USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 979 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ 136:sc= 0.0143 (180deg=-0.0132) USER MOD Set 1.2: A 48 GLN : amide:sc= -0.548 K(o=-0.53,f=-1.1) USER MOD Set 2.1: A 14 MET CE :methyl 180:sc= -0.455 (180deg=-0.286) USER MOD Set 2.2: A 25 MET CE :methyl 158:sc= 0 (180deg=-0.708) USER MOD Set 2.3: A 84 MET CE :methyl -147:sc= 0 (180deg=-0.3) USER MOD Set 2.4: A 112 SER OG : rot -118:sc= 0.977 USER MOD Set 3.1: A 21 THR OG1 : rot -57:sc= 0.769 USER MOD Set 3.2: A 23 LYS NZ :NH3+ 179:sc= -0.158 (180deg=-0.159) USER MOD Set 4.1: A 6 THR OG1 : rot 136:sc= 1.28 USER MOD Set 4.2: A 123 ASN : amide:sc= 0.8 K(o=2.1,f=-3.9!) USER MOD Single : A 8 SER OG : rot 60:sc= 1.32 USER MOD Single : A 10 ASN : amide:sc= 0.383 K(o=0.38,f=-3.2!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 28 CYS SG : rot -140:sc= -2.02 USER MOD Single : A 29 MET CE :methyl -170:sc= -0.451 (180deg=-0.754) USER MOD Single : A 35 MET CE :methyl -167:sc= -0.259 (180deg=-0.591) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc=-0.00464 X(o=-0.0046,f=-0.45) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= 0.867 (180deg=0.717) USER MOD Single : A 42 TYR OH : rot 145:sc= -0.107 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 30:sc= 0.127 USER MOD Single : A 61 TYR OH : rot 32:sc= 0.922 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 63 SER OG : rot 82:sc= 1.24 USER MOD Single : A 64 LYS NZ :NH3+ -142:sc= 1.25 (180deg=1.08) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.692 K(o=0.69,f=-6.8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0485 X(o=-0.048,f=-0.048) USER MOD Single : A 83 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -26:sc= 0.349 USER MOD Single : A 91 HIS : no HD1:sc= -0.07 X(o=-0.07,f=-0.27) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 CYS SG : rot -179:sc= 1.03 USER MOD Single : A 102 MET CE :methyl 146:sc= -0.0513 (180deg=-0.247) USER MOD Single : A 104 SER OG : rot 75:sc= 0.0791 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0077 USER MOD Single : A 122 TYR OH : rot -21:sc= 0.991 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 8.011 -8.979 5.282 1.00 12.04 N ATOM 54 CA GLY A 5 8.763 -7.982 4.556 1.00 31.11 C ATOM 55 C GLY A 5 8.356 -8.070 3.091 1.00 43.24 C ATOM 56 O GLY A 5 7.288 -8.607 2.781 1.00 42.33 O ATOM 0 HA2 GLY A 5 8.559 -6.987 4.950 1.00 31.11 H new ATOM 0 HA3 GLY A 5 9.833 -8.155 4.666 1.00 31.11 H new ATOM 60 N THR A 6 9.196 -7.545 2.202 1.00 30.42 N ATOM 61 CA THR A 6 8.975 -7.584 0.766 1.00 73.33 C ATOM 62 C