USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=21 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 22 HIS : no HD1:sc= -7.79! C(o=-20!,f=-25!) USER MOD Set 1.2: A 25 MET CE :methyl -135:sc= -4.26! (180deg=-6.83!) USER MOD Set 1.3: A 48 MET CE :methyl 140:sc= -3.58 (180deg=-1.04) USER MOD Set 1.4: A 57 MET CE :methyl 138:sc= -4.31 (180deg=-6.41!) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= -0.0725 USER MOD Set 2.2: A 43 GLN : amide:sc= -2.88! K(o=-2.9!,f=-1.2) USER MOD Set 3.1: A 9 CYS SG : rot -160:sc= 0.449 USER MOD Set 3.2: A 45 TYR OH : rot -149:sc= -0.261 USER MOD Set 3.3: A 72 THR OG1 : rot 180:sc= 0.646 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 7 CYS SG : rot 176:sc= 0.00387 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 14 ASN : amide:sc= -0.018 K(o=-0.018,f=-1) USER MOD Single : A 17 SER OG : rot 55:sc= 0.94 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -5.71! C(o=-5.7!,f=-12!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.88 USER MOD Single : A 34 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.3!) USER MOD Single : A 39 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.35) USER MOD Single : A 41 HIS : no HD1:sc= -3.59 X(o=-3.6,f=-4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0864 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 45:sc= -0.623! USER MOD Single : A 81 MET CE :methyl -158:sc= -4.61 (180deg=-7.49!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -12.738 -0.965 16.593 1.00 10.25 N ATOM 12 CA ARG A 3 -11.347 -1.319 16.849 1.00 72.40 C ATOM 13 C ARG A 3 -10.443 -0.815 15.728 1.00 2.55 C ATOM 14 O ARG A 3 -10.895 -0.592 14.606 1.00 74.31 O ATOM 15 CB ARG A 3 -11.203 -2.836 16.991 1.00 51.20 C ATOM 16 CG ARG A 3 -11.684 -3.370 18.330 1.00 24.42 C ATOM 17 CD ARG A 3 -10.733 -4.420 18.885 1.00 50.14 C ATOM 18 NE ARG A 3 -9.742 -3.839 19.786 1.00 2.11 N ATOM 19 CZ ARG A 3 -8.847 -4.557 20.455 1.00 23.02 C ATOM 20 NH1 ARG A 3 -8.818 -5.876 20.324 1.00 34.14 N ATOM 21 NH2 ARG A 3 -7.977 -3.956 21.257 1.00 50.42 N ATOM 0 HA ARG A 3 -11.042 -0.842 17.781 1.00 72.40 H new ATOM 0 HB2 ARG A 3 -11.764 -3.322 16.193 1.00 51.20 H new ATOM 0 HB3 ARG A 3 -10.156 -3.107 16.856 1.00 51.20 H new ATOM 0 HG2 ARG A 3 -11.774 -2.548 19.040 1.00 24.42 H new ATOM 0 HG3 ARG A 3 -12.678 -3.802 18.215 1.00 24.42 H new ATOM 0 HD2 ARG A 3 -11.304 -5.181 19.417 1.00 50.14 H new ATOM 0 HD3 ARG A 3 -10.224 -4.920 18.061 1.00 50.14 H new ATOM 0 HE ARG A 3 -9.737 -2.826 19.908 1.00 2.11 H new ATOM 0 HH11 ARG A 3 -9.484 -6.342 19.708 1.00 34.14 H new ATOM 0 HH12 ARG A 3 -8.129 -6.425 20.839 1.00 34.14 H new ATOM 0 HH21 ARG A 3 -7.995 -2.941 21.360 1.00 50.42 H new ATOM 0 HH22 ARG A 3 -7.290 -4.509 21.770 1.00 50.42 H new ATOM 35 N GLN A 4 -9.164 -0.636 16.043 1.00 42.44 N ATOM 36 CA GLN A 4 -8.197 -0.156 15.062 1.00 2.23 C ATOM 37 C GLN A 4 -7.551 -1.321 14.319 1.00 12.24 C ATOM 38 O GLN A 4 -7.518 -2.446 14.817 1.00 22.23 O ATOM 39 CB GLN A 4 -7.120 0.687 15.747 1.00 1.34 C ATOM 40 CG GLN A 4 -7.222 2.172 15.439 1.00 14.32 C ATOM 41 CD GLN A 4 -8.510 2.787 15.951 1.00 73.03 C ATOM 42 OE1 GLN A 4 -9.014 2.410 17.009 1.00 32.01 O ATOM 43 NE2 GLN A 4 -9.051 3.740 15.200 1.00 61.30 N ATOM 0 H GLN A 4 -8.774 -0.816 16.968 1.00 42.44 H new ATOM 0 HA GLN A 4 -8.728 0.463 14.339 1.00 2.23 H new ATOM 0 HB2 GLN A 4 -7.189 0.543 16.825 1.00 1.34 H new ATOM 0 HB3 GLN A 4 -6.138 0.327 15.439 1.00 1.34 H new ATOM 0 HG2 GLN A 4 -6.374 2.691 15.885 1.00 14.32 H new ATOM 0 HG3 GLN A 4 -7.156 2.321 14.361 1.00 14.32 H new ATOM 0 HE21 GLN A 4 -8.599 4.022 14.330 1.00 61.30 H new ATOM 0 HE22 GLN A 4 -9.918 4.190 15.493 1.00 61.30 H new ATOM 52 N VAL A 5 -7.039 -1.043 13.124 1.00 33.34 N ATOM 53 CA VAL A 5 -6.394 -2.068 12.313 1.00 62.05 C ATOM 54 C VAL A 5 -5.021 -1.608 11.836 1.00 2.41 C ATOM 55 O VAL A 5 -4.740 -0.410 11.786 1.00 43.22 O ATOM 56 CB VAL A 5 -7.252 -2.438 11.088 1.00 14.34 C ATOM 57 CG1 VAL A 5 -8.624 -2.929 11.527 1.00 64.44 C ATOM 58 CG2 VAL A 5 -7.379 -1.249 10.148 1.00 2.41 C ATOM 0 H VAL A 5 -7.059 -0.117 12.697 1.00 33.34 H new ATOM 0 HA VAL A 5 -6.280 -2.947 12.947 1.00 62.05 H new ATOM 0 HB VAL A 5 -6.757 -3.246 10.550 1.00 14.34 H new ATOM 0 HG11 VAL A 5 -9.217 -3.186 10.649 1.00 64.44 H new ATOM 0 HG12 VAL A 5 -8.510 -3.810 12.158 1.00 64.44 H new ATOM 0 HG13 VAL A 5 -9.129 -2.143 12.088 1.00 64.44 H new ATOM 0 HG21 VAL A 5 -7.988 -1.528 9.288 1.00 2.41 H new ATOM 0 HG22 VAL A 5 -7.851 -0.419 10.673 1.00 2.41 H new ATOM 0 HG23 VAL A 5 -6.389 -0.947 9.808 1.00 2.41 H new ATOM 68 N ILE A 6 -4.170 -2.566 11.487 1.00 24.30 N ATOM 69 CA ILE A 6 -2.826 -2.259 11.013 1.00 51.13 C ATOM 70 C ILE A 6 -2.817 -2.015 9.507 1.00 22.54 C ATOM 71 O ILE A 6 -3.632 -2.575 8.773 1.00 64.22 O ATOM 72 CB ILE A 6 -1.839 -3.393 11.344 1.00 23.50 C ATOM 73 CG1 ILE A 6 -1.930 -3.762 12.826 1.00 11.12 C ATOM 74 CG2 ILE A 6 -0.419 -2.983 10.981 1.00 34.21 C ATOM 75 CD1 ILE A 6 -2.953 -4.837 13.120 1.00 53.32 C ATOM 0 H ILE A 6 -4.387 -3.562 11.523 1.00 24.30 H new ATOM 0 HA ILE A 6 -2.509 -1.352 11.528 1.00 51.13 H new ATOM 0 HB ILE A 6 -2.105 -4.270 10.754 1.00 23.50 H new ATOM 0 HG12 ILE A 6 -0.952 -4.099 13.169 1.00 11.12 H new ATOM 0 HG13 ILE A 6 -2.178 -2.869 13.400 1.00 11.12 H new ATOM 0 HG21 ILE A 6 0.267 -3.795 11.221 1.00 34.21 H new ATOM 0 HG22 ILE A 6 -0.365 -2.765 9.914 1.00 34.21 H new ATOM 0 HG23 ILE A 6 -0.141 -2.094 11.547 1.00 34.21 H new ATOM 0 HD11 ILE A 6 -2.963 -5.047 14.189 1.00 53.32 H new ATOM 0 HD12 ILE A 6 -3.940 -4.495 12.809 1.00 53.32 H new ATOM 0 HD13 ILE A 6 -2.695 -5.744 12.574 1.00 53.32 H new ATOM 87 N CYS A 7 -1.890 -1.179 9.055 1.00 45.02 N ATOM 88 CA CYS A 7 -1.773 -0.862 7.636 1.00 41.12 C ATOM 89 C CYS A 7 -1.083 -1.994 6.881 1.00 53.53 C ATOM 90 O CYS A 7 -0.356 -2.793 7.470 1.00 74.40 O ATOM 91 CB CYS A 7 -0.996 0.442 7.445 1.00 35.15 C ATOM 92 SG CYS A 7 -1.414 1.731 8.642 1.00 10.25 S ATOM 0 H CYS A 7 -1.208 -0.708 9.650 1.00 45.02 H new ATOM 0 HA CYS A 7 -2.778 -0.740 7.233 1.00 41.12 H new ATOM 0 HB2 CYS A 7 0.071 0.230 7.513 1.00 35.15 H new ATOM 0 HB3 CYS A 7 -1.183 0.820 6.440 1.00 35.15 H new ATOM 0 HG CYS A 7 -0.649 2.764 8.452 1.00 10.25 H new ATOM 98 N TRP A 8 -1.318 -2.055 5.575 1.00 4.00 N ATOM 99 CA TRP A 8 -0.720 -3.090 4.739 1.00 31.34 C ATOM 100 C TRP A 8 0.371 -2.508 3.848 1.00 42.11 C ATOM 101 O TRP A 8 0.099 -1.679 2.979 1.00 54.02 O ATOM 102 CB TRP A 8 -1.792 -3.763 3.881 1.00 71.33 C ATOM 103 CG TRP A 8 -2.766 -4.578 4.677 1.00 10.01 C ATOM 104 CD1 TRP A 8 -3.691 -4.111 5.566 1.00 55.50 C ATOM 105 CD2 TRP A 8 -2.909 -6.002 4.658 1.00 70.42 C ATOM 106 NE1 TRP A 8 -4.401 -5.159 6.101 1.00 52.35 N ATOM 107 CE2 TRP A 8 -3.941 -6.330 5.559 1.00 10.30 C ATOM 108 CE3 TRP A 8 -2.267 -7.033 3.966 1.00 55.04 C ATOM 109 CZ2 TRP A 8 -4.343 -7.644 5.785 1.00 43.51 C ATOM 110 CZ3 TRP A 8 -2.667 -8.336 4.191 1.00 31.42 C ATOM 111 CH2 TRP A 8 -3.697 -8.633 5.094 1.00 52.42 C ATOM 0 H TRP A 8 -1.918 -1.401 5.072 1.00 4.00 H new ATOM 0 HA TRP A 8 -0.268 -3.835 5.394 1.00 31.34 H new ATOM 0 HB2 TRP A 8 -2.337 -2.998 3.327 1.00 71.33 H new ATOM 0 HB3 TRP A 8 -1.308 -4.405 3.145 1.00 71.33 H new ATOM 0 HD1 TRP A 8 -3.843 -3.071 5.813 1.00 55.50 H new ATOM 0 HE1 TRP A 8 -5.149 -5.078 6.790 1.00 52.35 H new ATOM 0 HE3 TRP A 8 -1.472 -6.815 3.268 1.00 55.04 H new ATOM 0 HZ2 TRP A 8 -5.136 -7.874 6.481 1.00 43.51 H new ATOM 0 HZ3 TRP A 8 -2.177 -9.140 3.662 1.00 31.42 H new ATOM 0 HH2 TRP A 8 -3.986 -9.662 5.247 1.00 52.42 H new ATOM 122 N CYS A 9 1.606 -2.946 4.068 1.00 34.14 N ATOM 123 CA CYS A 9 2.738 -2.467 3.284 1.00 5.15 C ATOM 124 C CYS A 9 3.097 -3.460 2.184 1.00 24.43 C ATOM 125 O CYS A 9 3.464 -4.603 2.460 1.00 3.24 O ATOM 126 CB CYS A 9 3.948 -2.231 4.190 1.00 43.33 C ATOM 127 SG CYS A 9 4.412 -3.663 5.191 1.00 13.02 S ATOM 0 H CYS A 9 1.848 -3.632 4.783 1.00 34.14 H new ATOM 0 HA CYS A 9 2.453 -1.524 2.817 1.00 5.15 H new ATOM 0 HB2 CYS A 9 4.799 -1.941 3.573 1.00 43.33 H new ATOM 0 HB3 CYS A 9 3.734 -1.392 4.852 1.00 43.33 H new ATOM 0 HG CYS A 9 5.132 -3.272 6.201 1.00 13.02 H new ATOM 133 N PHE A 10 2.988 -3.018 0.936 1.00 73.10 N ATOM 134 CA PHE A 10 3.298 -3.869 -0.207 1.00 30.33 C ATOM 135 C PHE A 10 4.099 -3.102 -1.255 1.00 32.02 C ATOM 136 O PHE A 10 4.157 -1.872 -1.232 1.00 31.14 O ATOM 137 CB PHE A 10 2.010 -4.413 -0.830 1.00 3.45 C ATOM 138 CG PHE A 10 1.433 -3.518 -1.890 1.00 25.54 C ATOM 139 CD1 PHE A 10 0.919 -2.274 -1.561 1.00 24.52 C ATOM 140 CD2 PHE A 10 1.406 -3.922 -3.215 1.00 12.31 C ATOM 141 CE1 PHE A 10 0.387 -1.450 -2.534 1.00 63.33 C ATOM 142 CE2 PHE A 10 0.875 -3.101 -4.193 1.00 24.51 C ATOM 143 CZ PHE A 10 0.366 -1.864 -3.852 1.00 44.31 C ATOM 0 H PHE A 10 2.687 -2.075 0.690 1.00 73.10 H new ATOM 0 HA PHE A 10 3.902 -4.704 0.147 1.00 30.33 H new ATOM 0 HB2 PHE A 10 2.211 -5.393 -1.263 1.00 3.45 H new ATOM 0 HB3 PHE A 10 1.268 -4.557 -0.044 1.00 3.45 H new ATOM 0 HD1 PHE A 10 0.934 -1.945 -0.532 1.00 24.52 H new ATOM 0 HD2 PHE A 10 1.804 -4.888 -3.487 1.00 12.31 H new ATOM 0 HE1 PHE A 10 -0.012 -0.483 -2.265 1.00 63.33 H new ATOM 0 HE2 PHE A 10 0.859 -3.427 -5.222 1.00 24.51 H new ATOM 0 HZ PHE A 10 -0.048 -1.221 -4.614 1.00 44.31 H new ATOM 153 N THR A 11 4.716 -3.837 -2.174 1.00 65.42 N ATOM 154 CA THR A 11 5.516 -3.228 -3.230 1.00 34.22 C ATOM 155 C THR A 11 5.157 -3.807 -4.594 1.00 3.41 C ATOM 156 O THR A 11 5.075 -5.024 -4.761 1.00 63.23 O ATOM 157 CB THR A 11 7.022 -3.428 -2.980 1.00 4.31 C ATOM 158 OG1 THR A 11 7.373 -2.936 -1.682 1.00 1.53 O ATOM 159 CG2 THR A 11 7.846 -2.711 -4.039 1.00 61.01 C ATOM 0 H THR A 11 4.677 -4.856 -2.209 1.00 65.42 H new ATOM 0 HA THR A 11 5.293 -2.161 -3.221 1.00 34.22 H new ATOM 0 HB THR A 11 7.238 -4.495 -3.034 1.00 4.31 H new ATOM 0 HG1 THR A 11 8.332 -3.068 -1.530 1.00 1.53 H new ATOM 0 HG21 THR A 11 8.907 -2.867 -3.842 1.00 61.01 H new ATOM 0 HG22 THR A 11 7.598 -3.108 -5.023 1.00 61.01 H new ATOM 0 HG23 THR A 11 7.625 -1.644 -4.012 1.00 61.01 H new ATOM 167 N LEU A 12 4.945 -2.927 -5.567 1.00 24.32 N ATOM 168 CA LEU A 12 4.597 -3.351 -6.918 1.00 75.15 C ATOM 169 C LEU A 12 5.708 -3.002 -7.903 1.00 4.14 C ATOM 170 O LEU A 12 6.035 -1.832 -8.096 1.00 15.31 O ATOM 171 CB LEU A 12 3.286 -2.695 -7.358 1.00 4.13 C ATOM 172 CG LEU A 12 2.456 -3.473 -8.379 1.00 52.52 C ATOM 173 CD1 LEU A 12 2.099 -4.849 -7.840 1.00 63.24 C ATOM 174 CD2 LEU A 12 1.198 -2.698 -8.744 1.00 35.22 C ATOM 0 H LEU A 12 5.008 -1.916 -5.445 1.00 24.32 H new ATOM 0 HA LEU A 12 4.471 -4.434 -6.910 1.00 75.15 H new ATOM 0 HB2 LEU A 12 2.672 -2.527 -6.473 1.00 4.13 H new ATOM 0 HB3 