385 1.00 42.20 N ATOM 1446 CA GLU A 92 -3.723 9.701 -0.513 1.00 64.25 C ATOM 1447 C GLU A 92 -5.050 9.589 -1.257 1.00 54.02 C ATOM 1448 O GLU A 92 -5.435 10.490 -2.003 1.00 4.53 O ATOM 1449 CB GLU A 92 -3.890 10.590 0.720 1.00 2.23 C ATOM 1450 CG GLU A 92 -2.878 10.305 1.818 1.00 50.44 C ATOM 1451 CD GLU A 92 -1.698 11.257 1.784 1.00 21.01 C ATOM 1452 OE1 GLU A 92 -1.477 11.893 0.732 1.00 33.24 O ATOM 1453 OE2 GLU A 92 -0.995 11.366 2.811 1.00 60.43 O ATOM 0 H GLU A 92 -2.868 11.170 -1.742 1.00 42.20 H new ATOM 0 HA GLU A 92 -3.420 8.704 -0.194 1.00 64.25 H new ATOM 0 HB2 GLU A 92 -3.803 11.634 0.419 1.00 2.23 H new ATOM 0 HB3 GLU A 92 -4.895 10.457 1.120 1.00 2.23 H new ATOM 0 HG2 GLU A 92 -3.370 10.376 2.788 1.00 50.44 H new ATOM 0 HG3 GLU A 92 -2.517 9.281 1.718 1.00 50.44 H new ATOM 1460 N TYR A 93 -5.746 8.477 -1.049 1.00 72.22 N ATOM 1461 CA TYR A 93 -7.029 8.245 -1.702 1.00 33.34 C ATOM 1462 C TYR A 93 -8.004 7.551 -0.755 1.00 52.00 C ATOM 1463 O TYR A 93 -7.602 6.970 0.252 1.00 13.33 O ATOM 1464 CB TYR A 93 -6.839 7.401 -2.963 1.00 44.22 C ATOM 1465 CG TYR A 93 -6.075 8.113 -4.058 1.00 34.54 C ATOM 1466 CD1 TYR A 93 -6.716 9.000 -4.914 1.00 3.45 C ATOM 1467 CD2 TYR A 93 -4.715 7.896 -4.237 1.00 2.34 C ATOM 1468 CE1 TYR A 93 -6.023 9.652 -5.915 1.00 41.24 C ATOM 1469 CE2 TYR A 93 -4.014 8.545 -5.235 1.00 24.34 C ATOM 1470 CZ TYR A 93 -4.672 9.421 -6.072 1.00 0.45 C ATOM 1471 OH TYR A 93 -3.977 10.068 -7.068 1.00 14.31 O ATOM 0 H TYR A 93 -5.443 7.722 -0.433 1.00 72.22 H new ATOM 0 HA TYR A 93 -7.446 9.213 -1.980 1.00 33.34 H new ATOM 0 HB2 TYR A 93 -6.312 6.484 -2.700 1.00 44.22 H new ATOM 0 HB3 TYR A 93 -7.817 7.108 -3.345 1.00 44.22 H new ATOM 0 HD1 TYR A 93 -7.774 9.183 -4.795 1.00 3.45 H new ATOM 0 HD2 TYR A 93 -4.197 7.208 -3.585 1.00 2.34 H new ATOM 0 HE1 TYR A 93 -6.536 10.339 -6.571 1.00 41.24 H new ATOM 0 HE2 TYR A 93 -2.956 8.367 -5.359 1.00 24.34 H new ATOM 0 HH TYR A 93 -3.036 9.795 -7.041 1.00 14.31 H new ATOM 1481 N GLY A 94 -9.290 7.616 -1.088 1.00 1.11 N ATOM 1482 CA GLY A 94 -10.303 6.990 -0.259 1.00 14.31 C ATOM 1483 C GLY A 94 -10.918 7.956 0.735 1.00 45.54 C ATOM 1484 O GLY A 94 -10.987 9.158 0.479 1.00 40.11 O ATOM 0 H GLY A 94 -9.648 8.091 -1.917 1.00 1.11 H new ATOM 0 HA2 GLY A 94 -11.087 6.581 -0.896 1.00 14.31 H new ATOM 0 HA3 GLY A 94 -9.860 6.152 0.280 1.00 14.31 H new ATOM 1488 N GLU A 95 -11.366 7.430 1.870 1.00 4.22 N ATOM 1489 CA GLU A 95 -11.979 8.255 2.904 1.00 55.32 C ATOM 1490 C GLU A 95 -11.082 9.437 3.261 1.00 72.11 C ATOM 1491 O GLU A 95 -11.412 10.587 2.975 1.00 0.54 O ATOM 1492 CB GLU A 95 -12.262 7.419 4.154 1.00 52.51 C ATOM 1493 CG GLU A 95 -12.695 8.246 5.353 1.00 35.53 C ATOM 1494 CD GLU A 95 -11.547 8.556 6.293 1.00 2.32 C ATOM 1495 OE1 GLU A 95 -10.845 7.609 6.705 1.00 63.25 O ATOM 1496 OE2 GLU A 95 -11.350 9.746 6.618 1.00 71.14 O ATOM 0 H GLU A 95 -11.316 6.437 2.097 1.00 4.22 H new ATOM 0 HA GLU A 95 -12.920 8.641 2.513 1.00 55.32 H new ATOM 0 HB2 GLU A 95 -13.040 6.691 3.925 1.00 52.51 H new ATOM 0 HB3 GLU A 95 -11.366 6.857 4.416 1.00 52.51 H new ATOM 0 HG2 GLU A 95 -13.137 9.180 5.005 1.00 35.53 H new ATOM 0 HG3 GLU A 95 -13.471 7.710 5.898 1.00 35.53 H new