THR A 6 8.772 -9.029 0.293 1.00 23.45 C ATOM 63 O THR A 6 9.552 -9.928 0.627 1.00 24.43 O ATOM 64 CB THR A 6 10.136 -6.903 0.024 1.00 41.34 C ATOM 65 OG1 THR A 6 10.474 -5.700 0.687 1.00 64.52 O ATOM 66 CG2 THR A 6 9.778 -6.542 -1.423 1.00 3.22 C ATOM 0 H THR A 6 10.061 -7.074 2.467 1.00 30.42 H new ATOM 0 HA THR A 6 8.065 -7.030 0.535 1.00 73.33 H new ATOM 0 HB THR A 6 10.964 -7.612 0.015 1.00 41.34 H new ATOM 0 HG1 THR A 6 11.449 -5.625 0.752 1.00 64.52 H new ATOM 0 HG21 THR A 6 10.633 -6.064 -1.901 1.00 3.22 H new ATOM 0 HG22 THR A 6 9.516 -7.448 -1.970 1.00 3.22 H new ATOM 0 HG23 THR A 6 8.930 -5.857 -1.428 1.00 3.22 H new ATOM 74 N VAL A 7 7.737 -9.239 -0.515 1.00 62.34 N ATOM 75 CA VAL A 7 7.461 -10.458 -1.266 1.00 44.34 C ATOM 76 C VAL A 7 7.049 -10.071 -2.697 1.00 24.13 C ATOM 77 O VAL A 7 7.021 -8.883 -3.031 1.00 30.44 O ATOM 78 CB VAL A 7 6.391 -11.302 -0.550 1.00 73.55 C ATOM 79 CG1 VAL A 7 6.792 -11.750 0.861 1.00 52.10 C ATOM 80 CG2 VAL A 7 5.040 -10.577 -0.434 1.00 63.14 C ATOM 0 H VAL A 7 7.029 -8.522 -0.672 1.00 62.34 H new ATOM 0 HA VAL A 7 8.354 -11.080 -1.324 1.00 44.34 H new ATOM 0 HB VAL A 7 6.297 -12.180 -1.190 1.00 73.55 H new ATOM 0 HG11 VAL A 7 5.986 -12.339 1.298 1.00 52.10 H new ATOM 0 HG12 VAL A 7 7.697 -12.356 0.807 1.00 52.10 H new ATOM 0 HG13 VAL A 7 6.979 -10.874 1.482 1.00 52.10 H new ATOM 0 HG21 VAL A 7 4.325 -11.220 0.079 1.00 63.14 H new ATOM 0 HG22 VAL A 7 5.170 -9.654 0.132 1.00 63.14 H new ATOM 0 HG23 VAL A 7 4.666 -10.342 -1.431 1.00 63.14 H new ATOM 90 N SER A 8 6.674 -11.038 -3.542 1.00 3.34 N ATOM 91 CA SER A 8 5.973 -10.745 -4.786 1.00 71.43 C ATOM 92 C SER A 8 4.676 -11.524 -4.747 1.00 24.24 C ATOM 93 O SER A 8 4.643 -12.728 -5.026 1.00 41.32 O ATOM 94 CB SER A 8 6.813 -11.006 -6.048 1.00 13.41 C ATOM 95 OG SER A 8 6.059 -10.698 -7.208 1.00 43.13 O ATOM 0 H SER A 8 6.847 -12.030 -3.382 1.00 3.34 H new ATOM 0 HA SER A 8 5.768 -9.677 -4.857 1.00 71.43 H new ATOM 0 HB2 SER A 8 7.719 -10.401 -6.023 1.00 13.41 H new ATOM 0 HB3 SER A 8 7.127 -12.049 -6.076 1.00 13.41 H new ATOM 0 HG SER A 8 5.794 -9.755 -7.185 1.00 43.13 H new ATOM 101 N TRP A 9 3.609 -10.838 -4.368 1.00 64.31 N ATOM 102 CA TRP A 9 2.252 -11.307 -4.549 1.00 24.12 C ATOM 103 C TRP A 9 1.699 -10.661 -5.811 1.00 11.21 C ATOM 104 O TRP A 9 2.437 -10.116 -6.636 1.00 3.11 O ATOM 105 CB TRP A 9 1.458 -11.028 -3.262 1.00 32.32 C ATOM 106 CG TRP A 9 1.828 -11.897 -2.096 1.00 43.50 C ATOM 107 CD1 TRP A 9 2.639 -12.976 -2.136 1.00 1.02 C ATOM 108 CD2 TRP A 9 1.377 -11.805 -0.718 1.00 33.32 C ATOM 109 NE1 TRP A 9 2.806 -13.494 -0.867 1.00 63.13 N ATOM 110 CE2 TRP A 9 2.050 -12.798 0.052 1.00 52.30 C ATOM 111 CE3 TRP A 9 0.479 -10.960 -0.039 1.00 61.34 C ATOM 112 CZ2 TRP A 9 1.876 -12.906 1.438 1.00 0.23 C ATOM 113 CZ3 TRP A 9 0.289 -11.065 1.348 1.00 1.14 C ATOM 114 CH2 TRP A 9 0.985 -12.036 2.090 1.00 24.30 C ATOM 0 H TRP A 9 3.667 -9.924 -3.919 1.00 64.31 H new ATOM 0 HA TRP A 9 2.185 -12.384 -4.703 1.00 24.12 H new ATOM 0 HB2 TRP A 9 1.603 -9.985 -2.981 1.00 32.32 H new ATOM 0 HB3 TRP A 9 0.396 -11.157 -3.471 1.00 32.32 H new ATOM 0 HD1 TRP A 9 3.092 -13.376 -3.031 1.00 1.02 H new ATOM 0 HE1 TRP A 9 3.408 -14.285 -0.640 1.00 63.13 H new ATOM 0 HE3 TRP A 9 -0.074 -10.217 -0.595 1.00 61.34 H new ATOM 0 HZ2 TRP A 9 2.421 -13.650 2.000 1.00 0.23 H new ATOM 0 HZ3 TRP A 9 -0.396 -10.396 1.848 1.00 1.14 H new ATOM 0 HH2 TRP A 9 0.835 -12.113 3.157 1.00 24.30 H new ATOM 125 N ASN A 10 0.396 -10.797 -5.990 1.00 61.21 N ATOM 126 CA ASN A 10 -0.350 -10.034 -6.976 1.00 62.31 C ATOM 127 C ASN A 10 -1.481 -9.318 -6.278 1.00 1.01 C ATOM 128 O ASN A 10 -1.765 -9.593 -5.112 1.00 25.31 O ATOM 129 CB ASN A 10 -0.849 -10.926 -8.119 1.00 73.11 C ATOM 130 CG ASN A 10 -1.668 -12.098 -7.603 1.00 3.12 C ATOM 131 OD1 ASN A 10 -2.840 -11.964 -7.267 1.00 75.24 O ATOM 132 ND2 ASN A 10 -1.051 -13.260 -7.501 1.00 71.24 N ATOM 0 H ASN A 10 -0.178 -11.445 -5.451 1.00 61.21 H new ATOM 0 HA ASN A 10 0.305 -9.295 -7.438 1.00 62.31 H new ATOM 0 HB2 ASN A 10 -1.454 -10.333 -8.805 1.00 73.11 H new ATOM 0 HB3 ASN A 10 0.003 -11.300 -8.687 1.00 73.11 H new ATOM 0 HD21 ASN A 10 -1.549 -14.072 -7.136 1.00 71.24 H new ATOM 0 HD22 ASN A 10 -0.076 -13.346 -7.787 1.00 71.24 H new ATOM 139 N LEU A 11 -2.130 -8.414 -7.014 1.00 73.22 N ATOM 140 CA LEU A 11 -3.154 -7.550 -6.458 1.00 52.31 C ATOM 141 C LEU A 11 -4.243 -8.385 -5.807 1.00 42.10 C ATOM 142 O LEU A 11 -4.645 -8.053 -4.701 1.00 33.04 O ATOM 143 CB LEU A 11 -3.696 -6.586 -7.534 1.00 72.32 C ATOM 144 CG LEU A 11 -4.209 -5.225 -7.020 1.00 15.42 C ATOM 145 CD1 LEU A 11 -5.387 -5.305 -6.043 1.00 42.44 C ATOM 146 CD2 LEU A 11 -3.087 -4.406 -6.373 1.00 20.21 C ATOM 0 H LEU A 11 -1.956 -8.266 -8.008 1.00 73.22 H new ATOM 0 HA LEU A 11 -2.720 -6.926 -5.677 1.00 52.31 H new ATOM 0 HB2 LEU A 11 -2.906 -6.403 -8.262 1.00 72.32 H new ATOM 0 HB3 LEU A 11 -4.509 -7.083 -8.063 1.00 72.32 H new ATOM 0 HG LEU A 11 -4.575 -4.730 -7.919 1.00 15.42 H new ATOM 0 HD11 LEU A 11 -5.676 -4.299 -5.738 1.00 42.44 H new ATOM 0 HD12 LEU A 11 -6.231 -5.793 -6.530 1.00 42.44 H new ATOM 0 HD13 LEU A 11 -5.093 -5.880 -5.165 1.00 42.44 H new ATOM 0 HD21 LEU A 11 -3.487 -3.454 -6.023 1.00 20.21 H new ATOM 0 HD22 LEU A 11 -2.674 -4.958 -5.529 1.00 20.21 H new ATOM 0 HD23 LEU A 11 -2.301 -4.222 -7.106 1.00 20.21 H new ATOM 158 N ARG A 12 -4.683 -9.480 -6.439 1.00 42.20 N ATOM 159 CA ARG A 12 -5.673 -10.345 -5.816 1.00 31.32 C ATOM 160 C ARG A 12 -5.137 -10.945 -4.525 1.00 11.33 C ATOM 161 O ARG A 12 -5.861 -10.884 -3.543 1.00 63.13 O ATOM 162 CB ARG A 12 -6.162 -11.453 -6.762 1.00 31.24 C ATOM 163 CG ARG A 12 -7.475 -11.100 -7.454 1.00 21.13 C ATOM 164 CD ARG A 12 -7.878 -12.247 -8.386 1.00 30.53 C ATOM 165 NE ARG A 12 -9.112 -11.930 -9.117 1.00 50.05 N ATOM 166 CZ ARG A 12 -9.368 -12.142 -10.413 1.00 32.44 C ATOM 167 NH1 ARG A 12 -8.470 -12.696 -11.223 1.00 32.04 N ATOM 168 NH2 ARG A 12 -10.545 -11.767 -10.900 1.00 23.24 N ATOM 0 H ARG A 12 -4.372 -9.778 -7.364 1.00 42.20 H new ATOM 0 HA ARG A 12 -6.533 -9.718 -5.581 1.00 31.32 H new ATOM 0 HB2 ARG A 12 -5.399 -11.644 -7.516 1.00 31.24 H new ATOM 0 HB3 ARG A 12 -6.291 -12.376 -6.197 1.00 31.24 H new ATOM 0 HG2 ARG A 12 -8.255 -10.927 -6.713 1.00 21.13 H new ATOM 0 HG3 ARG A 12 -7.364 -10.176 -8.022 1.00 21.13 H new ATOM 0 HD2 ARG A 12 -7.073 -12.443 -9.094 1.00 30.53 H new ATOM 0 HD3 ARG A 12 -8.020 -13.158 -7.805 1.00 30.53 H new ATOM 0 HE ARG A 12 -9.860 -11.499 -8.574 1.00 50.05 H new ATOM 0 HH11 ARG A 12 -7.557 -12.972 -10.860 1.00 32.04 H new ATOM 0 HH12 ARG A 12 -8.694 -12.845 -12.207 1.00 32.04 H new ATOM 0 HH21 ARG A 12 -11.233 -11.327 -10.289 1.00 23.24 H new ATOM 0 HH22 ARG A 12 -10.761 -11.919 -11.885 1.00 23.24 H new ATOM 182 N GLU A 13 -3.919 -11.491 -4.508 1.00 61.55 N ATOM 183 CA GLU A 13 -3.353 -12.089 -3.301 1.00 21.23 C ATOM 184 C GLU A 13 -3.317 -11.075 -2.156 1.00 73.14 C ATOM 185 O GLU A 13 -3.729 -11.381 -1.040 1.00 31.04 O ATOM 186 CB GLU A 13 -1.954 -12.684 -3.557 1.00 74.45 C ATOM 187 CG GLU A 13 -1.946 -14.178 -3.911 1.00 34.11 C ATOM 188 CD GLU A 13 -2.291 -15.086 -2.723 1.00 3.15 C ATOM 189 OE1 GLU A 13 -3.392 -14.958 -2.143 1.00 43.32 O ATOM 190 OE2 GLU A 13 -1.477 -15.969 -2.379 1.00 21.14 O ATOM 0 H GLU A 13 -3.305 -11.530 -5.321 1.00 61.55 H new ATOM 0 HA GLU A 13 -4.005 -12.912 -3.009 1.00 21.23 H new ATOM 0 HB2 GLU A 13 -1.482 -12.130 -4.368 1.00 74.45 H new ATOM 0 HB3 GLU A 13 -1.342 -12.532 -2.668 1.00 74.45 H new ATOM 0 HG2 GLU A 13 -2.659 -14.357 -4.715 1.00 34.11 H new ATOM 0 HG3 GLU A 13 -0.961 -14.449 -4.292 1.00 34.11 H new ATOM 197 N MET A 14 -2.844 -9.857 -2.424 1.00 75.34 N ATOM 198 CA MET A 14 -2.717 -8.822 -1.422 1.00 24.32 C ATOM 199 C MET A 14 -4.094 -8.410 -0.886 1.00 14.43 C ATOM 200 