LEU A 12 3.516 -1.715 -7.777 1.00 4.13 H new ATOM 0 HG LEU A 12 3.054 -3.603 -9.281 1.00 52.52 H new ATOM 0 HD11 LEU A 12 1.508 -5.388 -8.581 1.00 63.24 H new ATOM 0 HD12 LEU A 12 3.012 -5.406 -7.630 1.00 63.24 H new ATOM 0 HD13 LEU A 12 1.520 -4.741 -6.923 1.00 63.24 H new ATOM 0 HD21 LEU A 12 0.619 -3.266 -9.472 1.00 35.22 H new ATOM 0 HD22 LEU A 12 0.597 -2.537 -7.849 1.00 35.22 H new ATOM 0 HD23 LEU A 12 1.475 -1.735 -9.173 1.00 35.22 H new ATOM 186 N ASN A 13 6.285 -4.026 -8.523 1.00 41.25 N ATOM 187 CA ASN A 13 7.359 -3.827 -9.490 1.00 4.04 C ATOM 188 C ASN A 13 6.844 -3.985 -10.917 1.00 13.23 C ATOM 189 O ASN A 13 6.181 -4.969 -11.243 1.00 12.44 O ATOM 190 CB ASN A 13 8.495 -4.820 -9.233 1.00 34.12 C ATOM 191 CG ASN A 13 9.038 -4.725 -7.820 1.00 52.31 C ATOM 192 OD1 ASN A 13 8.907 -3.693 -7.161 1.00 75.20 O ATOM 193 ND2 ASN A 13 9.652 -5.803 -7.349 1.00 21.55 N ATOM 0 H ASN A 13 6.027 -5.002 -8.373 1.00 41.25 H new ATOM 0 HA ASN A 13 7.738 -2.812 -9.370 1.00 4.04 H new ATOM 0 HB2 ASN A 13 8.136 -5.833 -9.414 1.00 34.12 H new ATOM 0 HB3 ASN A 13 9.302 -4.636 -9.942 1.00 34.12 H new ATOM 0 HD21 ASN A 13 10.039 -5.798 -6.405 1.00 21.55 H new ATOM 0 HD22 ASN A 13 9.737 -6.636 -7.931 1.00 21.55 H new ATOM 200 N ASN A 14 7.154 -3.009 -11.764 1.00 10.54 N ATOM 201 CA ASN A 14 6.722 -3.039 -13.156 1.00 41.22 C ATOM 202 C ASN A 14 5.224 -3.310 -13.255 1.00 61.35 C ATOM 203 O ASN A 14 4.787 -4.341 -13.769 1.00 3.41 O ATOM 204 CB ASN A 14 7.498 -4.107 -13.929 1.00 73.43 C ATOM 205 CG ASN A 14 7.351 -3.955 -15.431 1.00 20.30 C ATOM 206 OD1 ASN A 14 7.213 -2.844 -15.943 1.00 62.20 O ATOM 207 ND2 ASN A 14 7.380 -5.075 -16.145 1.00 11.15 N ATOM 0 H ASN A 14 7.703 -2.188 -11.510 1.00 10.54 H new ATOM 0 HA ASN A 14 6.926 -2.062 -13.595 1.00 41.22 H new ATOM 0 HB2 ASN A 14 8.553 -4.050 -13.662 1.00 73.43 H new ATOM 0 HB3 ASN A 14 7.147 -5.095 -13.630 1.00 73.43 H new ATOM 0 HD21 ASN A 14 7.286 -5.035 -17.160 1.00 11.15 H new ATOM 0 HD22 ASN A 14 7.496 -5.974 -15.678 1.00 11.15 H new ATOM 214 N PRO A 15 4.417 -2.364 -12.753 1.00 72.22 N ATOM 215 CA PRO A 15 2.955 -2.478 -12.774 1.00 44.33 C ATOM 216 C PRO A 15 2.385 -2.355 -14.183 1.00 72.11 C ATOM 217 O PRO A 15 3.112 -2.073 -15.136 1.00 62.33 O ATOM 218 CB PRO A 15 2.496 -1.303 -11.907 1.00 52.01 C ATOM 219 CG PRO A 15 3.602 -0.310 -11.998 1.00 3.42 C ATOM 220 CD PRO A 15 4.868 -1.111 -12.126 1.00 44.55 C ATOM 0 HA PRO A 15 2.616 -3.449 -12.414 1.00 44.33 H new ATOM 0 HB2 PRO A 15 1.558 -0.885 -12.272 1.00 52.01 H new ATOM 0 HB3 PRO A 15 2.327 -1.614 -10.876 1.00 52.01 H new ATOM 0 HG2 PRO A 15 3.467 0.347 -12.857 1.00 3.42 H new ATOM 0 HG3 PRO A 15 3.630 0.325 -11.113 1.00 3.42 H new ATOM 0 HD2 PRO A 15 5.608 -0.598 -12.740 1.00 44.55 H new ATOM 0 HD3 PRO A 15 5.330 -1.291 -11.155 1.00 44.55 H new ATOM 228 N LEU A 16 1.079 -2.568 -14.308 1.00 45.21 N ATOM 229 CA LEU A 16 0.410 -2.480 -15.602 1.00 25.55 C ATOM 230 C LEU A 16 -0.638 -1.372 -15.599 1.00 22.53 C ATOM 231 O LEU A 16 -1.261 -1.091 -16.622 1.00 44.24 O ATOM 232 CB LEU A 16 -0.245 -3.818 -15.950 1.00 13.21 C ATOM 233 CG LEU A 16 -0.256 -4.194 -17.432 1.00 21.21 C ATOM 234 CD1 LEU A 16 -0.236 -5.706 -17.599 1.00 14.31 C ATOM 235 CD2 LEU A 16 -1.470 -3.595 -18.126 1.00 13.22 C ATOM 0 H LEU A 16 0.463 -2.803 -13.530 1.00 45.21 H new ATOM 0 HA LEU A 16 1.160 -2.242 -16.357 1.00 25.55 H new ATOM 0 HB2 LEU A 16 0.269 -4.606 -15.400 1.00 13.21 H new ATOM 0 HB3 LEU A 16 -1.275 -3.800 -15.593 1.00 13.21 H new ATOM 0 HG LEU A 16 0.641 -3.785 -17.897 1.00 21.21 H new ATOM 0 HD11 LEU A 16 -0.244 -5.955 -18.660 1.00 14.31 H new ATOM 0 HD12 LEU A 16 0.665 -6.111 -17.138 1.00 14.31 H new ATOM 0 HD13 LEU A 16 -1.114 -6.137 -17.118 1.00 14.31 H new ATOM 0 HD21 LEU A 16 -1.461 -3.873 -19.180 1.00 13.22 H new ATOM 0 HD22 LEU A 16 -2.379 -3.973 -17.659 1.00 13.22 H new ATOM 0 HD23 LEU A 16 -1.441 -2.509 -18.037 1.00 13.22 H new ATOM 247 N SER A 17 -0.826 -0.746 -14.442 1.00 1.23 N ATOM 248 CA SER A 17 -1.800 0.331 -14.305 1.00 21.20 C ATOM 249 C SER A 17 -1.801 0.885 -12.883 1.00 73.15 C ATOM 250 O SER A 17 -1.336 0.245 -11.940 1.00 45.41 O ATOM 251 CB SER A 17 -3.199 -0.169 -14.671 1.00 42.10 C ATOM 252 OG SER A 17 -3.541 0.198 -15.996 1.00 41.23 O ATOM 0 H SER A 17 -0.317 -0.966 -13.586 1.00 1.23 H new ATOM 0 HA SER A 17 -1.518 1.132 -14.988 1.00 21.20 H new ATOM 0 HB2 SER A 17 -3.239 -1.253 -14.569 1.00 42.10 H new ATOM 0 HB3 SER A 17 -3.930 0.244 -13.976 1.00 42.10 H new ATOM 0 HG SER A 17 -2.849 -0.120 -16.613 1.00 41.23 H new ATOM 258 N PRO A 18 -2.338 2.104 -12.725 1.00 44.11 N ATOM 259 CA PRO A 18 -2.414 2.772 -11.423 1.00 2.34 C ATOM 260 C PRO A 18 -3.414 2.103 -10.486 1.00 3.34 C ATOM 261 O PRO A 18 -4.348 1.436 -10.932 1.00 1.12 O ATOM 262 CB PRO A 18 -2.877 4.188 -11.777 1.00 21.44 C ATOM 263 CG PRO A 18 -3.604 4.036 -13.068 1.00 50.40 C ATOM 264 CD PRO A 18 -2.911 2.924 -13.805 1.00 74.04 C ATOM 0 HA PRO A 18 -1.462 2.740 -10.892 1.00 2.34 H new ATOM 0 HB2 PRO A 18 -3.526 4.598 -11.003 1.00 21.44 H new ATOM 0 HB3 PRO A 18 -2.031 4.868 -11.877 1.00 21.44 H new ATOM 0 HG2 PRO A 18 -4.654 3.797 -12.899 1.00 50.40 H new ATOM 0 HG3 PRO A 18 -3.576 4.962 -13.643 1.00 50.40 H new ATOM 0 HD2 PRO A 18 -3.608 2.352 -14.417 1.00 74.04 H new ATOM 0 HD3 PRO A 18 -2.139 3.305 -14.473 1.00 74.04 H new ATOM 272 N LEU A 19 -3.212 2.286 -9.185 1.00 54.13 N ATOM 273 CA LEU A 19 -4.097 1.700 -8.184 1.00 53.33 C ATOM 274 C LEU A 19 -5.361 2.538 -8.018 1.00 0.15 C ATOM 275 O LEU A 19 -5.438 3.667 -8.502 1.00 62.14 O ATOM 276 CB LEU A 19 -3.372 1.578 -6.843 1.00 71.20 C ATOM 277 CG LEU A 19 -1.909 1.140 -6.909 1.00 24.32 C ATOM 278 CD1 LEU A 19 -1.248 1.280 -5.546 1.00 44.24 C ATOM 279 CD2 LEU A 19 -1.803 -0.293 -7.410 1.00 21.43 C ATOM 0 H LEU A 19 -2.444 2.835 -8.799 1.00 54.13 H new ATOM 0 HA LEU A 19 -4.385 0.706 -8.526 1.00 53.33 H new ATOM 0 HB2 LEU A 19 -3.419 2.543 -6.338 1.00 71.20 H new ATOM 0 HB3 LEU A 19 -3.916 0.866 -6.222 1.00 71.20 H new ATOM 0 HG LEU A 19 -1.387 1.789 -7.612 1.00 24.32 H new ATOM 0 HD11 LEU A 19 -0.207 0.964 -5.612 1.00 44.24 H new ATOM 0 HD12 LEU A 19 -1.291 2.321 -5.226 1.00 44.24 H new ATOM 0 HD13 LEU A 19 -1.772 0.656 -4.822 1.00 44.24 H new ATOM 0 HD21 LEU A 19 -0.754 -0.588 -7.451 1.00 21.43 H new ATOM 0 HD22 LEU A 19 -2.340 -0.956 -6.732 1.00 21.43 H new ATOM 0 HD23 LEU A 19 -2.238 -0.363 -8.407 1.00 21.43 H new ATOM 291 N SER A 20 -6.349 1.978 -7.327 1.00 10.43 N ATOM 292 CA SER A 20 -7.610 2.673 -7.097 1.00 13.21 C ATOM 293 C SER A 20 -8.226 2.254 -5.765 1.00 55.55 C ATOM 294 O SER A 20 -7.954 1.166 -5.257 1.00 11.22 O ATOM 295 CB SER A 20 -8.589 2.388 -8.237 1.00 74.42 C ATOM 296 OG SER A 20 -9.172 1.103 -8.099 1.00 40.15 O ATOM 0 H SER A 20 -6.300 1.045 -6.917 1.00 10.43 H new ATOM 0 HA SER A 20 -7.406 3.743 -7.062 1.00 13.21 H new ATOM 0 HB2 SER A 20 -9.372 3.147 -8.247 1.00 74.42 H new ATOM 0 HB3 SER A 20 -8.069 2.454 -9.193 1.00 74.42 H new ATOM 0 HG SER A 20 -9.795 0.945 -8.839 1.00 40.15 H new ATOM 302 N LEU A 21 -9.058 3.126 -5.206 1.00 33.01 N ATOM 303 CA LEU A 21 -9.715 2.848 -3.933 1.00 3.30 C ATOM 304 C LEU A 21 -10.476 1.528 -3.989 1.00 62.44 C ATOM 305 O LEU A 21 -10.799 1.031 -5.069 1.00 32.11 O ATOM 306 CB LEU A 21 -10.671 3.986 -3.571 1.00 0.01 C ATOM 307 CG LEU A 21 -11.167 4.011 -2.125 1.00 2.53 C ATOM 308 CD1 LEU A 21 -10.006 4.227 -1.166 1.00 51.01 C ATOM 309 CD2 LEU A 21 -12.221 5.094 -1.941 1.00 64.12 C ATOM 0 H LEU A 21 -9.294 4.031 -5.614 1.00 33.01 H new ATOM 0 HA LEU A 21 -8.945 2.770 -3.165 1.00 3.30 H new ATOM 0 HB2 LEU A 21 -10.173 4.933 -3.780 1.00 0.01 H new ATOM 0 HB3 LEU A 21 -11.537 3.930 -4.230 1.00 0.01 H new ATOM 0 HG LEU A 21 -11.622 3.046 -1.901 1.00 2.53 H new ATOM 0 HD11 LEU A 21 -10.378 4.242 -0.142 1.00 51.01 H new ATOM 0 HD12 LEU A 21 -9.286 3.417 -1.279 1.00 51.01 H new ATOM 0 HD13 LEU A 21 -9.521 5.177 -1.390 1.00 51.01 H new ATOM 0 HD21 LEU A 21 -12.563 5.097 -0.906 1.00 64.12 H new ATOM 0 HD22 LEU A 21 -11.791 6.066 -2.184 1.00 64.12 H new ATOM 0 HD23 LEU A 21 -13.065 4.896 -2.601 1.00 64.12 H new ATOM 321 N HIS A 22 -10.761 0.964 -2.820 1.00 1.34 N ATOM 322 CA HIS A 22 -11.487 -0.298 -2.736 1.00 1.13 C ATOM 323 C HIS A 22 -12.704 -0.165 -1.825 1.00 71.14 C ATOM 324 O HIS A 22 -12.605 0.349 -0.711 1.00 23.30 O ATOM 325 CB HIS A 22 -10.568 -1.406 -2.220 1.00 11.23 C ATOM 326 CG HIS A 22 -11.053 -2.785 -2.543 1.00 70.44 C ATOM 327 ND1 HIS A 22 -11.016 -3.827 -1.641 1.00 34.13 N ATOM 328 CD2 HIS A 22 -11.590 -3.292 -3.678 1.00 43.42 C ATOM 329 CE1 HIS A 22 -11.508 -4.915 -2.207 1.00 2.22 C ATOM 330 NE2 HIS A 22 -11.863 -4.617 -3.443 1.00 55.44 N ATOM 0 H HIS A 22 -10.500 1.361 -1.917 1.00 1.34 H new ATOM 0 HA HIS A 22 -11.831 -0.558 -3.737 1.00 1.13 H new ATOM 0 HB2 HIS A 22 -9.574 -1.270 -2.646 1.00 11.23 H new ATOM 0 HB3 HIS A 22 -10.467 -1.309 -1.139 1.00 11.23 H new ATOM 0 HD2 HIS A 22 -11.770 -2.754 -4.597 1.00 43.42 H new ATOM 0 HE1 HIS A 22 -11.603 -5.883 -1.738 1.00 2.22 H new ATOM 0 HE2 HIS A 22 -12.274 -5.266 -4.115 1.00 55.44 H new ATOM 338 N ASP A 23 -13.851 -0.630 -2.308 1.00 20.53 N ATOM 339 CA ASP A 23 -15.087 -0.564 -1.537 1.00 55.14 C ATOM 340 C ASP A 23 -14.924 -1.253 -0.186 1.00 43.22 C ATOM 341 O ASP A 23 -15.644 -0.953 0.766 1.00 73.32 O ATOM 342 CB ASP A 23 -16.234 -1.209 -2.317 1.00 34.00 C ATOM 343 CG ASP A 23 -17.063 -0.191 -3.077 1.00 25.44 C ATOM 344 OD1 ASP A 23 -17.652 0.697 -2.427 1.00 34.22 O ATOM 345 OD2 ASP A 23 -17.122 -0.284 -4.321 1.00 5.42 O ATOM 0 H ASP A 23 -13.951 -1.056 -3.229 1.00 20.53 H new ATOM 0 HA ASP A 23 -15.321 0.486 -1.362 1.00 55.14 H new ATOM 0 HB2 ASP A 23 -15.828 -1.938 -3.018 1.00 34.00 H new ATOM 0 HB3 ASP A 23 -16.877 -1.754 -1.627 1.00 34.00 H new ATOM 350 N SER A 24 -13.972 -2.178 -0.111 1.00 10.34 N ATOM 351 CA SER A 24 -13.717 -2.913 1.123 1.00 42.15 C ATOM 352 C SER A 24 -12.803 -2.118 2.050 1.00 41.41 C ATOM 353 O SER A 24 -13.020 -2.068 3.260 1.00 13.31 O ATOM 354 CB SER A 24 -13.087 -4.272 0.810 1.00 13.20 C ATOM 355 OG SER A 24 -13.769 -5.316 1.483 1.00 70.44 O ATOM 0 H SER A 24 -13.365 -2.436 -0.889 1.00 10.34 H new ATOM 0 HA SER A 24 -14.670 -3.069 1.628 1.00 42.15 H new ATOM 0 HB2 SER A 24 -13.113 -4.450 -0.265 1.00 13.20 H new ATOM 0 HB3 SER A 24 -12.038 -4.268 1.107 1.00 13.20 H new ATOM 0 HG SER A 24 -13.349 -6.174 1.266 1.00 70.44 H new ATOM 361 N MET A 25 -11.779 -1.497 1.472 1.00 34.12 N ATOM 362 CA MET A 25 -10.832 -0.703 2.246 1.00 14.21 C ATOM 363 C MET A 25 -11.451 0.629 2.660 1.00 24.25 C ATOM 364 O MET A 25 -12.619 0.896 2.380 1.00 13.54 O ATOM 365 CB MET A 25 -9.558 -0.457 1.436 1.00 54.44 C ATOM 366 CG MET A 25 -9.675 0.700 0.456 1.00 74.43 C ATOM 367 SD MET A 25 -8.099 1.125 -0.309 1.00 24.35 S ATOM 368 CE MET A 25 -7.704 -0.408 -1.146 1.00 72.44 C ATOM 0 H MET A 25 -11.584 -1.529 0.471 1.00 34.12 H new ATOM 0 HA MET A 25 -10.578 -1.262 3.147 1.00 14.21 H new ATOM 0 HB2 MET A 25 -8.734 -0.260 2.121 1.00 54.44 H new ATOM 0 HB3 MET A 25 -9.306 -1.364 0.886 1.00 54.44 H new ATOM 0 HG2 MET A 25 -10.394 0.441 -0.322 1.00 74.43 H new ATOM 0 HG3 MET A 25 -10.069 1.573 0.976 1.00 74.43 H new ATOM 0 HE1 MET A 25 -6.657 -0.658 -0.972 1.00 72.44 H new ATOM 0 HE2 MET A 25 -8.337 -1.207 -0.760 1.00 72.44 H new ATOM 0 HE3 MET A 25 -7.877 -0.293 -2.216 1.00 72.44 H new ATOM 378 N LYS A 26 -10.659 1.461 3.329 1.00 34.45 N ATOM 379 CA LYS A 26 -11.128 2.765 3.782 1.00 1.01 C ATOM 380 C LYS A 26 -10.145 3.863 3.387 1.00 14.05 C ATOM 381 O LYS A 26 -10.546 4.982 3.067 1.00 11.45 O ATOM 382 CB LYS A 26 -11.322 2.761 5.300 1.00 14.50 C ATOM 383 CG LYS A 26 -12.763 2.980 5.729 1.00 1.42 C ATOM 384 CD LYS A 26 -13.170 2.014 6.829 1.00 73.25 C ATOM 385 CE LYS A 26 -14.670 2.055 7.079 1.00 20.30 C ATOM 386 NZ LYS A 26 -15.022 2.985 8.187 1.00 31.24 N ATOM 0 H LYS A 26 -9.689 1.255 3.569 1.00 34.45 H new ATOM 0 HA LYS A 26 -12.085 2.967 3.301 1.00 1.01 H new ATOM 0 HB2 LYS A 26 -10.973 1.809 5.700 1.00 14.50 H new ATOM 0 HB3 LYS A 26 -10.698 3.539 5.740 1.00 14.50 H new ATOM 0 HG2 LYS A 26 -12.888 4.005 6.079 1.00 1.42 H new ATOM 0 HG3 LYS A 26 -13.422 2.854 4.870 1.00 1.42 H new ATOM 0 HD2 LYS A 26 -12.873 1.002 6.554 1.00 73.25 H new ATOM 0 HD3 LYS A 26 -12.640 2.263 7.748 1.00 73.25 H new ATOM 0 HE2 LYS A 26 -15.182 2.365 6.168 1.00 20.30 H new ATOM 0 HE3 LYS A 26 -15.026 1.053 7.319 1.00 20.30 H new ATOM 0 HZ1 LYS A 26 -16.053 2.985 8.326 1.00 31.24 H new ATOM 0 HZ2 LYS A 26 -14.554 2.675 9.062 1.00 31.24 H new ATOM 0 HZ3 LYS A 26 -14.705 3.946 7.947 1.00 31.24 H new ATOM 400 N TYR A 27 -8.858 3.535 3.411 1.00 14.11 N ATOM 401 CA TYR A 27 -7.819 4.494 3.056 1.00 22.05 C ATOM 402 C TYR A 27 -6.861 3.903 2.027 1.00 62.14 C ATOM 403 O TYR A 27 -6.541 2.714 2.069 1.00 74.05 O ATOM 404 CB TYR A 27 -7.044 4.922 4.304 1.00 44.23 C ATOM 405 CG TYR A 27 -6.302 6.229 4.137 1.00 64.14 C ATOM 406 CD1 TYR A 27 -6.913 7.326 3.542 1.00 1.22 C ATOM 407 CD2 TYR A 27 -4.989 6.366 4.572 1.00 54.32 C ATOM 408 CE1 TYR A 27 -6.239 8.522 3.387 1.00 42.04 C ATOM 409 CE2 TYR A 27 -4.308 7.559 4.422 1.00 72.42 C ATOM 410 CZ TYR A 27 -4.937 8.633 3.828 1.00 1.45 C ATOM 411 OH TYR A 27 -4.261 9.822 3.676 1.00 52.41 O ATOM 0 H TYR A 27 -8.510 2.613 3.672 1.00 14.11 H new ATOM 0 HA TYR A 27 -8.301 5.368 2.617 1.00 22.05 H new ATOM 0 HB2 TYR A 27 -7.738 5.012 5.139 1.00 44.23 H new ATOM 0 HB3 TYR A 27 -6.331 4.140 4.565 1.00 44.23 H new ATOM 0 HD1 TYR A 27 -7.932 7.242 3.195 1.00 1.22 H new ATOM 0 HD2 TYR A 27 -4.493 5.526 5.035 1.00 54.32 H new ATOM 0 HE1 TYR A 27 -6.729 9.365 2.923 1.00 42.04 H new ATOM 0 HE2 TYR A 27 -3.289 7.650 4.768 1.00 72.42 H new ATOM 0 HH TYR A 27 -3.356 9.732 4.040 1.00 52.41 H new ATOM 421 N LEU A 28 -6.405 4.742 1.103 1.00 71.42 N ATOM 422 CA LEU A 28 -5.482 4.304 0.061 1.00 54.32 C ATOM 423 C LEU A 28 -4.313 5.274 -0.073 1.00 50.42 C ATOM 424 O LEU A 28 -4.508 6.479 -0.237 1.00 64.14 O ATOM 425 CB LEU A 28 -6.214 4.182 -1.277 1.00 20.50 C ATOM 426 CG LEU A 28 -5.398 3.613 -2.438 1.00 40.05 C ATOM 427 CD1 LEU A 28 -4.743 2.300 -2.039 1.00 34.14 C ATOM 428 CD2 LEU A 28 -6.278 3.421 -3.665 1.00 32.42 C ATOM 0 H LEU A 28 -6.659 5.729 1.054 1.00 71.42 H new ATOM 0 HA LEU A 28 -5.089 3.327 0.344 1.00 54.32 H new ATOM 0 HB2 LEU A 28 -7.091 3.552 -1.132 1.00 20.50 H new ATOM 0 HB3 LEU A 28 -6.575 5.170 -1.563 1.00 20.50 H new ATOM 0 HG LEU A 28 -4.612 4.326 -2.687 1.00 40.05 H new ATOM 0 HD11 LEU A 28 -4.167 1.911 -2.879 1.00 34.14 H new ATOM 0 HD12 LEU A 28 -4.080 2.467 -1.190 1.00 34.14 H new ATOM 0 HD13 LEU A 28 -5.512 1.579 -1.762 1.00 34.14 H new ATOM 0 HD21 LEU A 28 -5.680 3.015 -4.481 1.00 32.42 H new ATOM 0 HD22 LEU A 28 -7.086 2.729 -3.428 1.00 32.42 H new ATOM 0 HD23 LEU A 28 -6.698 4.381 -3.965 1.00 32.42 H new ATOM 440 N VAL A 29 -3.097 4.741 -0.004 1.00 54.12 N ATOM 441 CA VAL A 29 -1.896 5.559 -0.121 1.00 60.12 C ATOM 442 C VAL A 29 -0.828 4.851 -0.948 1.00 11.42 C ATOM 443 O VAL A 29 -0.416 3.737 -0.625 1.00 44.04 O ATOM 444 CB VAL A 29 -1.314 5.903 1.263 1.00 71.22 C ATOM 445 CG1 VAL A 29 -0.028 6.703 1.118 1.00 74.51 C ATOM 446 CG2 VAL A 29 -2.335 6.665 2.095 1.00 64.41 C ATOM 0 H VAL A 29 -2.918 3.746 0.132 1.00 54.12 H new ATOM 0 HA VAL A 29 -2.188 6.481 -0.623 1.00 60.12 H new ATOM 0 HB VAL A 29 -1.078 4.973 1.781 1.00 71.22 H new ATOM 0 HG11 VAL A 29 0.368 6.937 2.106 1.00 74.51 H new ATOM 0 HG12 VAL A 29 0.704 6.117 0.562 1.00 74.51 H new ATOM 0 HG13 VAL A 29 -0.234 7.629 0.581 1.00 74.51 H new ATOM 0 HG21 VAL A 29 -1.907 6.900 3.070 1.00 64.41 H new ATOM 0 HG22 VAL A 29 -2.604 7.590 1.584 1.00 64.41 H new ATOM 0 HG23 VAL A 29 -3.226 6.052 2.228 1.00 64.41 H new ATOM 456 N TYR A 30 -0.384 5.506 -2.015 1.00 2.12 N ATOM 457 CA TYR A 30 0.636 4.939 -2.890 1.00 14.23 C ATOM 458 C TYR A 30 1.473 6.039 -3.535 1.00 12.30 C ATOM 459 O TYR A 30 1.005 7.163 -3.718 1.00 71.45 O ATOM 460 CB TYR A 30 -0.014 4.076 -3.972 1.00 54.14 C ATOM 461 CG TYR A 30 -0.544 4.872 -5.144 1.00 70.31 C ATOM 462 CD1 TYR A 30 -1.797 5.471 -5.093 1.00 65.32 C ATOM 463 CD2 TYR A 30 0.209 5.025 -6.302 1.00 11.02 C ATOM 464 CE1 TYR A 30 -2.285 6.198 -6.162 1.00 25.33 C ATOM 465 CE2 TYR A 30 -0.270 5.752 -7.375 1.00 34.44 C ATOM 466 CZ TYR A 30 -1.518 6.335 -7.300 1.00 2.41 C ATOM 467 OH TYR A 30 -2.000 7.060 -8.366 1.00 2.11 O ATOM 0 H TYR A 30 -0.714 6.430 -2.295 1.00 2.12 H new ATOM 0 HA TYR A 30 1.294 4.316 -2.284 1.00 14.23 H new ATOM 0 HB2 TYR A 30 0.716 3.353 -4.335 1.00 54.14 H new ATOM 0 HB3 TYR A 30 -0.832 3.508 -3.529 1.00 54.14 H new ATOM 0 HD1 TYR A 30 -2.400 5.367 -4.203 1.00 65.32 H new ATOM 0 HD2 TYR A 30 1.185 4.568 -6.364 1.00 11.02 H new ATOM 0 HE1 TYR A 30 -3.261 6.656 -6.107 1.00 25.33 H new ATOM 0 HE2 TYR A 30 0.329 5.863 -8.267 1.00 34.44 H new ATOM 0 HH TYR A 30 -1.337 7.061 -9.088 1.00 2.11 H new ATOM 477 N GLN A 31 2.713 5.706 -3.877 1.00 42.20 N ATOM 478 CA GLN A 31 3.616 6.665 -4.502 1.00 5.21 C ATOM 479 C GLN A 31 4.476 5.990 -5.565 1.00 43.23 C ATOM 480 O GLN A 31 4.704 4.781 -5.520 1.00 75.42 O ATOM 481 CB GLN A 31 4.510 7.319 -3.446 1.00 52.02 C ATOM 482 CG GLN A 31 5.666 6.439 -2.998 1.00 51.42 C ATOM 483 CD GLN A 31 6.875 6.557 -3.906 1.00 15.23 C ATOM 484 OE1 GLN A 31 7.223 5.617 -4.620 1.00 71.31 O ATOM 485 NE2 GLN A 31 7.522 7.716 -3.883 1.00 12.43 N ATOM 0 H GLN A 31 3.115 4.780 -3.732 1.00 42.20 H new ATOM 0 HA GLN A 31 3.012 7.434 -4.984 1.00 5.21 H new ATOM 0 HB2 GLN A 31 4.908 8.252 -3.846 1.00 52.02 H new ATOM 0 HB3 GLN A 31 3.903 7.578 -2.578 1.00 52.02 H new ATOM 0 HG2 GLN A 31 5.952 6.710 -1.982 1.00 51.42 H new ATOM 0 HG3 GLN A 31 5.337 5.400 -2.970 1.00 51.42 H new ATOM 0 HE21 GLN A 31 7.198 8.469 -3.275 1.00 12.43 H new ATOM 0 HE22 GLN A 31 8.343 7.854 -4.473 1.00 12.43 H new ATOM 494 N THR A 32 4.953 6.780 -6.523 1.00 73.42 N ATOM 495 CA THR A 32 5.786 6.258 -7.599 1.00 42.41 C ATOM 496 C THR A 32 7.267 6.433 -7.282 1.00 12.34 C ATOM 497 O THR A 32 7.679 7.463 -6.749 1.00 13.21 O ATOM 498 CB THR A 32 5.474 6.953 -8.938 1.00 44.01 C ATOM 499 OG1 THR A 32 4.175 7.553 -8.888 1.00 2.12 O ATOM 500 CG2 THR A 32 5.536 5.961 -10.090 1.00 21.14 C ATOM 0 H THR A 32 4.776 7.783 -6.575 1.00 73.42 H new ATOM 0 HA THR A 32 5.559 5.196 -7.688 1.00 42.41 H new ATOM 0 HB THR A 32 6.224 7.726 -9.104 1.00 44.01 H new ATOM 0 HG1 THR A 32 3.985 7.994 -9.742 1.00 2.12 H new ATOM 0 HG21 THR A 32 5.312 6.475 -11.025 1.00 21.14 H new ATOM 0 HG22 THR A 32 6.535 5.528 -10.144 1.00 21.14 H new ATOM 0 HG23 THR A 32 4.805 5.169 -9.928 1.00 21.14 H new ATOM 508 N GLU A 33 8.062 5.421 -7.613 1.00 21.11 N ATOM 509 CA GLU A 33 9.498 5.465 -7.362 1.00 71.41 C ATOM 510 C GLU A 33 10.278 4.971 -8.578 1.00 13.44 C ATOM 511 O GLU A 33 9.767 4.190 -9.380 1.00 11.24 O ATOM 512 CB GLU A 33 9.850 4.617 -6.138 1.00 64.10 C ATOM 513 CG GLU A 33 10.080 5.434 -4.878 1.00 23.23 C ATOM 514 CD GLU A 33 9.852 4.630 -3.612 1.00 43.40 C ATOM 515 OE1 GLU A 33 8.856 3.880 -3.556 1.00 53.31 O ATOM 516 OE2 GLU A 33 10.672 4.752 -2.677 1.00 73.03 O ATOM 0 H GLU A 33 7.737 4.561 -8.055 1.00 21.11 H new ATOM 0 HA GLU A 33 9.776 6.501 -7.170 1.00 71.41 H new ATOM 0 HB2 GLU A 33 9.046 3.904 -5.957 1.00 64.10 H new ATOM 0 HB3 GLU A 33 10.747 4.037 -6.354 1.00 64.10 H new ATOM 0 HG2 GLU A 33 11.100 5.820 -4.880 1.00 23.23 H new ATOM 0 HG3 GLU A 33 9.413 6.296 -4.882 1.00 23.23 H new ATOM 523 N GLN A 34 11.517 5.434 -8.706 1.00 11.40 N ATOM 524 CA GLN A 34 12.367 5.041 -9.824 1.00 13.52 C ATOM 525 C GLN A 34 13.331 3.935 -9.411 1.00 63.54 C ATOM 526 O GLN A 34 13.922 3.982 -8.333 1.00 70.23 O ATOM 527 CB GLN A 34 13.149 6.248 -10.346 1.00 22.23 C ATOM 528 CG GLN A 34 12.933 6.519 -11.826 1.00 23.02 C ATOM 529 CD GLN A 34 14.189 6.304 -12.648 1.00 32.42 C ATOM 530 OE1 GLN A 34 15.091 5.569 -12.244 1.00 12.23 O ATOM 531 NE2 GLN A 34 14.254 6.944 -13.809 1.00 55.21 N ATOM 0 H GLN A 34 11.955 6.081 -8.050 1.00 11.40 H new ATOM 0 HA GLN A 34 11.726 4.661 -10.620 1.00 13.52 H new ATOM 0 HB2 GLN A 34 12.859 7.132 -9.777 1.00 22.23 H new ATOM 0 HB3 GLN A 34 14.212 6.087 -10.166 1.00 22.23 H new ATOM 0 HG2 GLN A 34 12.143 5.867 -12.199 1.00 23.02 H new ATOM 0 HG3 GLN A 34 12.589 7.545 -11.957 1.00 23.02 H new ATOM 0 HE21 GLN A 34 13.483 7.543 -14.105 1.00 55.21 H new ATOM 0 HE22 GLN A 34 15.075 6.837 -14.405 1.00 55.21 H new ATOM 540 N GLY A 35 13.486 2.938 -10.278 1.00 31.43 N ATOM 541 CA GLY A 35 14.379 1.832 -9.985 1.00 4.21 C ATOM 542 C GLY A 35 14.128 0.632 -10.876 1.00 45.12 C ATOM 543 O GLY A 35 13.209 0.640 -11.694 1.00 42.40 O ATOM 0 H GLY A 35 13.009 2.877 -11.178 1.00 31.43 H new ATOM 0 HA2 GLY A 35 15.411 2.161 -10.106 1.00 4.21 H new ATOM 0 HA3 GLY A 35 14.258 1.538 -8.942 1.00 4.21 H new ATOM 547 N GLU A 36 14.949 -0.402 -10.719 1.00 1.10 N ATOM 548 CA GLU A 36 14.812 -1.614 -11.519 1.00 0.54 C ATOM 549 C GLU A 36 14.419 -1.276 -12.954 1.00 62.42 C ATOM 550 O GLU A 36 13.240 -1.292 -13.306 1.00 41.11 O ATOM 551 CB GLU A 36 13.769 -2.545 -10.898 1.00 71.43 C ATOM 552 CG GLU A 36 12.489 -1.838 -10.486 1.00 51.25 C ATOM 553 CD GLU A 36 11.442 -2.793 -9.946 1.00 44.20 C ATOM 554 OE1 GLU A 36 11.800 -3.947 -9.631 1.00 20.24 O ATOM 555 OE2 GLU A 36 10.267 -2.387 -9.839 1.00 15.42 O ATOM 0 H GLU A 36 15.715 -0.425 -10.046 1.00 1.10 H new ATOM 0 HA GLU A 36 15.777 -2.121 -11.535 1.00 0.54 H new ATOM 0 HB2 GLU A 36 13.526 -3.332 -11.612 1.00 71.43 H new ATOM 0 HB3 GLU A 36 14.203 -3.031 -10.024 1.00 71.43 H new ATOM 0 HG2 GLU A 36 12.720 -1.091 -9.727 1.00 51.25 H new ATOM 0 HG3 GLU A 36 12.081 -1.305 -11.344 1.00 51.25 H new ATOM 562 N ALA A 37 15.416 -0.972 -13.778 1.00 44.52 N ATOM 563 CA ALA A 37 15.176 -0.632 -15.175 1.00 63.32 C ATOM 564 C ALA A 37 14.376 0.660 -15.297 1.00 11.04 C ATOM 565 O ALA A 37 13.887 1.194 -14.302 1.00 53.44 O ATOM 566 CB ALA A 37 14.453 -1.771 -15.878 1.00 71.42 C ATOM 0 H ALA A 37 16.398 -0.954 -13.502 1.00 44.52 H new ATOM 0 HA ALA A 37 16.142 -0.477 -15.656 1.00 63.32 H new ATOM 0 HB1 ALA A 37 14.280 -1.504 -16.920 1.00 71.42 H new ATOM 0 HB2 ALA A 37 15.063 -2.673 -15.831 1.00 71.42 H new ATOM 0 HB3 ALA A 37 13.497 -1.953 -15.387 1.00 71.42 H new ATOM 572 N GLY A 38 14.247 1.158 -16.523 1.00 11.12 N ATOM 573 CA GLY A 38 13.506 2.385 -16.751 1.00 33.30 C ATOM 574 C GLY A 38 12.119 2.346 -16.140 1.00 1.43 C ATOM 575 O GLY A 38 11.559 3.384 -15.791 1.00 14.43 O ATOM 0 H GLY A 38 14.642 0.734 -17.362 1.00 11.12 H new ATOM 0 HA2 GLY A 38 14.061 3.224 -16.332 1.00 33.30 H new ATOM 0 HA3 GLY A 38 13.423 2.562 -17.823 1.00 33.30 H new ATOM 579 N ASN A 39 11.564 1.146 -16.011 1.00 74.24 N ATOM 580 CA ASN A 39 10.232 0.977 -15.440 1.00 63.33 C ATOM 581 C ASN A 39 10.175 1.532 -14.020 1.00 61.33 C ATOM 582 O ASN A 39 11.208 1.809 -13.409 1.00 72.43 O ATOM 583 CB ASN A 39 9.840 -0.502 -15.438 1.00 73.10 C ATOM 584 CG ASN A 39 10.227 -1.205 -16.725 1.00 23.24 C ATOM 585 OD1 ASN A 39 10.101 -0.645 -17.814 1.00 32.05 O ATOM 586 ND2 ASN A 39 10.702 -2.439 -16.604 1.00 63.42 N ATOM 0 H ASN A 39 12.015 0.276 -16.294 1.00 74.24 H new ATOM 0 HA ASN A 39 9.526 1.533 -16.057 1.00 63.33 H new ATOM 0 HB2 ASN A 39 10.320 -1.001 -14.596 1.00 73.10 H new ATOM 0 HB3 ASN A 39 8.764 -0.590 -15.289 1.00 73.10 H new ATOM 0 HD21 ASN A 39 10.980 -2.962 -17.434 1.00 63.42 H new ATOM 0 HD22 ASN A 39 10.789 -2.864 -15.681 1.00 63.42 H new ATOM 593 N ILE A 40 8.962 1.691 -13.502 1.00 22.13 N ATOM 594 CA ILE A 40 8.771 2.211 -12.154 1.00 14.04 C ATOM 595 C ILE A 40 8.017 1.213 -11.281 1.00 55.13 C ATOM 596 O ILE A 40 7.445 0.244 -11.781 1.00 34.42 O ATOM 597 CB ILE A 40 8.002 3.546 -12.169 1.00 21.40 C ATOM 598 CG1 ILE A 40 6.816 3.465 -13.133 1.00 4.33 C ATOM 599 CG2 ILE A 40 8.930 4.687 -12.557 1.00 24.14 C ATOM 600 CD1 ILE A 40 6.026 4.751 -13.227 1.00 11.54 C ATOM 0 H ILE A 40 8.097 1.467 -13.995 1.00 22.13 H new ATOM 0 HA ILE A 40 9.764 2.378 -11.737 1.00 14.04 H new ATOM 0 HB ILE A 40 7.619 3.740 -11.167 1.00 21.40 H new ATOM 0 HG12 ILE A 40 7.182 3.199 -14.125 1.00 4.33 H new ATOM 0 HG13 ILE A 40 6.152 2.662 -12.813 1.00 4.33 H new ATOM 0 HG21 ILE A 40 8.372 5.624 -12.563 1.00 24.14 H new ATOM 0 HG22 ILE A 40 9.745 4.755 -11.836 1.00 24.14 H new ATOM 0 HG23 ILE A 40 9.339 4.502 -13.550 1.00 24.14 H new ATOM 0 HD11 ILE A 40 5.201 4.621 -13.928 1.00 11.54 H new ATOM 0 HD12 ILE A 40 5.630 5.008 -12.244 1.00 11.54 H new ATOM 0 HD13 ILE A 40 6.676 5.553 -13.577 1.00 11.54 H new ATOM 612 N HIS A 41 8.018 1.458 -9.975 1.00 21.12 N ATOM 613 CA HIS A 41 7.332 0.582 -9.032 1.00 73.30 C ATOM 614 C HIS A 41 6.418 1.384 -8.110 1.00 43.54 C ATOM 615 O HIS A 41 6.717 2.528 -7.766 1.00 2.12 O ATOM 616 CB HIS A 41 8.347 -0.206 -8.203 1.00 51.13 C ATOM 617 CG HIS A 41 9.633 0.527 -7.977 1.00 41.20 C ATOM 618 ND1 HIS A 41 10.870 -0.070 -8.092 1.00 64.53 N ATOM 619 CD2 HIS A 41 9.870 1.817 -7.642 1.00 52.11 C ATOM 620 CE1 HIS A 41 11.812 0.820 -7.836 1.00 64.43 C ATOM 621 NE2 HIS A 41 11.232 1.973 -7.561 1.00 14.43 N ATOM 0 H HIS A 41 8.486 2.256 -9.545 1.00 21.12 H new ATOM 0 HA HIS A 41 6.720 -0.116 -9.603 1.00 73.30 H new ATOM 0 HB2 HIS A 41 7.904 -0.451 -7.238 1.00 51.13 H new ATOM 0 HB3 HIS A 41 8.560 -1.150 -8.705 1.00 51.13 H new ATOM 0 HD2 HIS A 41 9.126 2.581 -7.470 1.00 52.11 H new ATOM 0 HE1 HIS A 41 12.876 0.635 -7.849 1.00 64.43 H new ATOM 0 HE2 HIS A 41 11.717 2.839 -7.326 1.00 14.43 H new ATOM 629 N PHE A 42 5.304 0.778 -7.715 1.00 53.25 N ATOM 630 CA PHE A 42 4.346 1.437 -6.835 1.00 52.23 C ATOM 631 C PHE A 42 4.491 0.936 -5.401 1.00 51.33 C ATOM 632 O PHE A 42 4.524 -0.269 -5.155 1.00 5.11 O ATOM 633 CB PHE A 42 2.918 1.197 -7.329 1.00 72.44 C ATOM 634 CG PHE A 42 2.507 2.114 -8.445 1.00 40.14 C ATOM 635 CD1 PHE A 42 3.340 2.320 -9.533 1.00 60.43 C ATOM 636 CD2 PHE A 42 1.288 2.772 -8.406 1.00 70.31 C ATOM 637 CE1 PHE A 42 2.965 3.163 -10.562 1.00 51.01 C ATOM 638 CE2 PHE A 42 0.907 3.616 -9.432 1.00 64.21 C ATOM 639 CZ PHE A 42 1.747 3.813 -10.511 1.00 24.32 C ATOM 0 H PHE A 42 5.042 -0.169 -7.990 1.00 53.25 H new ATOM 0 HA PHE A 42 4.553 2.507 -6.850 1.00 52.23 H new ATOM 0 HB2 PHE A 42 2.828 0.164 -7.666 1.00 72.44 H new ATOM 0 HB3 PHE A 42 2.228 1.321 -6.495 1.00 72.44 H new ATOM 0 HD1 PHE A 42 4.294 1.816 -9.577 1.00 60.43 H new ATOM 0 HD2 PHE A 42 0.628 2.624 -7.564 1.00 70.31 H new ATOM 0 HE1 PHE A 42 3.623 3.313 -11.405 1.00 51.01 H new ATOM 0 HE2 PHE A 42 -0.047 4.121 -9.390 1.00 64.21 H new ATOM 0 HZ PHE A 42 1.452 4.474 -11.313 1.00 24.32 H new ATOM 649 N GLN A 43 4.577 1.871 -4.460 1.00 40.03 N ATOM 650 CA GLN A 43 4.720 1.525 -3.051 1.00 72.31 C ATOM 651 C GLN A 43 3.995 2.534 -2.166 1.00 60.35 C ATOM 652 O GLN A 43 3.925 3.719 -2.488 1.00 44.11 O ATOM 653 CB GLN A 43 6.199 1.462 -2.667 1.00 21.21 C ATOM 654 CG GLN A 43 6.557 0.252 -1.819 1.00 75.31 C ATOM 655 CD GLN A 43 8.051 0.006 -1.754 1.00 30.30 C ATOM 656 OE1 GLN A 43 8.621 -0.143 -0.673 1.00 33.44 O ATOM 657 NE2 GLN A 43 8.695 -0.038 -2.914 1.00 61.44 N ATOM 0 H GLN A 43 4.550 2.873 -4.648 1.00 40.03 H new ATOM 0 HA GLN A 43 4.270 0.544 -2.896 1.00 72.31 H new ATOM 0 HB2 GLN A 43 6.801 1.450 -3.575 1.00 21.21 H new ATOM 0 HB3 GLN A 43 6.463 2.368 -2.122 1.00 21.21 H new ATOM 0 HG2 GLN A 43 6.172 0.394 -0.809 1.00 75.31 H new ATOM 0 HG3 GLN A 43 6.065 -0.631 -2.227 1.00 75.31 H new ATOM 0 HE21 GLN A 43 8.183 0.091 -3.787 1.00 61.44 H new ATOM 0 HE22 GLN A 43 9.702 -0.201 -2.933 1.00 61.44 H new ATOM 666 N GLY A 44 3.456 2.054 -1.050 1.00 13.55 N ATOM 667 CA GLY A 44 2.743 2.928 -0.136 1.00 75.10 C ATOM 668 C GLY A 44 2.056 2.164 0.979 1.00 53.41 C ATOM 669 O GLY A 44 2.465 1.056 1.325 1.00 33.12 O ATOM 0 H GLY A 44 3.500 1.076 -0.762 1.00 13.55 H new ATOM 0 HA2 GLY A 44 3.441 3.645 0.296 1.00 75.10 H new ATOM 0 HA3 GLY A 44 2.000 3.501 -0.691 1.00 75.10 H new ATOM 673 N TYR A 45 1.010 2.758 1.543 1.00 2.24 N ATOM 674 CA TYR A 45 0.268 2.128 2.629 1.00 54.52 C ATOM 675 C TYR A 45 -1.204 1.965 2.259 1.00 24.12 C ATOM 676 O TYR A 45 -1.784 2.817 1.586 1.00 71.45 O ATOM 677 CB TYR A 45 0.394 2.956 3.909 1.00 44.11 C ATOM 678 CG TYR A 45 1.483 2.470 4.839 1.00 40.02 C ATOM 679 CD1 TYR A 45 2.751 2.167 4.357 1.00 33.23 C ATOM 680 CD2 TYR A 45 1.244 2.313 6.198 1.00 10.04 C ATOM 681 CE1 TYR A 45 3.748 1.722 5.203 1.00 64.30 C ATOM 682 CE2 TYR A 45 2.236 1.870 7.052 1.00 70.04 C ATOM 683 CZ TYR A 45 3.486 1.575 6.549 1.00 3.42 C ATOM 684 OH TYR A 45 4.477 1.132 7.396 1.00 53.44 O ATOM 0 H TYR A 45 0.657 3.674 1.266 1.00 2.24 H new ATOM 0 HA TYR A 45 0.694 1.139 2.800 1.00 54.52 H new ATOM 0 HB2 TYR A 45 0.592 3.994 3.642 1.00 44.11 H new ATOM 0 HB3 TYR A 45 -0.559 2.939 4.438 1.00 44.11 H new ATOM 0 HD1 TYR A 45 2.960 2.281 3.304 1.00 33.23 H new ATOM 0 HD2 TYR A 45 0.266 2.541 6.594 1.00 10.04 H new ATOM 0 HE1 TYR A 45 4.728 1.490 4.812 1.00 64.30 H new ATOM 0 HE2 TYR A 45 2.034 1.755 8.107 1.00 70.04 H new ATOM 0 HH TYR A 45 4.075 0.627 8.133 1.00 53.44 H new ATOM 694 N ILE A 46 -1.800 0.865 2.706 1.00 71.22 N ATOM 695 CA ILE A 46 -3.203 0.590 2.424 1.00 35.53 C ATOM 696 C ILE A 46 -3.907 0.015 3.649 1.00 73.11 C ATOM 697 O ILE A 46 -3.455 -0.970 4.231 1.00 3.04 O ATOM 698 CB ILE A 46 -3.360 -0.393 1.248 1.00 3.34 C ATOM 699 CG1 ILE A 46 -2.574 0.103 0.033 1.00 5.51 C ATOM 700 CG2 ILE A 46 -4.830 -0.571 0.899 1.00 45.34 C ATOM 701 CD1 ILE A 46 -2.527 -0.892 -1.104 1.00 75.55 C ATOM 0 H ILE A 46 -1.333 0.150 3.265 1.00 71.22 H new ATOM 0 HA ILE A 46 -3.663 1.541 2.155 1.00 35.53 H new ATOM 0 HB ILE A 46 -2.958 -1.361 1.546 1.00 3.34 H new ATOM 0 HG12 ILE A 46 -3.021 1.030 -0.325 1.00 5.51 H new ATOM 0 HG13 ILE A 46 -1.555 0.339 0.341 1.00 5.51 H new ATOM 0 HG21 ILE A 46 -4.924 -1.268 0.066 1.00 45.34 H new ATOM 0 HG22 ILE A 46 -5.364 -0.964 1.764 1.00 45.34 H new ATOM 0 HG23 ILE A 46 -5.256 0.392 0.616 1.00 45.34 H new ATOM 0 HD11 ILE A 46 -1.954 -0.473 -1.931 1.00 75.55 H new ATOM 0 HD12 ILE A 46 -2.052 -1.812 -0.763 1.00 75.55 H new ATOM 0 HD13 ILE A 46 -3.541 -1.110 -1.439 1.00 75.55 H new ATOM 713 N GLU A 47 -5.018 0.637 4.032 1.00 31.45 N ATOM 714 CA GLU A 47 -5.785 0.185 5.188 1.00 51.44 C ATOM 715 C GLU A 47 -7.122 -0.410 4.754 1.00 24.23 C ATOM 716 O GLU A 47 -7.962 0.279 4.178 1.00 54.11 O ATOM 717 CB GLU A 47 -6.022 1.347 6.156 1.00 63.53 C ATOM 718 CG GLU A 47 -4.740 1.978 6.673 1.00 13.13 C ATOM 719 CD GLU A 47 -4.992 2.994 7.771 1.00 74.32 C ATOM 720 OE1 GLU A 47 -5.245 2.576 8.920 1.00 61.10 O ATOM 721 OE2 GLU A 47 -4.937 4.207 7.480 1.00 62.05 O ATOM 0 H GLU A 47 -5.407 1.454 3.560 1.00 31.45 H new ATOM 0 HA GLU A 47 -5.209 -0.589 5.695 1.00 51.44 H new ATOM 0 HB2 GLU A 47 -6.617 2.111 5.655 1.00 63.53 H new ATOM 0 HB3 GLU A 47 -6.609 0.990 7.002 1.00 63.53 H new ATOM 0 HG2 GLU A 47 -4.081 1.196 7.051 1.00 13.13 H new ATOM 0 HG3 GLU A 47 -4.219 2.463 5.847 1.00 13.13 H new ATOM 728 N MET A 48 -7.309 -1.695 5.036 1.00 60.40 N ATOM 729 CA MET A 48 -8.543 -2.384 4.676 1.00 20.21 C ATOM 730 C MET A 48 -9.650 -2.076 5.679 1.00 11.11 C ATOM 731 O MET A 48 -9.446 -1.325 6.633 1.00 13.12 O ATOM 732 CB MET A 48 -8.308 -3.894 4.607 1.00 63.34 C ATOM 733 CG MET A 48 -7.449 -4.322 3.428 1.00 45.22 C ATOM 734 SD MET A 48 -8.380 -5.240 2.186 1.00 2.51 S ATOM 735 CE MET A 48 -8.990 -3.902 1.163 1.00 11.35 C ATOM 0 H MET A 48 -6.622 -2.280 5.512 1.00 60.40 H new ATOM 0 HA MET A 48 -8.856 -2.027 3.695 1.00 20.21 H new ATOM 0 HB2 MET A 48 -7.832 -4.222 5.531 1.00 63.34 H new ATOM 0 HB3 MET A 48 -9.271 -4.401 4.547 1.00 63.34 H new ATOM 0 HG2 MET A 48 -7.007 -3.439 2.966 1.00 45.22 H new ATOM 0 HG3 MET A 48 -6.626 -4.939 3.788 1.00 45.22 H new ATOM 0 HE1 MET A 48 -8.935 -4.192 0.114 1.00 11.35 H new ATOM 0 HE2 MET A 48 -10.026 -3.686 1.426 1.00 11.35 H new ATOM 0 HE3 MET A 48 -8.381 -3.013 1.326 1.00 11.35 H new ATOM 745 N LYS A 49 -10.823 -2.660 5.457 1.00 2.12 N ATOM 746 CA LYS A 49 -11.963 -2.449 6.342 1.00 44.03 C ATOM 747 C LYS A 49 -11.611 -2.816 7.780 1.00 