O MET A 14 -4.291 -8.343 0.331 1.00 14.43 O ATOM 201 CB MET A 14 -1.927 -7.660 -2.044 1.00 74.04 C ATOM 202 CG MET A 14 -1.396 -6.750 -0.942 1.00 64.01 C ATOM 203 SD MET A 14 0.394 -6.449 -0.983 1.00 61.33 S ATOM 204 CE MET A 14 0.495 -5.076 -2.147 1.00 22.25 C ATOM 0 H MET A 14 -2.538 -9.568 -3.353 1.00 75.34 H new ATOM 0 HA MET A 14 -2.169 -9.182 -0.551 1.00 24.32 H new ATOM 0 HB2 MET A 14 -1.100 -8.047 -2.639 1.00 74.04 H new ATOM 0 HB3 MET A 14 -2.567 -7.093 -2.720 1.00 74.04 H new ATOM 0 HG2 MET A 14 -1.911 -5.791 -1.005 1.00 64.01 H new ATOM 0 HG3 MET A 14 -1.653 -7.187 0.023 1.00 64.01 H new ATOM 0 HE1 MET A 14 1.537 -4.782 -2.273 1.00 22.25 H new ATOM 0 HE2 MET A 14 0.086 -5.384 -3.109 1.00 22.25 H new ATOM 0 HE3 MET A 14 -0.077 -4.231 -1.763 1.00 22.25 H new ATOM 214 N LEU A 15 -5.049 -8.179 -1.795 1.00 63.33 N ATOM 215 CA LEU A 15 -6.437 -7.842 -1.493 1.00 14.35 C ATOM 216 C LEU A 15 -7.082 -8.930 -0.631 1.00 34.14 C ATOM 217 O LEU A 15 -7.767 -8.630 0.348 1.00 52.33 O ATOM 218 CB LEU A 15 -7.203 -7.685 -2.821 1.00 41.33 C ATOM 219 CG LEU A 15 -8.426 -6.762 -2.767 1.00 45.11 C ATOM 220 CD1 LEU A 15 -7.977 -5.307 -2.954 1.00 1.50 C ATOM 221 CD2 LEU A 15 -9.366 -7.110 -3.926 1.00 22.25 C ATOM 0 H LEU A 15 -4.865 -8.224 -2.797 1.00 63.33 H new ATOM 0 HA LEU A 15 -6.473 -6.909 -0.931 1.00 14.35 H new ATOM 0 HB2 LEU A 15 -6.515 -7.305 -3.576 1.00 41.33 H new ATOM 0 HB3 LEU A 15 -7.527 -8.671 -3.153 1.00 41.33 H new ATOM 0 HG LEU A 15 -8.927 -6.887 -1.807 1.00 45.11 H new ATOM 0 HD11 LEU A 15 -8.846 -4.650 -2.916 1.00 1.50 H new ATOM 0 HD12 LEU A 15 -7.282 -5.036 -2.159 1.00 1.50 H new ATOM 0 HD13 LEU A 15 -7.484 -5.200 -3.920 1.00 1.50 H new ATOM 0 HD21 LEU A 15 -10.239 -6.458 -3.895 1.00 22.25 H new ATOM 0 HD22 LEU A 15 -8.843 -6.972 -4.872 1.00 22.25 H new ATOM 0 HD23 LEU A 15 -9.685 -8.148 -3.836 1.00 22.25 H new ATOM 233 N ALA A 16 -6.880 -10.187 -1.023 1.00 31.44 N ATOM 234 CA ALA A 16 -7.486 -11.359 -0.427 1.00 62.30 C ATOM 235 C ALA A 16 -6.913 -11.617 0.965 1.00 13.20 C ATOM 236 O ALA A 16 -7.668 -11.919 1.886 1.00 73.22 O ATOM 237 CB ALA A 16 -7.250 -12.558 -1.349 1.00 40.13 C ATOM 0 H ALA A 16 -6.261 -10.418 -1.800 1.00 31.44 H new ATOM 0 HA ALA A 16 -8.558 -11.198 -0.311 1.00 62.30 H new ATOM 0 HB1 ALA A 16 -7.702 -13.448 -0.911 1.00 40.13 H new ATOM 0 HB2 ALA A 16 -7.701 -12.363 -2.322 1.00 40.13 H new ATOM 0 HB3 ALA A 16 -6.179 -12.718 -1.471 1.00 40.13 H new ATOM 243 N HIS A 17 -5.601 -11.467 1.163 1.00 65.32 N ATOM 244 CA HIS A 17 -5.003 -11.655 2.477 1.00 21.01 C ATOM 245 C HIS A 17 -5.560 -10.632 