43.02 C ATOM 748 O LYS A 49 -11.638 -1.968 8.672 1.00 33.44 O ATOM 749 CB LYS A 49 -13.160 -3.278 5.871 1.00 42.10 C ATOM 750 CG LYS A 49 -14.453 -2.486 5.787 1.00 10.44 C ATOM 751 CD LYS A 49 -15.481 -3.186 4.914 1.00 23.15 C ATOM 752 CE LYS A 49 -16.783 -2.403 4.849 1.00 31.13 C ATOM 753 NZ LYS A 49 -17.952 -3.291 4.601 1.00 74.20 N ATOM 0 H LYS A 49 -11.009 -3.283 4.671 1.00 2.12 H new ATOM 0 HA LYS A 49 -12.226 -1.392 6.310 1.00 44.03 H new ATOM 0 HB2 LYS A 49 -12.937 -3.698 4.890 1.00 42.10 H new ATOM 0 HB3 LYS A 49 -13.301 -4.117 6.553 1.00 42.10 H new ATOM 0 HG2 LYS A 49 -14.860 -2.345 6.788 1.00 10.44 H new ATOM 0 HG3 LYS A 49 -14.248 -1.494 5.384 1.00 10.44 H new ATOM 0 HD2 LYS A 49 -15.080 -3.312 3.908 1.00 23.15 H new ATOM 0 HD3 LYS A 49 -15.675 -4.184 5.307 1.00 23.15 H new ATOM 0 HE2 LYS A 49 -16.929 -1.863 5.784 1.00 31.13 H new ATOM 0 HE3 LYS A 49 -16.719 -1.657 4.057 1.00 31.13 H new ATOM 0 HZ1 LYS A 49 -18.820 -2.720 4.564 1.00 74.20 H new ATOM 0 HZ2 LYS A 49 -17.825 -3.788 3.696 1.00 74.20 H new ATOM 0 HZ3 LYS A 49 -18.029 -3.987 5.370 1.00 74.20 H new ATOM 767 N LYS A 50 -11.278 -4.084 7.998 1.00 55.14 N ATOM 768 CA LYS A 50 -10.918 -4.563 9.327 1.00 61.45 C ATOM 769 C LYS A 50 -10.541 -6.041 9.288 1.00 12.02 C ATOM 770 O LYS A 50 -9.365 -6.394 9.372 1.00 3.44 O ATOM 771 CB LYS A 50 -12.078 -4.347 10.301 1.00 4.03 C ATOM 772 CG LYS A 50 -11.788 -3.307 11.370 1.00 60.20 C ATOM 773 CD LYS A 50 -13.046 -2.923 12.130 1.00 75.11 C ATOM 774 CE LYS A 50 -13.283 -1.421 12.094 1.00 41.05 C ATOM 775 NZ LYS A 50 -14.733 -1.087 12.136 1.00 14.40 N ATOM 0 H LYS A 50 -11.250 -4.799 7.271 1.00 55.14 H new ATOM 0 HA LYS A 50 -10.054 -3.994 9.670 1.00 61.45 H new ATOM 0 HB2 LYS A 50 -12.961 -4.042 9.739 1.00 4.03 H new ATOM 0 HB3 LYS A 50 -12.318 -5.295 10.783 1.00 4.03 H new ATOM 0 HG2 LYS A 50 -11.046 -3.697 12.067 1.00 60.20 H new ATOM 0 HG3 LYS A 50 -11.356 -2.419 10.908 1.00 60.20 H new ATOM 0 HD2 LYS A 50 -13.904 -3.438 11.699 1.00 75.11 H new ATOM 0 HD3 LYS A 50 -12.962 -3.254 13.165 1.00 75.11 H new ATOM 0 HE2 LYS A 50 -12.778 -0.953 12.939 1.00 41.05 H new ATOM 0 HE3 LYS A 50 -12.841 -1.005 11.189 1.00 41.05 H new ATOM 0 HZ1 LYS A 50 -14.852 -0.054 12.110 1.00 14.40 H new ATOM 0 HZ2 LYS A 50 -15.211 -1.512 11.316 1.00 14.40 H new ATOM 0 HZ3 LYS A 50 -15.150 -1.461 13.012 1.00 14.40 H new ATOM 789 N ARG A 51 -11.547 -6.900 9.159 1.00 21.21 N ATOM 790 CA ARG A 51 -11.320 -8.340 9.109 1.00 13.52 C ATOM 791 C ARG A 51 -11.087 -8.804 7.674 1.00 3.35 C ATOM 792 O ARG A 51 -11.802 -9.666 7.165 1.00 75.44 O ATOM 793 CB ARG A 51 -12.513 -9.086 9.710 1.00 24.13 C ATOM 794 CG ARG A 51 -12.143 -10.422 10.334 1.00 11.24 C ATOM 795 CD ARG A 51 -11.957 -10.301 11.839 1.00 70.32 C ATOM 796 NE ARG A 51 -11.796 -11.605 12.477 1.00 74.23 N ATOM 797 CZ ARG A 51 -11.798 -11.785 13.793 1.00 41.31 C ATOM 798 NH1 ARG A 51 -11.951 -10.749 14.606 1.00 13.03 N ATOM 799 NH2 ARG A 51 -11.646 -13.002 14.298 1.00 73.42 N ATOM 0 H ARG A 51 -12.526 -6.624 9.087 1.00 21.21 H new ATOM 0 HA ARG A 51 -10.428 -8.563 9.694 1.00 13.52 H new ATOM 0 HB2 ARG A 51 -12.980 -8.457 10.468 1.00 24.13 H new ATOM 0 HB3 ARG A 51 -13.257 -9.252 8.931 1.00 24.13 H new ATOM 0 HG2 ARG A 51 -12.923 -11.153 10.120 1.00 11.24 H new ATOM 0 HG3 ARG A 51 -11.224 -10.794 9.881 1.00 11.24 H new ATOM 0 HD2 ARG A 51 -11.082 -9.685 12.048 1.00 70.32 H new ATOM 0 HD3 ARG A 51 -12.818 -9.790 12.271 1.00 70.32 H new ATOM 0 HE ARG A 51 -11.675 -12.422 11.879 1.00 74.23 H new ATOM 0 HH11 ARG A 51 -12.067 -9.812 14.221 1.00 13.03 H new ATOM 0 HH12 ARG A 51 -11.952 -10.889 15.616 1.00 13.03 H new ATOM 0 HH21 ARG A 51 -11.527 -13.801 13.676 1.00 73.42 H new ATOM 0 HH22 ARG A 51 -11.648 -13.139 15.309 1.00 73.42 H new ATOM 813 N THR A 52 -10.080 -8.225 7.027 1.00 1.01 N ATOM 814 CA THR A 52 -9.753 -8.577 5.651 1.00 22.33 C ATOM 815 C THR A 52 -8.324 -9.097 5.542 1.00 42.43 C ATOM 816 O THR A 52 -7.366 -8.365 5.793 1.00 53.12 O ATOM 817 CB THR A 52 -9.923 -7.372 4.707 1.00 23.12 C ATOM 818 OG1 THR A 52 -10.878 -6.455 5.251 1.00 54.30 O ATOM 819 CG2 THR A 52 -10.375 -7.825 3.327 1.00 34.34 C ATOM 0 H THR A 52 -9.477 -7.510 7.434 1.00 1.01 H new ATOM 0 HA THR A 52 -10.447 -9.363 5.352 1.00 22.33 H new ATOM 0 HB THR A 52 -8.958 -6.875 4.610 1.00 23.12 H new ATOM 0 HG1 THR A 52 -11.099 -5.776 4.580 1.00 54.30 H new ATOM 0 HG21 THR A 52 -10.488 -6.957 2.678 1.00 34.34 H new ATOM 0 HG22 THR A 52 -9.631 -8.500 2.904 1.00 34.34 H new ATOM 0 HG23 THR A 52 -11.330 -8.344 3.409 1.00 34.34 H new ATOM 827 N SER A 53 -8.187 -10.364 5.165 1.00 42.23 N ATOM 828 CA SER A 53 -6.874 -10.982 5.025 1.00 64.13 C ATOM 829 C SER A 53 -6.194 -10.528 3.737 1.00 43.42 C ATOM 830 O SER A 53 -6.753 -9.743 2.969 1.00 24.01 O ATOM 831 CB SER A 53 -7.000 -12.507 5.037 1.00 13.34 C ATOM 832 OG SER A 53 -8.196 -12.924 4.401 1.00 22.44 O ATOM 0 H SER A 53 -8.969 -10.983 4.951 1.00 42.23 H new ATOM 0 HA SER A 53 -6.261 -10.668 5.870 1.00 64.13 H new ATOM 0 HB2 SER A 53 -6.142 -12.950 4.532 1.00 13.34 H new ATOM 0 HB3 SER A 53 -6.986 -12.868 6.065 1.00 13.34 H new ATOM 0 HG SER A 53 -8.253 -13.902 4.420 1.00 22.44 H new ATOM 838 N LEU A 54 -4.984 -11.026 3.506 1.00 31.04 N ATOM 839 CA LEU A 54 -4.226 -10.672 2.311 1.00 23.34 C ATOM 840 C LEU A 54 -5.058 -10.895 1.053 1.00 50.44 C ATOM 841 O LEU A 54 -4.882 -10.203 0.050 1.00 63.30 O ATOM 842 CB LEU A 54 -2.939 -11.496 2.238 1.00 61.03 C ATOM 843 CG LEU A 54 -2.003 -11.176 1.071 1.00 31.34 C ATOM 844 CD1 LEU A 54 -1.756 -9.678 0.980 1.00 33.42 C ATOM 845 CD2 LEU A 54 -0.688 -11.927 1.221 1.00 31.23 C ATOM 0 H LEU A 54 -4.507 -11.676 4.131 1.00 31.04 H new ATOM 0 HA LEU A 54 -3.970 -9.614 2.372 1.00 23.34 H new ATOM 0 HB2 LEU A 54 -2.388 -11.356 3.168 1.00 61.03 H new ATOM 0 HB3 LEU A 54 -3.209 -12.551 2.183 1.00 61.03 H new ATOM 0 HG LEU A 54 -2.481 -11.501 0.147 1.00 31.34 H new ATOM 0 HD11 LEU A 54 -1.088 -9.469 0.144 1.00 33.42 H new ATOM 0 HD12 LEU A 54 -2.703 -9.162 0.825 1.00 33.42 H new ATOM 0 HD13 LEU A 54 -1.299 -9.328 1.906 1.00 33.42 H new ATOM 0 HD21 LEU A 54 -0.034 -11.687 0.382 1.00 31.23 H new ATOM 0 HD22 LEU A 54 -0.205 -11.633 2.153 1.00 31.23 H new ATOM 0 HD23 LEU A 54 -0.881 -13.000 1.236 1.00 31.23 H new ATOM 857 N ALA A 55 -5.967 -11.862 1.114 1.00 62.44 N ATOM 858 CA ALA A 55 -6.829 -12.173 -0.020 1.00 14.24 C ATOM 859 C ALA A 55 -7.569 -10.930 -0.503 1.00 34.12 C ATOM 860 O ALA A 55 -7.841 -10.781 -1.693 1.00 73.34 O ATOM 861 CB ALA A 55 -7.819 -13.267 0.354 1.00 2.43 C ATOM 0 H ALA A 55 -6.126 -12.444 1.937 1.00 62.44 H new ATOM 0 HA ALA A 55 -6.201 -12.530 -0.836 1.00 14.24 H new ATOM 0 HB1 ALA A 55 -8.456 -13.489 -0.502 1.00 2.43 H new ATOM 0 HB2 ALA A 55 -7.275 -14.166 0.645 1.00 2.43 H new ATOM 0 HB3 ALA A 55 -8.435 -12.930 1.188 1.00 2.43 H new ATOM 867 N GLY A 56 -7.894 -10.040 0.430 1.00 44.41 N ATOM 868 CA GLY A 56 -8.600 -8.822 0.079 1.00 12.40 C ATOM 869 C GLY A 56 -7.740 -7.862 -0.719 1.00 73.04 C ATOM 870 O GLY A 56 -8.183 -7.314 -1.728 1.00 52.13 O ATOM 0 H GLY A 56 -7.681 -10.141 1.422 1.00 44.41 H new ATOM 0 HA2 GLY A 56 -9.489 -9.075 -0.499 1.00 12.40 H new ATOM 0 HA3 GLY A 56 -8.941 -8.329 0.989 1.00 12.40 H new ATOM 874 N MET A 57 -6.508 -7.657 -0.266 1.00 62.13 N ATOM 875 CA MET A 57 -5.584 -6.756 -0.946 1.00 31.21 C ATOM 876 C MET A 57 -5.096 -7.365 -2.257 1.00 33.14 C ATOM 877 O MET A 57 -5.069 -6.698 -3.291 1.00 3.11 O ATOM 878 CB MET A 57 -4.391 -6.438 -0.043 1.00 31.04 C ATOM 879 CG MET A 57 -4.778 -5.747 1.255 1.00 74.40 C ATOM 880 SD MET A 57 -4.639 -3.953 1.155 1.00 53.51 S ATOM 881 CE MET A 57 -6.008 -3.567 0.066 1.00 32.10 C ATOM 0 H MET A 57 -6.126 -8.102 0.569 1.00 62.13 H new ATOM 0 HA MET A 57 -6.117 -5.832 -1.171 1.00 31.21 H new ATOM 0 HB2 MET A 57 -3.866 -7.364 0.191 1.00 31.04 H new ATOM 0 HB3 MET A 57 -3.692 -5.804 -0.588 1.00 31.04 H new ATOM 0 HG2 MET A 57 -5.803 -6.014 1.513 1.00 74.40 H new ATOM 0 HG3 MET A 57 -4.141 -6.112 2.061 1.00 74.40 H new ATOM 0 HE1 MET A 57 -6.529 -2.684 0.435 1.00 32.10 H new ATOM 0 HE2 MET A 57 -5.631 -3.372 -0.938 1.00 32.10 H new ATOM 0 HE3 MET A 57 -6.699 -4.410 0.037 1.00 32.10 H new ATOM 891 N LYS A 58 -4.712 -8.636 -2.206 1.00 44.04 N ATOM 892 CA LYS A 58 -4.225 -9.336 -3.389 1.00 54.04 C ATOM 893 C LYS A 58 -5.277 -9.332 -4.494 1.00 62.15 C ATOM 894 O LYS A 58 -4.946 -9.350 -5.680 1.00 54.34 O ATOM 895 CB LYS A 58 -3.847 -10.776 -3.036 1.00 33.13 C ATOM 896 CG LYS A 58 -2.562 -11.247 -3.694 1.00 4.55 C ATOM 897 CD LYS A 58 -1.543 -11.705 -2.663 1.00 73.01 C ATOM 898 CE LYS A 58 -2.005 -12.963 -1.944 1.00 75.34 C ATOM 899 NZ LYS A 58 -1.677 -14.195 -2.715 1.00 53.51 N ATOM 0 H LYS A 58 -4.729 -9.203 -1.358 1.00 44.04 H new ATOM 0 HA LYS A 58 -3.340 -8.813 -3.751 1.00 54.04 H new ATOM 0 HB2 LYS A 58 -3.743 -10.861 -1.954 1.00 33.13 H new ATOM 0 HB3 LYS A 58 -4.660 -11.439 -3.331 1.00 33.13 H new ATOM 0 HG2 LYS A 58 -2.782 -12.066 -4.379 1.00 4.55 H new ATOM 0 HG3 LYS A 58 -2.140 -10.438 -4.290 1.00 4.55 H new ATOM 0 HD2 LYS A 58 -0.588 -11.895 -3.153 1.00 73.01 H new ATOM 0 HD3 LYS A 58 -1.376 -10.910 -1.936 1.00 73.01 H new ATOM 0 HE2 LYS A 58 -1.535 -13.013 -0.962 1.00 75.34 H new ATOM 0 HE3 LYS A 58 -3.081 -12.913 -1.780 1.00 75.34 H new ATOM 0 HZ1 LYS A 58 -2.008 -15.031 -2.192 1.00 53.51 H new ATOM 0 HZ2 LYS A 58 -2.146 -14.159 -3.643 1.00 53.51 H new ATOM 0 HZ3 LYS A 58 -0.648 -14.256 -2.850 1.00 53.51 H new ATOM 913 N LYS A 59 -6.545 -9.307 -4.098 1.00 62.53 N ATOM 914 CA LYS A 59 -7.646 -9.298 -5.054 1.00 64.24 C ATOM 915 C LYS A 59 -7.560 -8.082 -5.971 1.00 63.12 C ATOM 916 O LYS A 59 -7.951 -8.142 -7.138 1.00 24.53 O ATOM 917 CB LYS A 59 -8.987 -9.302 -4.319 1.00 15.35 C ATOM 918 CG LYS A 59 -9.685 -10.651 -4.333 1.00 14.44 C ATOM 919 CD LYS A 59 -10.426 -10.882 -5.639 1.00 43.23 C ATOM 920 CE LYS A 59 -10.496 -12.361 -5.986 1.00 63.10 C ATOM 921 NZ LYS A 59 -11.465 -12.628 -7.085 1.00 21.03 N ATOM 0 H LYS A 59 -6.836 -9.293 -3.120 1.00 62.53 H new ATOM 0 HA LYS A 59 -7.571 -10.198 -5.665 1.00 64.24 H new ATOM 0 HB2 LYS A 59 -8.826 -8.997 -3.285 1.00 15.35 H new ATOM 0 HB3 LYS A 59 -9.642 -8.559 -4.773 1.00 15.35 H new ATOM 0 HG2 LYS A 59 -8.951 -11.443 -4.185 1.00 14.44 H new ATOM 0 HG3 LYS A 59 -10.387 -10.707 -3.501 1.00 14.44 H new ATOM 0 HD2 LYS A 59 -11.435 -10.477 -5.563 1.00 43.23 H new ATOM 0 HD3 LYS A 59 -9.926 -10.342 -6.443 1.00 43.23 H new ATOM 0 HE2 LYS A 59 -9.507 -12.712 -6.281 1.00 63.10 H new ATOM 0 HE3 LYS A 59 -10.785 -12.928 -5.101 1.00 63.10 H new ATOM 0 HZ1 LYS A 59 -11.483 -13.647 -7.292 1.00 21.03 H new ATOM 0 HZ2 LYS A 59 -12.414 -12.316 -6.795 1.00 21.03 H new ATOM 0 HZ3 LYS A 59 -11.175 -12.107 -7.937 1.00 21.03 H new ATOM 935 N LEU A 60 -7.045 -6.980 -5.437 1.00 51.15 N ATOM 936 CA LEU A 60 -6.906 -5.749 -6.209 1.00 33.35 C ATOM 937 C LEU A 60 -5.650 -5.787 -7.074 1.00 35.45 C ATOM 938 O LEU A 60 -5.655 -5.318 -8.212 1.00 3.32 O ATOM 939 CB LEU A 60 -6.858 -4.540 -5.272 1.00 71.45 C ATOM 940 CG LEU A 60 -8.195 -4.100 -4.675 1.00 71.22 C ATOM 941 CD1 LEU A 60 -8.596 -5.017 -3.530 1.00 71.33 C ATOM 942 CD2 LEU A 60 -8.118 -2.656 -4.202 1.00 54.13 C ATOM 0 H LEU A 60 -6.717 -6.913 -4.474 1.00 51.15 H new ATOM 0 HA LEU A 60 -7.773 -5.660 -6.864 1.00 33.35 H new ATOM 0 HB2 LEU A 60 -6.175 -4.767 -4.454 1.00 71.45 H new ATOM 0 HB3 LEU A 60 -6.433 -3.698 -5.819 1.00 71.45 H new ATOM 0 HG LEU A 60 -8.957 -4.167 -5.451 1.00 71.22 H new ATOM 0 HD11 LEU A 60 -9.550 -4.688 -3.118 1.00 71.33 H new ATOM 0 HD12 LEU A 60 -8.693 -6.038 -3.898 1.00 71.33 H new ATOM 0 HD13 LEU A 60 -7.833 -4.983 -2.752 1.00 71.33 H new ATOM 0 HD21 LEU A 60 -9.078 -2.360 -3.780 1.00 54.13 H new ATOM 0 HD22 LEU A 60 -7.343 -2.563 -3.441 1.00 54.13 H new ATOM 0 HD23 LEU A 60 -7.877 -2.009 -5.046 1.00 54.13 H new ATOM 954 N ILE A 61 -4.579 -6.351 -6.527 1.00 3.02 N ATOM 955 CA ILE A 61 -3.317 -6.453 -7.250 1.00 32.21 C ATOM 956 C ILE A 61 -2.675 -7.821 -7.044 1.00 41.12 C ATOM 957 O ILE A 61 -1.706 -7.974 -6.300 1.00 43.44 O ATOM 958 CB ILE A 61 -2.325 -5.361 -6.808 1.00 71.04 C ATOM 959 CG1 ILE A 61 -2.950 -3.975 -6.979 1.00 0.22 C ATOM 960 CG2 ILE A 61 -1.033 -5.467 -7.604 1.00 4.22 C ATOM 961 CD1 ILE A 61 -3.473 -3.385 -5.688 1.00 32.01 C ATOM 0 H ILE A 61 -4.559 -6.744 -5.586 1.00 3.02 H new ATOM 0 HA ILE A 61 -3.547 -6.317 -8.307 1.00 32.21 H new ATOM 0 HB ILE A 61 -2.092 -5.506 -5.753 1.00 71.04 H new ATOM 0 HG12 ILE A 61 -2.207 -3.300 -7.403 1.00 0.22 H new ATOM 0 HG13 ILE A 61 -3.768 -4.040 -7.697 1.00 0.22 H new ATOM 0 HG21 ILE A 61 -0.342 -4.689 -7.281 1.00 4.22 H new ATOM 0 HG22 ILE A 61 -0.582 -6.445 -7.437 1.00 4.22 H new ATOM 0 HG23 ILE A 61 -1.248 -5.343 -8.665 1.00 4.22 H new ATOM 0 HD11 ILE A 61 -3.902 -2.402 -5.884 1.00 32.01 H new ATOM 0 HD12 ILE A 61 -4.240 -4.039 -5.273 1.00 32.01 H new ATOM 0 HD13 ILE A 61 -2.655 -3.288 -4.975 1.00 32.01 H new ATOM 973 N PRO A 62 -3.225 -8.841 -7.720 1.00 12.42 N ATOM 974 CA PRO A 62 -2.721 -10.214 -7.629 1.00 44.04 C ATOM 975 C PRO A 62 -1.360 -10.377 -8.298 1.00 40.22 C ATOM 976 O PRO A 62 -1.263 -10.440 -9.523 1.00 1.30 O ATOM 977 CB PRO A 62 -3.782 -11.031 -8.370 1.00 61.24 C ATOM 978 CG PRO A 62 -4.411 -10.067 -9.315 1.00 55.41 C ATOM 979 CD PRO A 62 -4.382 -8.731 -8.624 1.00 70.33 C ATOM 0 HA PRO A 62 -2.569 -10.525 -6.595 1.00 44.04 H new ATOM 0 HB2 PRO A 62 -3.335 -11.871 -8.901 1.00 61.24 H new ATOM 0 HB3 PRO A 62 -4.517 -11.445 -7.679 1.00 61.24 H new ATOM 0 HG2 PRO A 62 -3.864 -10.031 -10.257 1.00 55.41 H new ATOM 0 HG3 PRO A 62 -5.433 -10.362 -9.551 1.00 55.41 H new ATOM 0 HD2 PRO A 62 -4.261 -7.913 -9.335 1.00 70.33 H new ATOM 0 HD3 PRO A 62 -5.305 -8.542 -8.075 1.00 70.33 H new ATOM 987 N GLY A 63 -0.310 -10.445 -7.485 1.00 51.00 N ATOM 988 CA GLY A 63 1.031 -10.600 -8.017 1.00 22.22 C ATOM 989 C GLY A 63 1.985 -9.541 -7.501 1.00 64.24 C ATOM 990 O GLY A 63 2.596 -8.813 -8.283 1.00 63.32 O ATOM 0 H GLY A 63 -0.364 -10.395 -6.468 1.00 51.00 H new ATOM 0 HA2 GLY A 63 1.411 -11.587 -7.753 1.00 22.22 H new ATOM 0 HA3 GLY A 63 0.995 -10.553 -9.105 1.00 22.22 H new ATOM 994 N ALA A 64 2.113 -9.453 -6.181 1.00 74.54 N ATOM 995 CA ALA A 64 2.999 -8.476 -5.563 1.00 24.03 C ATOM 996 C ALA A 64 3.426 -8.926 -4.169 1.00 53.04 C ATOM 997 O ALA A 64 2.920 -9.919 -3.645 1.00 0.21 O ATOM 998 CB ALA A 64 2.321 -7.116 -5.496 1.00 11.24 C ATOM 0 H ALA A 64 1.614 -10.047 -5.519 1.00 74.54 H new ATOM 0 HA ALA A 64 3.894 -8.393 -6.180 1.00 24.03 H new ATOM 0 HB1 ALA A 64 2.995 -6.396 -5.032 1.00 11.24 H new ATOM 0 HB2 ALA A 64 2.073 -6.783 -6.504 1.00 11.24 H new ATOM 0 HB3 ALA A 64 1.409 -7.193 -4.904 1.00 11.24 H new ATOM 1004 N HIS A 65 4.359 -8.190 -3.575 1.00 24.13 N ATOM 1005 CA HIS A 65 4.854 -8.514 -2.241 1.00 72.02 C ATOM 1006 C HIS A 65 4.094 -7.730 -1.175 1.00 63.30 C ATOM 1007 O HIS A 65 4.196 -6.506 -1.100 1.00 53.52 O ATOM 1008 CB HIS A 65 6.350 -8.214 -2.142 1.00 72.43 C ATOM 1009 CG HIS A 65 7.033 -8.940 -1.025 1.00 24.33 C ATOM 1010 ND1 HIS A 65 8.397 -8.899 -0.823 1.00 12.30 N ATOM 1011 CD2 HIS A 65 6.533 -9.728 -0.044 1.00 64.11 C ATOM 1012 CE1 HIS A 65 8.706 -9.631 0.232 1.00 1.12 C ATOM 1013 NE2 HIS A 65 7.593 -10.145 0.724 1.00 50.24 N ATOM 0 H HIS A 65 4.788 -7.365 -3.995 1.00 24.13 H new ATOM 0 HA HIS A 65 4.693 -9.578 -2.069 1.00 72.02 H new ATOM 0 HB2 HIS A 65 6.829 -8.481 -3.084 1.00 72.43 H new ATOM 0 HB3 HIS A 65 6.489 -7.141 -2.006 1.00 72.43 H new ATOM 0 HD2 HIS A 65 5.494 -9.982 0.107 1.00 64.11 H new ATOM 0 HE1 HIS A 65 9.700 -9.783 0.626 1.00 1.12 H new ATOM 0 HE2 HIS A 65 7.531 -10.753 1.541 1.00 50.24 H new ATOM 1021 N PHE A 66 3.333 -8.444 -0.353 1.00 21.45 N ATOM 1022 CA PHE A 66 2.555 -7.816 0.708 1.00 11.44 C ATOM 1023 C PHE A 66 3.086 -8.214 2.082 1.00 25.11 C ATOM 1024 O PHE A 66 3.760 -9.233 2.226 1.00 65.52 O ATOM 1025 CB PHE A 66 1.080 -8.205 0.587 1.00 1.43 C ATOM 1026 CG PHE A 66 0.251 -7.190 -0.147 1.00 11.01 C ATOM 1027 CD1 PHE A 66 0.219 -7.173 -1.532 1.00 5.31 C ATOM 1028 CD2 PHE A 66 -0.497 -6.253 0.548 1.00 22.02 C ATOM 1029 CE1 PHE A 66 -0.543 -6.241 -2.211 1.00 2.33 C ATOM 1030 CE2 PHE A 66 -1.261 -5.319 -0.125 1.00 52.01 C ATOM 1031 CZ PHE A 66 -1.283 -5.312 -1.506 1.00 53.11 C ATOM 0 H PHE A 66 3.238 -9.458 -0.401 1.00 21.45 H new ATOM 0 HA PHE A 66 2.649 -6.735 0.601 1.00 11.44 H new ATOM 0 HB2 PHE A 66 1.006 -9.163 0.073 1.00 1.43 H new ATOM 0 HB3 PHE A 66 0.667 -8.347 1.586 1.00 1.43 H new ATOM 0 HD1 PHE A 66 0.797 -7.897 -2.088 1.00 5.31 H new ATOM 0 HD2 PHE A 66 -0.483 -6.253 1.628 1.00 22.02 H new ATOM 0 HE1 PHE A 66 -0.560 -6.239 -3.291 1.00 2.33 H new ATOM 0 HE2 PHE A 66 -1.841 -4.595 0.428 1.00 52.01 H new ATOM 0 HZ PHE A 66 -1.878 -4.581 -2.034 1.00 53.11 H new ATOM 1041 N GLU A 67 2.778 -7.402 3.088 1.00 10.40 N ATOM 1042 CA GLU A 67 3.226 -7.669 4.450 1.00 51.33 C ATOM 1043 C GLU A 67 2.208 -7.160 5.467 1.00 44.12 C ATOM 1044 O GLU A 67 1.993 -5.955 5.598 1.00 44.31 O ATOM 1045 CB GLU A 67 4.586 -7.014 4.701 1.00 53.53 C ATOM 1046 CG GLU A 67 5.742 -7.999 4.719 1.00 61.03 C ATOM 1047 CD GLU A 67 7.085 -7.327 4.506 1.00 13.05 C ATOM 1048 OE1 GLU A 67 7.302 -6.770 3.410 1.00 14.40 O ATOM 1049 OE2 GLU A 67 7.918 -7.358 5.436 1.00 62.53 O ATOM 0 H GLU A 67 2.220 -6.554 2.986 1.00 10.40 H new ATOM 0 HA GLU A 67 3.324 -8.748 4.568 1.00 51.33 H new ATOM 0 HB2 GLU A 67 4.768 -6.267 3.928 1.00 53.53 H new ATOM 0 HB3 GLU A 67 4.555 -6.486 5.654 1.00 53.53 H new ATOM 0 HG2 GLU A 67 5.751 -8.526 5.673 1.00 61.03 H new ATOM 0 HG3 GLU A 67 5.588 -8.749 3.943 1.00 61.03 H new ATOM 1056 N LYS A 68 1.584 -8.087 6.185 1.00 61.31 N ATOM 1057 CA LYS A 68 0.589 -7.735 7.191 1.00 25.33 C ATOM 1058 C LYS A 68 1.093 -8.066 8.593 1.00 74.54 C ATOM 1059 O LYS A 68 0.370 -7.905 9.576 1.00 33.20 O ATOM 1060 CB LYS A 68 -0.723 -8.475 6.921 1.00 10.42 C ATOM 1061 CG LYS A 68 -0.543 -9.772 6.153 1.00 72.41 C ATOM 1062 CD LYS A 68 -1.698 -10.729 6.397 1.00 62.51 C ATOM 1063 CE LYS A 68 -1.203 -12.097 6.842 1.00 75.43 C ATOM 1064 NZ LYS A 68 -0.670 -12.892 5.701 1.00 21.20 N ATOM 0 H LYS A 68 1.750 -9.089 6.089 1.00 61.31 H new ATOM 0 HA LYS A 68 0.412 -6.661 7.131 1.00 25.33 H new ATOM 0 HB2 LYS A 68 -1.211 -8.690 7.872 1.00 10.42 H new ATOM 0 HB3 LYS A 68 -1.391 -7.821 6.361 1.00 10.42 H new ATOM 0 HG2 LYS A 68 -0.466 -9.557 5.087 1.00 72.41 H new ATOM 0 HG3 LYS A 68 0.392 -10.246 6.451 1.00 72.41 H new ATOM 0 HD2 LYS A 68 -2.360 -10.315 7.157 1.00 62.51 H new ATOM 0 HD3 LYS A 68 -2.285 -10.832 5.485 1.00 62.51 H new ATOM 0 HE2 LYS A 68 -0.424 -11.974 7.594 1.00 75.43 H new ATOM 0 HE3 LYS A 68 -2.020 -12.643 7.315 1.00 75.43 H new ATOM 0 HZ1 LYS A 68 -0.343 -13.817 6.045 1.00 21.20 H new ATOM 0 HZ2 LYS A 68 -1.420 -13.031 4.994 1.00 21.20 H new ATOM 0 HZ3 LYS A 68 0.126 -12.384 5.265 1.00 21.20 H new ATOM 1078 N ARG A 69 2.336 -8.529 8.676 1.00 11.52 N ATOM 1079 CA ARG A 69 2.935 -8.882 9.958 1.00 42.35 C ATOM 1080 C ARG A 69 2.715 -7.774 10.984 1.00 21.52 C ATOM 1081 O ARG A 69 2.140 -8.006 12.048 1.00 70.12 O ATOM 1082 CB ARG A 69 4.433 -9.145 9.789 1.00 74.21 C ATOM 1083 CG ARG A 69 4.939 -10.325 10.602 1.00 32.23 C ATOM 1084 CD ARG A 69 6.454 -10.306 10.729 1.00 41.42 C ATOM 1085 NE ARG A 69 6.886 -9.981 12.086 1.00 71.43 N ATOM 1086 CZ ARG A 69 6.909 -10.862 13.080 1.00 62.33 C ATOM 1087 NH1 ARG A 69 6.528 -12.115 12.869 1.00 12.53 N ATOM 1088 NH2 ARG A 69 7.315 -10.491 14.287 1.00 23.23 N ATOM 0 H ARG A 69 2.948 -8.668 7.872 1.00 11.52 H new ATOM 0 HA ARG A 69 2.452 -9.790 10.320 1.00 42.35 H new ATOM 0 HB2 ARG A 69 4.645 -9.323 8.735 1.00 74.21 H new ATOM 0 HB3 ARG A 69 4.985 -8.251 10.079 1.00 74.21 H new ATOM 0 HG2 ARG A 69 4.489 -10.304 11.595 1.00 32.23 H new ATOM 0 HG3 ARG A 69 4.624 -11.255 10.129 1.00 32.23 H new ATOM 0 HD2 ARG A 69 6.854 -11.279 10.445 1.00 41.42 H new ATOM 0 HD3 ARG A 69 6.867 -9.576 10.033 1.00 41.42 H new ATOM 0 HE ARG A 69 7.186 -9.026 12.281 1.00 71.43 H new ATOM 0 HH11 ARG A 69 6.216 -12.404 11.942 1.00 12.53 H new ATOM 0 HH12 ARG A 69 6.547 -12.789 13.634 1.00 12.53 H new ATOM 0 HH21 ARG A 69 7.610 -9.529 14.452 1.00 23.23 H new ATOM 0 HH22 ARG A 69 7.332 -11.168 15.050 1.00 23.23 H new ATOM 1102 N ARG A 70 3.177 -6.572 10.658 1.00 0.21 N ATOM 1103 CA ARG A 70 3.032 -5.430 11.552 1.00 4.54 C ATOM 1104 C ARG A 70 2.855 -4.138 10.760 1.00 54.31 C ATOM 1105 O ARG A 70 2.905 -3.043 11.318 1.00 4.24 O ATOM 1106 CB ARG A 70 4.252 -5.314 12.469 1.00 70.53 C ATOM 1107 CG ARG A 70 3.931 -5.524 13.939 1.00 14.35 C ATOM 1108 CD ARG A 70 3.791 -4.199 14.673 1.00 12.00 C ATOM 1109 NE ARG A 70 3.965 -4.351 16.115 1.00 12.21 N ATOM 1110 CZ ARG A 70 5.150 -4.447 16.706 1.00 24.02 C ATOM 1111 NH1 ARG A 70 6.261 -4.407 15.983 1.00 52.22 N ATOM 1112 NH2 ARG A 70 5.227 -4.583 18.024 1.00 61.21 N ATOM 0 H ARG A 70 3.655 -6.364 9.781 1.00 0.21 H new ATOM 0 HA ARG A 70 2.142 -5.589 12.160 1.00 4.54 H new ATOM 0 HB2 ARG A 70 4.999 -6.046 12.161 1.00 70.53 H new ATOM 0 HB3 ARG A 70 4.700 -4.329 12.341 1.00 70.53 H new ATOM 0 HG2 ARG A 70 3.006 -6.093 14.033 1.00 14.35 H new ATOM 0 HG3 ARG A 70 4.719 -6.117 14.404 1.00 14.35 H new ATOM 0 HD2 ARG A 70 4.529 -3.493 14.291 1.00 12.00 H new ATOM 0 HD3 ARG A 70 2.808 -3.774 14.469 1.00 12.00 H new ATOM 0 HE ARG A 70 