3.472 1.00 21.13 C ATOM 246 O HIS A 17 -5.733 -10.938 4.651 1.00 71.50 O ATOM 247 CB HIS A 17 -3.471 -11.563 2.398 1.00 52.03 C ATOM 248 CG HIS A 17 -2.798 -11.896 3.712 1.00 55.22 C ATOM 249 ND1 HIS A 17 -3.205 -12.865 4.601 1.00 74.52 N ATOM 250 CD2 HIS A 17 -1.744 -11.236 4.287 1.00 34.43 C ATOM 251 CE1 HIS A 17 -2.440 -12.779 5.694 1.00 70.14 C ATOM 252 NE2 HIS A 17 -1.521 -11.804 5.554 1.00 53.32 N ATOM 0 H HIS A 17 -4.938 -11.217 0.429 1.00 65.32 H new ATOM 0 HA HIS A 17 -5.262 -12.653 2.832 1.00 21.01 H new ATOM 0 HB2 HIS A 17 -3.109 -12.243 1.627 1.00 52.03 H new ATOM 0 HB3 HIS A 17 -3.187 -10.556 2.094 1.00 52.03 H new ATOM 0 HD2 HIS A 17 -1.184 -10.424 3.846 1.00 34.43 H new ATOM 0 HE1 HIS A 17 -2.544 -13.405 6.568 1.00 70.14 H new ATOM 0 HE2 HIS A 17 -0.807 -11.533 6.230 1.00 53.32 H new ATOM 260 N ALA A 18 -5.815 -9.398 3.036 1.00 3.12 N ATOM 261 CA ALA A 18 -6.455 -8.375 3.857 1.00 74.53 C ATOM 262 C ALA A 18 -7.932 -8.712 4.082 1.00 62.55 C ATOM 263 O ALA A 18 -8.390 -8.511 5.199 1.00 70.24 O ATOM 264 CB ALA A 18 -6.298 -7.004 3.193 1.00 70.21 C ATOM 0 H ALA A 18 -5.581 -9.080 2.096 1.00 3.12 H new ATOM 0 HA ALA A 18 -5.969 -8.345 4.832 1.00 74.53 H new ATOM 0 HB1 ALA A 18 -6.777 -6.244 3.810 1.00 70.21 H new ATOM 0 HB2 ALA A 18 -5.239 -6.770 3.087 1.00 70.21 H new ATOM 0 HB3 ALA A 18 -6.766 -7.021 2.209 1.00 70.21 H new ATOM 270 N GLU A 19 -8.671 -9.253 3.103 1.00 24.35 N ATOM 271 CA GLU A 19 -10.056 -9.690 3.312 1.00 2.22 C ATOM 272 C GLU A 19 -10.142 -10.779 4.377 1.00 41.44 C ATOM 273 O GLU A 19 -11.040 -10.767 5.219 1.00 55.14 O ATOM 274 CB GLU A 19 -10.665 -10.245 2.014 1.00 62.41 C ATOM 275 CG GLU A 19 -11.329 -9.169 1.162 1.00 3.02 C ATOM 276 CD GLU A 19 -12.640 -9.657 0.548 1.00 15.05 C ATOM 277 OE1 GLU A 19 -12.599 -10.461 -0.414 1.00 23.40 O ATOM 278 OE2 GLU A 19 -13.731 -9.260 1.036 1.00 0.23 O ATOM 0 H GLU A 19 -8.328 -9.398 2.153 1.00 24.35 H new ATOM 0 HA GLU A 19 -10.612 -8.811 3.638 1.00 2.22 H new ATOM 0 HB2 GLU A 19 -9.883 -10.732 1.431 1.00 62.41 H new ATOM 0 HB3 GLU A 19 -11.401 -11.010 2.262 1.00 62.41 H new ATOM 0 HG2 GLU A 19 -11.521 -8.288 1.774 1.00 3.02 H new ATOM 0 HG3 GLU A 19 -10.648 -8.863 0.368 1.00 3.02 H new ATOM 285 N GLU A 20 -9.222 -11.738 4.328 1.00 65.51 N ATOM 286 CA GLU A 20 -9.173 -12.857 5.257 1.00 65.14 C ATOM 287 C GLU A 20 -8.901 -12.379 6.690 1.00 11.33 C ATOM 288 O GLU A 20 -9.204 -13.075 7.660 1.00 73.51 O ATOM 289 CB GLU A 20 -8.055 -13.795 4.780 1.00 2.41 C ATOM 290 CG GLU A 20 -8.014 -15.128 5.538 1.00 2.04 C ATOM 291 CD GLU A 20 -9.086 -16.129 5.115 1.00 