3.130 -4.385 16.700 1.00 12.21 H new ATOM 0 HH11 ARG A 70 6.207 -4.302 14.970 1.00 52.22 H new ATOM 0 HH12 ARG A 70 7.170 -4.481 16.440 1.00 52.22 H new ATOM 0 HH21 ARG A 70 4.375 -4.614 18.584 1.00 61.21 H new ATOM 0 HH22 ARG A 70 6.138 -4.657 18.477 1.00 61.21 H new ATOM 1126 N GLY A 71 2.646 -4.274 9.454 1.00 63.43 N ATOM 1127 CA GLY A 71 2.465 -3.111 8.606 1.00 40.13 C ATOM 1128 C GLY A 71 3.535 -2.060 8.826 1.00 21.14 C ATOM 1129 O GLY A 71 3.322 -0.878 8.553 1.00 22.41 O ATOM 0 H GLY A 71 2.599 -5.170 8.968 1.00 63.43 H new ATOM 0 HA2 GLY A 71 2.475 -3.422 7.561 1.00 40.13 H new ATOM 0 HA3 GLY A 71 1.485 -2.674 8.799 1.00 40.13 H new ATOM 1133 N THR A 72 4.690 -2.490 9.325 1.00 44.34 N ATOM 1134 CA THR A 72 5.797 -1.577 9.585 1.00 72.50 C ATOM 1135 C THR A 72 5.324 -0.343 10.344 1.00 44.44 C ATOM 1136 O THR A 72 5.891 0.740 10.198 1.00 53.22 O ATOM 1137 CB THR A 72 6.478 -1.133 8.277 1.00 62.00 C ATOM 1138 OG1 THR A 72 5.959 -1.884 7.174 1.00 31.52 O ATOM 1139 CG2 THR A 72 7.985 -1.321 8.361 1.00 64.52 C ATOM 0 H THR A 72 4.883 -3.464 9.557 1.00 44.34 H new ATOM 0 HA THR A 72 6.519 -2.120 10.195 1.00 72.50 H new ATOM 0 HB THR A 72 6.268 -0.074 8.125 1.00 62.00 H new ATOM 0 HG1 THR A 72 6.396 -1.594 6.346 1.00 31.52 H new ATOM 0 HG21 THR A 72 8.444 -1.001 7.426 1.00 64.52 H new ATOM 0 HG22 THR A 72 8.381 -0.724 9.183 1.00 64.52 H new ATOM 0 HG23 THR A 72 8.211 -2.373 8.535 1.00 64.52 H new ATOM 1147 N GLN A 73 4.285 -0.513 11.154 1.00 74.33 N ATOM 1148 CA GLN A 73 3.737 0.589 11.935 1.00 13.03 C ATOM 1149 C GLN A 73 4.833 1.289 12.732 1.00 32.10 C ATOM 1150 O GLN A 73 5.703 0.641 13.311 1.00 25.30 O ATOM 1151 CB GLN A 73 2.648 0.080 12.881 1.00 21.45 C ATOM 1152 CG GLN A 73 3.127 -1.006 13.832 1.00 62.14 C ATOM 1153 CD GLN A 73 2.803 -0.699 15.280 1.00 2.52 C ATOM 1154 OE1 GLN A 73 1.806 -1.177 15.820 1.00 33.35 O ATOM 1155 NE2 GLN A 73 3.647 0.104 15.918 1.00 11.32 N ATOM 0 H GLN A 73 3.806 -1.403 11.287 1.00 74.33 H new ATOM 0 HA GLN A 73 3.300 1.309 11.243 1.00 13.03 H new ATOM 0 HB2 GLN A 73 2.264 0.917 13.463 1.00 21.45 H new ATOM 0 HB3 GLN A 73 1.817 -0.306 12.291 1.00 21.45 H new ATOM 0 HG2 GLN A 73 2.668 -1.955 13.554 1.00 62.14 H new ATOM 0 HG3 GLN A 73 4.205 -1.129 13.723 1.00 62.14 H new ATOM 0 HE21 GLN A 73 4.462 0.478 15.431 1.00 11.32 H new ATOM 0 HE22 GLN A 73 3.481 0.347 16.895 1.00 11.32 H new ATOM 1164 N GLY A 74 4.784 2.617 12.757 1.00 55.54 N ATOM 1165 CA GLY A 74 5.778 3.383 13.485 1.00 42.32 C ATOM 1166 C GLY A 74 6.390 4.487 12.644 1.00 31.54 C ATOM 1167 O GLY A 74 5.674 5.302 12.064 1.00 2.34 O ATOM 0 H GLY A 74 4.073 3.176 12.286 1.00 55.54 H new ATOM 0 HA2 GLY A 74 5.318 3.819 14.372 1.00 42.32 H new ATOM 0 HA3 GLY A 74 6.566 2.714 13.830 1.00 42.32 H new ATOM 1171 N GLU A 75 7.717 4.512 12.580 1.00 5.50 N ATOM 1172 CA GLU A 75 8.424 5.526 11.806 1.00 4.21 C ATOM 1173 C GLU A 75 7.989 5.496 10.344 1.00 51.11 C ATOM 1174 O GLU A 75 8.071 6.502 9.640 1.00 0.20 O ATOM 1175 CB GLU A 75 9.936 5.312 11.904 1.00 63.12 C ATOM 1176 CG GLU A 75 10.734 6.605 11.929 1.00 70.14 C ATOM 1177 CD GLU A 75 12.184 6.388 12.315 1.00 2.40 C ATOM 1178 OE1 GLU A 75 12.845 5.536 11.687 1.00 63.34 O ATOM 1179 OE2 GLU A 75 12.658 7.073 13.246 1.00 32.44 O ATOM 0 H GLU A 75 8.324 3.843 13.054 1.00 5.50 H new ATOM 0 HA GLU A 75 8.175 6.502 12.221 1.00 4.21 H new ATOM 0 HB2 GLU A 75 10.156 4.742 12.807 1.00 63.12 H new ATOM 0 HB3 GLU A 75 10.265 4.709 11.058 1.00 63.12 H new ATOM 0 HG2 GLU A 75 10.690 7.074 10.946 1.00 70.14 H new ATOM 0 HG3 GLU A 75 10.274 7.298 12.634 1.00 70.14 H new ATOM 1186 N ALA A 76 7.526 4.334 9.894 1.00 1.32 N ATOM 1187 CA ALA A 76 7.076 4.173 8.517 1.00 24.52 C ATOM 1188 C ALA A 76 5.886 5.077 8.219 1.00 54.23 C ATOM 1189 O ALA A 76 5.553 5.319 7.058 1.00 5.23 O ATOM 1190 CB ALA A 76 6.718 2.719 8.246 1.00 22.23 C ATOM 0 H ALA A 76 7.453 3.491 10.463 1.00 1.32 H new ATOM 0 HA ALA A 76 7.893 4.464 7.857 1.00 24.52 H new ATOM 0 HB1 ALA A 76 6.383 2.613 7.214 1.00 22.23 H new ATOM 0 HB2 ALA A 76 7.594 2.092 8.410 1.00 22.23 H new ATOM 0 HB3 ALA A 76 5.919 2.409 8.920 1.00 22.23 H new ATOM 1196 N ARG A 77 5.247 5.573 9.273 1.00 15.40 N ATOM 1197 CA ARG A 77 4.091 6.450 9.123 1.00 22.12 C ATOM 1198 C ARG A 77 4.499 7.788 8.513 1.00 22.23 C ATOM 1199 O ARG A 77 3.658 8.539 8.021 1.00 10.12 O ATOM 1200 CB ARG A 77 3.419 6.679 10.478 1.00 32.21 C ATOM 1201 CG ARG A 77 1.908 6.820 10.392 1.00 51.30 C ATOM 1202 CD ARG A 77 1.203 5.554 10.851 1.00 33.32 C ATOM 1203 NE ARG A 77 -0.182 5.808 11.240 1.00 41.41 N ATOM 1204 CZ ARG A 77 -1.180 5.920 10.371 1.00 14.20 C ATOM 1205 NH1 ARG A 77 -0.949 5.800 9.071 1.00 20.11 N ATOM 1206 NH2 ARG A 77 -2.414 6.152 10.802 1.00 3.20 N ATOM 0 H ARG A 77 5.510 5.383 10.240 1.00 15.40 H new ATOM 0 HA ARG A 77 3.383 5.965 8.451 1.00 22.12 H new ATOM 0 HB2 ARG A 77 3.661 5.847 11.139 1.00 32.21 H new ATOM 0 HB3 ARG A 77 3.834 7.578 10.933 1.00 32.21 H new ATOM 0 HG2 ARG A 77 1.585 7.661 11.006 1.00 51.30 H new ATOM 0 HG3 ARG A 77 1.621 7.046 9.365 1.00 51.30 H new ATOM 0 HD2 ARG A 77 1.225 4.816 10.049 1.00 33.32 H new ATOM 0 HD3 ARG A 77 1.743 5.124 11.694 1.00 33.32 H new ATOM 0 HE ARG A 77 -0.394 5.905 12.233 1.00 41.41 H new ATOM 0 HH11 ARG A 77 -0.002 5.621 8.736 1.00 20.11 H new ATOM 0 HH12 ARG A 77 -1.718 5.887 8.406 1.00 20.11 H new ATOM 0 HH21 ARG A 77 -2.596 6.244 11.801 1.00 3.20 H new ATOM 0 HH22 ARG A 77 -3.180 6.238 10.134 1.00 3.20 H new ATOM 1220 N ALA A 78 5.796 8.078 8.550 1.00 15.33 N ATOM 1221 CA ALA A 78 6.315 9.324 8.000 1.00 2.12 C ATOM 1222 C ALA A 78 7.284 9.056 6.854 1.00 41.03 C ATOM 1223 O ALA A 78 7.172 9.651 5.782 1.00 43.05 O ATOM 1224 CB ALA A 78 6.996 10.139 9.090 1.00 64.30 C ATOM 0 H ALA A 78 6.506 7.467 8.955 1.00 15.33 H new ATOM 0 HA ALA A 78 5.475 9.896 7.605 1.00 2.12 H new ATOM 0 HB1 ALA A 78 7.379 11.067 8.665 1.00 64.30 H new ATOM 0 HB2 ALA A 78 6.276 10.369 9.875 1.00 64.30 H new ATOM 0 HB3 ALA A 78 7.821 9.565 9.511 1.00 64.30 H new ATOM 1230 N TYR A 79 8.235 8.158 7.087 1.00 52.14 N ATOM 1231 CA TYR A 79 9.226 7.814 6.074 1.00 73.11 C ATOM 1232 C TYR A 79 8.551 7.364 4.782 1.00 54.12 C ATOM 1233 O TYR A 79 9.060 7.602 3.687 1.00 71.03 O ATOM 1234 CB TYR A 79 10.151 6.710 6.590 1.00 51.51 C ATOM 1235 CG TYR A 79 10.474 5.657 5.554 1.00 15.22 C ATOM 1236 CD1 TYR A 79 11.282 5.952 4.463 1.00 1.53 C ATOM 1237 CD2 TYR A 79 9.969 4.367 5.666 1.00 43.54 C ATOM 1238 CE1 TYR A 79 11.579 4.994 3.514 1.00 21.31 C ATOM 1239 CE2 TYR A 79 10.262 3.402 4.722 1.00 2.00 C ATOM 1240 CZ TYR A 79 11.067 3.720 3.648 1.00 22.11 C ATOM 1241 OH TYR A 79 11.360 2.761 2.705 1.00 1.42 O ATOM 0 H TYR A 79 8.341 7.655 7.968 1.00 52.14 H new ATOM 0 HA TYR A 79 9.817 8.705 5.863 1.00 73.11 H new ATOM 0 HB2 TYR A 79 11.080 7.160 6.940 1.00 51.51 H new ATOM 0 HB3 TYR A 79 9.685 6.230 7.451 1.00 51.51 H new ATOM 0 HD1 TYR A 79 11.685 6.948 4.355 1.00 1.53 H new ATOM 0 HD2 TYR A 79 9.337 4.115 6.505 1.00 43.54 H new ATOM 0 HE1 TYR A 79 12.208 5.241 2.672 1.00 21.31 H new ATOM 0 HE2 TYR A 79 9.863 2.404 4.824 1.00 2.00 H new ATOM 0 HH TYR A 79 10.922 1.919 2.948 1.00 1.42 H new ATOM 1251 N SER A 80 7.400 6.713 4.919 1.00 60.22 N ATOM 1252 CA SER A 80 6.655 6.226 3.764 1.00 50.24 C ATOM 1253 C SER A 80 7.567 5.453 2.816 1.00 75.33 C ATOM 1254 O SER A 80 7.777 4.252 2.982 1.00 22.20 O ATOM 1255 CB SER A 80 6.002 7.394 3.022 1.00 44.40 C ATOM 1256 OG SER A 80 6.782 8.572 3.138 1.00 23.24 O ATOM 0 H SER A 80 6.963 6.511 5.818 1.00 60.22 H new ATOM 0 HA SER A 80 5.877 5.552 4.122 1.00 50.24 H new ATOM 0 HB2 SER A 80 5.879 7.137 1.970 1.00 44.40 H new ATOM 0 HB3 SER A 80 5.005 7.573 3.425 1.00 44.40 H new ATOM 0 HG SER A 80 7.726 8.355 2.988 1.00 23.24 H new ATOM 1262 N MET A 81 8.104 6.151 1.821 1.00 4.00 N ATOM 1263 CA MET A 81 8.995 5.531 0.846 1.00 35.15 C ATOM 1264 C MET A 81 10.375 6.179 0.882 1.00 61.42 C ATOM 1265 O MET A 81 10.619 7.104 1.657 1.00 33.41 O ATOM 1266 CB MET A 81 8.402 5.641 -0.560 1.00 3.32 C ATOM 1267 CG MET A 81 7.629 4.406 -0.992 1.00 40.23 C ATOM 1268 SD MET A 81 6.338 3.949 0.180 1.00 13.23 S ATOM 1269 CE MET A 81 5.296 5.405 0.121 1.00 4.35 C ATOM 0 H MET A 81 7.938 7.146 1.668 1.00 4.00 H new ATOM 0 HA MET A 81 9.102 4.478 1.106 1.00 35.15 H new ATOM 0 HB2 MET A 81 7.740 6.506 -0.600 1.00 3.32 H new ATOM 0 HB3 MET A 81 9.207 5.823 -1.272 1.00 3.32 H new ATOM 0 HG2 MET A 81 7.180 4.586 -1.969 1.00 40.23 H new ATOM 0 HG3 MET A 81 8.321 3.572 -1.108 1.00 40.23 H new ATOM 0 HE1 MET A 81 4.700 5.463 1.032 1.00 4.35 H new ATOM 0 HE2 MET A 81 5.919 6.295 0.038 1.00 4.35 H new ATOM 0 HE3 MET A 81 4.634 5.344 -0.742 1.00 4.35 H new ATOM 1279 N LYS A 82 11.276 5.687 0.038 1.00 41.10 N ATOM 1280 CA LYS A 82 12.632 6.218 -0.029 1.00 4.13 C ATOM 1281 C LYS A 82 12.680 7.482 -0.881 1.00 5.55 C ATOM 1282 O LYS A 82 12.434 7.439 -2.085 1.00 52.12 O ATOM 1283 CB LYS A 82 13.586 5.167 -0.602 1.00 51.42 C ATOM 1284 CG LYS A 82 14.395 4.438 0.456 1.00 31.12 C ATOM 1285 CD LYS A 82 15.654 5.205 0.823 1.00 10.40 C ATOM 1286 CE LYS A 82 16.574 4.377 1.708 1.00 54.54 C ATOM 1287 NZ LYS A 82 17.009 5.132 2.915 1.00 44.51 N ATOM 0 H LYS A 82 11.091 4.921 -0.609 1.00 41.10 H new ATOM 0 HA LYS A 82 12.946 6.471 0.983 1.00 4.13 H new ATOM 0 HB2 LYS A 82 13.010 4.439 -1.173 1.00 51.42 H new ATOM 0 HB3 LYS A 82 14.269 5.651 -1.300 1.00 51.42 H new ATOM 0 HG2 LYS A 82 13.784 4.293 1.347 1.00 31.12 H new ATOM 0 HG3 LYS A 82 14.665 3.447 0.090 1.00 31.12 H new ATOM 0 HD2 LYS A 82 16.183 5.493 -0.085 1.00 10.40 H new ATOM 0 HD3 LYS A 82 15.383 6.126 1.339 1.00 10.40 H new ATOM 0 HE2 LYS A 82 16.060 3.466 2.015 1.00 54.54 H new ATOM 0 HE3 LYS A 82 17.450 4.071 1.136 1.00 54.54 H new ATOM 0 HZ1 LYS A 82 17.634 4.534 3.492 1.00 44.51 H new ATOM 0 HZ2 LYS A 82 17.522 5.988 2.623 1.00 44.51 H new ATOM 0 HZ3 LYS A 82 16.175 5.402 3.475 1.00 44.51 H new ATOM 1301 N GLU A 83 13.001 8.606 -0.246 1.00 51.15 N ATOM 1302 CA GLU A 83 13.082 9.882 -0.948 1.00 72.10 C ATOM 1303 C GLU A 83 14.207 9.866 -1.978 1.00 63.13 C ATOM 1304 O GLU A 83 14.101 10.481 -3.040 1.00 34.34 O ATOM 1305 CB GLU A 83 13.303 11.023 0.047 1.00 55.21 C ATOM 1306 CG GLU A 83 12.013 11.602 0.605 1.00 3.10 C ATOM 1307 CD GLU A 83 11.737 13.005 0.100 1.00 73.33 C ATOM 1308 OE1 GLU A 83 11.237 13.139 -1.037 1.00 32.24 O ATOM 1309 OE2 GLU A 83 12.020 13.969 0.842 1.00 64.44 O ATOM 0 H GLU A 83 13.209 8.659 0.751 1.00 51.15 H new ATOM 0 HA GLU A 83 12.138 10.041 -1.469 1.00 72.10 H new ATOM 0 HB2 GLU A 83 13.916 10.661 0.872 1.00 55.21 H new ATOM 0 HB3 GLU A 83 13.866 11.817 -0.443 1.00 55.21 H new