30.44 C ATOM 292 OE1 GLU A 20 -9.715 -15.986 4.038 1.00 45.22 O ATOM 293 OE2 GLU A 20 -9.186 -17.162 5.811 1.00 43.03 O ATOM 0 H GLU A 20 -8.479 -11.758 3.630 1.00 65.51 H new ATOM 0 HA GLU A 20 -10.133 -13.374 5.274 1.00 65.14 H new ATOM 0 HB2 GLU A 20 -8.187 -13.994 3.716 1.00 2.41 H new ATOM 0 HB3 GLU A 20 -7.095 -13.291 4.893 1.00 2.41 H new ATOM 0 HG2 GLU A 20 -7.034 -15.583 5.396 1.00 2.04 H new ATOM 0 HG3 GLU A 20 -8.121 -14.929 6.604 1.00 2.04 H new ATOM 300 N THR A 21 -8.288 -11.208 6.837 1.00 22.24 N ATOM 301 CA THR A 21 -7.673 -10.742 8.063 1.00 71.22 C ATOM 302 C THR A 21 -8.075 -9.287 8.307 1.00 72.25 C ATOM 303 O THR A 21 -9.131 -8.839 7.862 1.00 34.31 O ATOM 304 CB THR A 21 -6.161 -11.025 8.063 1.00 3.33 C ATOM 305 OG1 THR A 21 -5.468 -10.228 7.142 1.00 72.45 O ATOM 306 CG2 THR A 21 -5.783 -12.464 7.724 1.00 74.31 C ATOM 0 H THR A 21 -8.206 -10.537 6.073 1.00 22.24 H new ATOM 0 HA THR A 21 -8.043 -11.300 8.923 1.00 71.22 H new ATOM 0 HB THR A 21 -5.879 -10.802 9.092 1.00 3.33 H new ATOM 0 HG1 THR A 21 -5.835 -10.371 6.245 1.00 72.45 H new ATOM 0 HG21 THR A 21 -4.698 -12.571 7.748 1.00 74.31 H new ATOM 0 HG22 THR A 21 -6.230 -13.139 8.454 1.00 74.31 H new ATOM 0 HG23 THR A 21 -6.150 -12.712 6.728 1.00 74.31 H new ATOM 314 N ARG A 22 -7.340 -8.603 9.180 1.00 64.41 N ATOM 315 CA ARG A 22 -7.585 -7.245 9.624 1.00 43.21 C ATOM 316 C ARG A 22 -6.238 -6.545 9.640 1.00 63.34 C ATOM 317 O ARG A 22 -5.631 -6.329 10.688 1.00 70.21 O ATOM 318 CB ARG A 22 -8.299 -7.197 10.984 1.00 62.41 C ATOM 319 CG ARG A 22 -9.672 -7.876 11.008 1.00 24.30 C ATOM 320 CD ARG A 22 -9.609 -9.411 11.006 1.00 42.11 C ATOM 321 NE ARG A 22 -10.347 -9.996 12.132 1.00 33.10 N ATOM 322 CZ ARG A 22 -11.676 -9.969 12.288 1.00 53.33 C ATOM 323 NH1 ARG A 22 -12.478 -9.590 11.293 1.00 24.43 N ATOM 324 NH2 ARG A 22 -12.195 -10.323 13.454 1.00 42.44 N ATOM 0 H ARG A 22 -6.513 -9.009 9.617 1.00 64.41 H new ATOM 0 HA ARG A 22 -8.267 -6.733 8.945 1.00 43.21 H new ATOM 0 HB2 ARG A 22 -7.661 -7.670 11.731 1.00 62.41 H new ATOM 0 HB3 ARG A 22 -8.418 -6.155 11.280 1.00 62.41 H new ATOM 0 HG2 ARG A 22 -10.214 -7.546 11.894 1.00 24.30 H new ATOM 0 HG3 ARG A 22 -10.245 -7.545 10.142 1.00 24.30 H new ATOM 0 HD2 ARG A 22 -10.019 -9.789 10.069 1.00 42.11 H new ATOM 0 HD3 ARG A 22 -8.568 -9.731 11.050 1.00 42.11 H new ATOM 0 HE ARG A 22 -9.801 -10.462 12.856 1.00 33.10 H new ATOM 0 HH11 ARG A 22 -12.081 -9.314 10.395 1.00 24.43 H new ATOM 0 HH12 ARG A 22 -13.489 -9.576 11.430 1.00 24.43 H new ATOM 0 HH21 ARG A 22 -11.584 -10.611 14.218 1.00 42.44 H new ATOM 0 HH22 