ATOM 0 HG2 GLU A 83 11.181 10.952 0.335 1.00 3.10 H new ATOM 0 HG3 GLU A 83 12.066 11.616 1.694 1.00 3.10 H new ATOM 1316 N ASP A 84 15.285 9.159 -1.657 1.00 42.00 N ATOM 1317 CA ASP A 84 16.431 9.062 -2.554 1.00 21.22 C ATOM 1318 C ASP A 84 16.010 8.523 -3.917 1.00 53.15 C ATOM 1319 O ASP A 84 16.530 8.943 -4.951 1.00 44.15 O ATOM 1320 CB ASP A 84 17.507 8.160 -1.946 1.00 14.33 C ATOM 1321 CG ASP A 84 18.041 8.701 -0.634 1.00 30.52 C ATOM 1322 OD1 ASP A 84 18.762 9.720 -0.661 1.00 51.13 O ATOM 1323 OD2 ASP A 84 17.738 8.104 0.420 1.00 15.34 O ATOM 0 H ASP A 84 15.389 8.645 -0.782 1.00 42.00 H new ATOM 0 HA ASP A 84 16.840 10.063 -2.689 1.00 21.22 H new ATOM 0 HB2 ASP A 84 17.094 7.164 -1.784 1.00 14.33 H new ATOM 0 HB3 ASP A 84 18.329 8.053 -2.653 1.00 14.33 H new ATOM 1328 N THR A 85 15.063 7.589 -3.913 1.00 5.23 N ATOM 1329 CA THR A 85 14.574 6.991 -5.148 1.00 54.21 C ATOM 1330 C THR A 85 13.130 7.399 -5.422 1.00 24.33 C ATOM 1331 O THR A 85 12.490 6.875 -6.333 1.00 35.41 O ATOM 1332 CB THR A 85 14.661 5.454 -5.101 1.00 51.05 C ATOM 1333 OG1 THR A 85 14.211 4.976 -3.829 1.00 14.10 O ATOM 1334 CG2 THR A 85 16.087 4.985 -5.349 1.00 52.32 C ATOM 0 H THR A 85 14.620 7.231 -3.067 1.00 5.23 H new ATOM 0 HA THR A 85 15.212 7.359 -5.952 1.00 54.21 H new ATOM 0 HB THR A 85 14.021 5.052 -5.886 1.00 51.05 H new ATOM 0 HG1 THR A 85 14.268 3.998 -3.808 1.00 14.10 H new ATOM 0 HG21 THR A 85 16.124 3.896 -5.311 1.00 52.32 H new ATOM 0 HG22 THR A 85 16.416 5.325 -6.331 1.00 52.32 H new ATOM 0 HG23 THR A 85 16.744 5.397 -4.583 1.00 52.32 H new ATOM 1342 N ARG A 86 12.625 8.337 -4.628 1.00 33.12 N ATOM 1343 CA ARG A 86 11.256 8.814 -4.785 1.00 1.33 C ATOM 1344 C ARG A 86 11.078 9.522 -6.125 1.00 15.13 C ATOM 1345 O ARG A 86 11.800 10.469 -6.440 1.00 75.00 O ATOM 1346 CB ARG A 86 10.890 9.763 -3.642 1.00 2.11 C ATOM 1347 CG ARG A 86 9.545 10.446 -3.824 1.00 54.05 C ATOM 1348 CD ARG A 86 8.991 10.950 -2.501 1.00 24.24 C ATOM 1349 NE ARG A 86 8.222 12.181 -2.662 1.00 23.13 N ATOM 1350 CZ ARG A 86 7.977 13.029 -1.670 1.00 1.44 C ATOM 1351 NH1 ARG A 86 8.439 12.782 -0.452 1.00 34.44 N ATOM 1352 NH2 ARG A 86 7.269 14.129 -1.895 1.00 23.10 N ATOM 0 H ARG A 86 13.143 8.782 -3.870 1.00 33.12 H new ATOM 0 HA ARG A 86 10.591 7.951 -4.758 1.00 1.33 H new ATOM 0 HB2 ARG A 86 10.880 9.204 -2.706 1.00 2.11 H new ATOM 0 HB3 ARG A 86 11.665 10.524 -3.551 1.00 2.11 H new ATOM 0 HG2 ARG A 86 9.651 11.281 -4.517 1.00 54.05 H new ATOM 0 HG3 ARG A 86 8.839 9.747 -4.272 1.00 54.05 H new ATOM 0 HD2 ARG A 86 8.357 10.182 -2.058 1.00 24.24 H new ATOM 0 HD3 ARG A 86 9.813 11.125 -1.807 1.00 24.24 H new ATOM 0 HE ARG A 86 7.853 12.401 -3.587 1.00 23.13 H new ATOM 0 HH11 ARG A 86 8.984 11.939 -0.275 1.00 34.44 H new ATOM 0 HH12 ARG A 86 8.249 13.436 0.308 1.00 34.44 H new ATOM 0 HH21 ARG A 86 6.913 14.324 -2.831 1.00 23.10 H new ATOM 0 HH22 ARG A 86 7.081 14.780 -1.132 1.00 23.10 H new ATOM 1366 N LEU A 87 10.112 9.057 -6.910 1.00 21.45 N ATOM 1367 CA LEU A 87 9.838 9.644 -8.216 1.00 45.34 C ATOM 1368 C LEU A 87 8.624 10.565 -8.156 1.00 74.40 C ATOM 1369 O LEU A 87 8.718 11.753 -8.463 1.00 33.54 O ATOM 1370 CB LEU A 87 9.608 8.544 -9.254 1.00 41.20 C ATOM 1371 CG LEU A 87 10.425 8.654 -10.542 1.00 4.33 C ATOM 1372 CD1 LEU A 87 9.955 7.629 -11.562 1.00 11.22 C ATOM 1373 CD2 LEU A 87 10.332 10.061 -11.114 1.00 53.12 C ATOM 0 H LEU A 87 9.505 8.275 -6.664 1.00 21.45 H new ATOM 0 HA LEU A 87 10.705 10.236 -8.509 1.00 45.34 H new ATOM 0 HB2 LEU A 87 9.827 7.583 -8.790 1.00 41.20 H new ATOM 0 HB3 LEU A 87 8.550 8.537 -9.518 1.00 41.20 H new ATOM 0 HG LEU A 87 11.469 8.448 -10.306 1.00 4.33 H new ATOM 0 HD11 LEU A 87 10.548 7.723 -12.472 1.00 11.22 H new ATOM 0 HD12 LEU A 87 10.075 6.626 -11.152 1.00 11.22 H new ATOM 0 HD13 LEU A 87 8.904 7.802 -11.794 1.00 11.22 H new ATOM 0 HD21 LEU A 87 10.919 10.121 -12.030 1.00 53.12 H new ATOM 0 HD22 LEU A 87 9.291 10.296 -11.335 1.00 53.12 H new ATOM 0 HD23 LEU A 87 10.719 10.775 -10.388 1.00 53.12 H new ATOM 1385 N GLU A 88 7.485 10.007 -7.757 1.00 14.32 N ATOM 1386 CA GLU A 88 6.252 10.779 -7.655 1.00 12.32 C ATOM 1387 C GLU A 88 5.614 10.607 -6.279 1.00 42.11 C ATOM 1388 O GLU A 88 6.082 9.817 -5.461 1.00 20.34 O ATOM 1389 CB GLU A 88 5.265 10.352 -8.743 1.00 51.54 C ATOM 1390 CG GLU A 88 4.764 11.505 -9.597 1.00 43.42 C ATOM 1391 CD GLU A 88 4.225 11.047 -10.938 1.00 40.12 C ATOM 1392 OE1 GLU A 88 4.903 10.237 -11.604 1.00 22.51 O ATOM 1393 OE2 GLU A 88 3.126 11.499 -11.322 1.00 60.52 O ATOM 0 H GLU A 88 7.391 9.025 -7.499 1.00 14.32 H new ATOM 0 HA GLU A 88 6.501 11.831 -7.792 1.00 12.32 H new ATOM 0 HB2 GLU A 88 5.744 9.615 -9.387 1.00 51.54 H new ATOM 0 HB3 GLU A 88 4.412 9.860 -8.275 1.00 51.54 H new ATOM 0 HG2 GLU A 88 3.981 12.038 -9.058 1.00 43.42 H new ATOM 0 HG3 GLU A 88 5.577 12.212 -9.759 1.00 43.42 H new ATOM 1400 N GLY A 89 4.542 11.354 -6.032 1.00 44.31 N ATOM 1401 CA GLY A 89 3.858 11.271 -4.755 1.00 61.31 C ATOM 1402 C GLY A 89 4.438 12.218 -3.723 1.00 71.25 C ATOM 1403 O GLY A 89 5.244 13.094 -4.037 1.00 62.24 O ATOM 0 H GLY A 89 4.135 12.015 -6.694 1.00 44.31 H new ATOM 0 HA2 GLY A 89 2.801 11.497 -4.897 1.00 61.31 H new ATOM 0 HA3 GLY A 89 3.918 10.249 -4.380 1.00 61.31 H new ATOM 1407 N PRO A 90 4.023 12.048 -2.459 1.00 41.03 N ATOM 1408 CA PRO A 90 3.063 11.009 -2.074 1.00 1.41 C ATOM 1409 C PRO A 90 1.660 11.293 -2.600 1.00 22.13 C ATOM 1410 O PRO A 90 1.392 12.372 -3.128 1.00 72.35 O ATOM 1411 CB PRO A 90 3.081 11.060 -0.544 1.00 62.31 C ATOM 1412 CG PRO A 90 3.511 12.448 -0.216 1.00 31.22 C ATOM 1413 CD PRO A 90 4.459 12.857 -1.309 1.00 10.32 C ATOM 0 HA PRO A 90 3.329 10.035 -2.485 1.00 1.41 H new ATOM 0 HB2 PRO A 90 2.097 10.842 -0.129 1.00 62.31 H new ATOM 0 HB3 PRO A 90 3.771 10.324 -0.131 1.00 62.31 H new ATOM 0 HG2 PRO A 90 2.655 13.121 -0.170 1.00 31.22 H new ATOM 0 HG3 PRO A 90 3.999 12.486 0.758 1.00 31.22 H new ATOM 0 HD2 PRO A 90 4.392 13.924 -1.520 1.00 10.32 H new ATOM 0 HD3 PRO A 90 5.495 12.649 -1.041 1.00 10.32 H new ATOM 1421 N TRP A 91 0.770 10.319 -2.451 1.00 32.14 N ATOM 1422 CA TRP A 91 -0.607 10.465 -2.911 1.00 24.14 C ATOM 1423 C TRP A 91 -1.582 9.843 -1.917 1.00 65.42 C ATOM 1424 O TRP A 91 -1.365 8.731 -1.436 1.00 73.24 O ATOM 1425 CB TRP A 91 -0.778 9.817 -4.286 1.00 3.52 C ATOM 1426 CG TRP A 91 -0.168 10.616 -5.398 1.00 63.41 C ATOM 1427 CD1 TRP A 91 -0.170 11.975 -5.529 1.00 14.05 C ATOM 1428 CD2 TRP A 91 0.532 10.103 -6.537 1.00 25.32 C ATOM 1429 NE1 TRP A 91 0.486 12.338 -6.680 1.00 10.12 N ATOM 1430 CE2 TRP A 91 0.927 11.208 -7.316 1.00 3.03 C ATOM 1431 CE3 TRP A 91 0.866 8.818 -6.973 1.00 61.22 C ATOM 1432 CZ2 TRP A 91 1.637 11.065 -8.505 1.00 72.30 C ATOM 1433 CZ3 TRP A 91 1.570 8.677 -8.154 1.00 0.20 C ATOM 1434 CH2 TRP A 91 1.950 9.795 -8.909 1.00 11.25 C ATOM 0 H TRP A 91 0.976 9.420 -2.016 1.00 32.14 H new ATOM 0 HA TRP A 91 -0.827 11.530 -2.989 1.00 24.14 H new ATOM 0 HB2 TRP A 91 -0.327 8.825 -4.271 1.00 3.52 H new ATOM 0 HB3 TRP A 91 -1.841 9.681 -4.486 1.00 3.52 H new ATOM 0 HD1 TRP A 91 -0.621 12.664 -4.830 1.00 14.05 H new ATOM 0 HE1 TRP A 91 0.623 13.294 -7.008 1.00 10.12 H new ATOM 0 HE3 TRP A 91 0.579 7.950 -6.397 1.00 61.22 H new ATOM 0 HZ2 TRP A 91 1.930 11.925 -9.088 1.00 72.30 H new ATOM 0 HZ3 TRP A 91 1.832 7.688 -8.501 1.00 0.20 H new ATOM 0 HH2 TRP A 91 2.500 9.652 -9.827 1.00 11.25 H new ATOM 1445 N GLU A 92 -2.654 10.567 -1.615 1.00 35.24 N ATOM 1446 CA GLU A 92 -3.662 10.084 -0.677 1.00 63.22 C ATOM 1447 C GLU A 92 -5.018 9.939 -1.362 1.00 44.13 C ATOM 1448 O GLU A 92 -5.426 10.800 -2.142 1.00 14.01 O ATOM 1449 CB GLU A 92 -3.779 11.036 0.515 1.00 73.12 C ATOM 1450 CG GLU A 92 -2.535 11.078 1.385 1.00 24.03 C ATOM 1451 CD GLU A 92 -2.593 12.172 2.434 1.00 21.51 C ATOM 1452 OE1 GLU A 92 -3.115 13.263 2.126 1.00 40.03 O ATOM 1453 OE2 GLU A 92 -2.116 11.935 3.564 1.00 32.11 O ATOM 0 H GLU A 92 -2.848 11.489 -2.005 1.00 35.24 H new ATOM 0 HA GLU A 92 -3.349 9.103 -0.320 1.00 63.22 H new ATOM 0 HB2 GLU A 92 -3.989 12.040 0.148 1.00 73.12 H new ATOM 0 HB3 GLU A 92 -4.630 10.736 1.127 1.00 73.12 H new ATOM 0 HG2 GLU A 92 -2.408 10.114 1.878 1.00 24.03 H new ATOM 0 HG3 GLU A 92 -1.660 11.231 0.754 1.00 24.03 H new ATOM 1460 N TYR A 93 -5.709 8.845 -1.066 1.00 74.41 N ATOM 1461 CA TYR A 93 -7.018 8.585 -1.655 1.00 64.40 C ATOM 1462 C TYR A 93 -7.961 7.959 -0.632 1.00 62.53 C ATOM 1463 O TYR A 93 -7.526 7.446 0.398 1.00 20.01 O ATOM 1464 CB TYR A 93 -6.880 7.664 -2.869 1.00 1.11 C ATOM 1465 CG TYR A 93 -6.295 8.348 -4.084 1.00 73.21 C ATOM 1466 CD1 TYR A 93 -7.113 9.001 -4.998 1.00 62.15 C ATOM 1467 CD2 TYR A 93 -4.926 8.340 -4.319 1.00 1.13 C ATOM 1468 CE1 TYR A 93 -6.583 9.626 -6.111 1.00 13.44 C ATOM 1469 CE2 TYR A 93 -4.388 8.964 -5.427 1.00 44.22 C ATOM 1470 CZ TYR A 93 -5.220 9.606 -6.320 1.00 72.23 C ATOM 1471 OH TYR A 93 -4.688 10.227 -7.427 1.00 1.44 O ATOM 0 H TYR A 93 -5.385 8.123 -0.422 1.00 74.41 H new ATOM 0 HA TYR A 93 -7.440 9.537 -1.976 1.00 64.40 H new ATOM 0 HB2 TYR A 93 -6.250 6.816 -2.601 1.00 1.11 H new ATOM 0 HB3 TYR A 93 -7.861 7.264 -3.125 1.00 1.11 H new ATOM 0 HD1 TYR A 93 -8.181 9.020 -4.836 1.00 62.15 H new ATOM 0 HD2 TYR A 93 -4.271 7.837 -3.623 1.00 1.13 H new ATOM 0 HE1 TYR A 93 -7.233 10.127 -6.813 1.00 13.44 H new ATOM 0 HE2 TYR A 93 -3.321 8.949 -5.593 1.00 44.22 H new ATOM 0 HH TYR A 93 -3.714 10.121 -7.425 1.00 1.44 H new ATOM 1481 N GLY A 94 -9.257 8.004 -0.926 1.00 42.03 N ATOM 1482 CA GLY A 94 -10.242 7.438 -0.024 1.00 75.21 C ATOM 1483 C GLY A 94 -10.473 8.302 1.199 1.00 2.44 C ATOM 1484 O GLY A 94 -10.460 9.530 1.111 1.00 61.42 O ATOM 0 H GLY A 94 -9.642 8.422 -1.773 1.00 42.03 H new ATOM 0 HA2 GLY A 94 -11.184 7.307 -0.556 1.00 75.21 H new ATOM 0 HA3 GLY A 94 -9.914 6.447 0.292 1.00 75.21 H new ATOM 1488 N GLU A 95 -10.686 7.661 2.344 1.00 23.21 N ATOM 1489 CA GLU A 95 -10.923 8.381 3.590 1.00 64.41 C ATOM 1490 C GLU A 95 -9.705 9.216 3.975 1.00 14.42 C ATOM 1491 O GLU A 95 -9.807 10.428 4.163 1.00 0.24 O ATOM 1492 CB GLU A 95 -11.259 7.400 4.715 1.00 3.14 C ATOM 1493 CG GLU A 95 -10.039 6.724 5.318 1.00 62.31 C ATOM 1494 CD GLU A 95 -9.496 7.466 6.524 1.00 72.02 C ATOM 1495 OE1 GLU A 95 -9.867 8.644 6.711 1.00 62.04 O ATOM 1496 OE2 GLU A 95 -8.702 6.870 7.280 1.00 25.30 O ATOM 0 H GLU A 95 -10.699 6.645 2.435 1.00 23.21 H new ATOM 0 HA GLU A 95 -11.769 9.052 3.438 1.00 64.41 H new ATOM 0 HB2 GLU A 95 -11.795 7.932 5.501 1.00 3.14 H new ATOM 0 HB3 GLU A 95 -11.934 6.636 4.330 1.00 3.14 H new ATOM 0 HG2 GLU A 95 -10.299 5.706 5.609 1.00 62.31 H new ATOM 0 HG3 GLU A 95 -9.259 6.649 4.561 1.00 62.31 H new