ARG A 22 -13.206 -10.307 13.588 1.00 42.44 H new ATOM 338 N LYS A 23 -5.703 -6.336 8.444 1.00 45.21 N ATOM 339 CA LYS A 23 -4.536 -5.482 8.201 1.00 14.31 C ATOM 340 C LYS A 23 -4.975 -4.303 7.359 1.00 53.22 C ATOM 341 O LYS A 23 -5.753 -4.495 6.421 1.00 23.23 O ATOM 342 CB LYS A 23 -3.419 -6.225 7.456 1.00 41.44 C ATOM 343 CG LYS A 23 -2.623 -7.176 8.355 1.00 63.02 C ATOM 344 CD LYS A 23 -3.262 -8.551 8.445 1.00 15.14 C ATOM 345 CE LYS A 23 -2.328 -9.590 9.050 1.00 63.32 C ATOM 346 NZ LYS A 23 -2.995 -10.899 9.083 1.00 72.44 N ATOM 0 H LYS A 23 -6.073 -6.762 7.594 1.00 45.21 H new ATOM 0 HA LYS A 23 -4.142 -5.165 9.166 1.00 14.31 H new ATOM 0 HB2 LYS A 23 -3.855 -6.792 6.634 1.00 41.44 H new ATOM 0 HB3 LYS A 23 -2.738 -5.497 7.015 1.00 41.44 H new ATOM 0 HG2 LYS A 23 -1.608 -7.274 7.969 1.00 63.02 H new ATOM 0 HG3 LYS A 23 -2.544 -6.748 9.354 1.00 63.02 H new ATOM 0 HD2 LYS A 23 -4.169 -8.488 9.047 1.00 15.14 H new ATOM 0 HD3 LYS A 23 -3.563 -8.874 7.448 1.00 15.14 H new ATOM 0 HE2 LYS A 23 -1.411 -9.653 8.464 1.00 63.32 H new ATOM 0 HE3 LYS A 23 -2.042 -9.292 10.059 1.00 63.32 H new ATOM 0 HZ1 LYS A 23 -2.347 -11.609 9.481 1.00 72.44 H new ATOM 0 HZ2 LYS A 23 -3.849 -10.839 9.674 1.00 72.44 H new ATOM 0 HZ3 LYS A 23 -3.262 -11.177 8.117 1.00 72.44 H new ATOM 360 N LEU A 24 -4.461 -3.105 7.644 1.00 11.42 N ATOM 361 CA LEU A 24 -4.730 -1.942 6.802 1.00 65.15 C ATOM 362 C LEU A 24 -4.188 -2.233 5.405 1.00 64.25 C ATOM 363 O LEU A 24 -3.098 -2.797 5.281 1.00 12.43 O ATOM 364 CB LEU A 24 -4.032 -0.688 7.348 1.00 52.24 C ATOM 365 CG LEU A 24 -4.554 0.605 6.676 1.00 10.31 C ATOM 366 CD1 LEU A 24 -5.717 1.181 7.475 1.00 64.44 C ATOM 367 CD2 LEU A 24 -3.488 1.689 6.555 1.00 21.13 C ATOM 0 H LEU A 24 -3.860 -2.917 8.447 1.00 11.42 H new ATOM 0 HA LEU A 24 -5.804 -1.758 6.784 1.00 65.15 H new ATOM 0 HB2 LEU A 24 -4.189 -0.626 8.425 1.00 52.24 H new ATOM 0 HB3 LEU A 24 -2.957 -0.772 7.187 1.00 52.24 H new ATOM 0 HG LEU A 24 -4.866 0.316 5.672 1.00 10.31 H new ATOM 0 HD11 LEU A 24 -6.075 2.090 6.992 1.00 64.44 H new ATOM 0 HD12 LEU A 24 -6.525 0.451 7.519 1.00 64.44 H new ATOM 0 HD13 LEU A 24 -5.384 1.414 8.486 1.00 64.44 H new ATOM 0 HD21 LEU A 24 -3.917 2.569 6.076 1.00 21.13 H new ATOM 0 HD22 LEU A 24 -3.126 1.956 7.548 1.00 21.13 H new ATOM 0 HD23 LEU A 24 -2.658 1.317 5.954 1.00 21.13 H new ATOM 379 N MET A 25 -4.889 -1.775 4.371 1.00 55.45 N ATOM 380 CA MET A 25 -4.403 -1.826 3.002 1.00 63.42 C ATOM 381 C MET A 25 -4.460 -0.400 2.432 1.00 74.24 C ATOM 382 O MET A 25 -5.462 -0.014 1.831 1.00 64.22 O ATOM 383 CB MET A 25 -5.151 -2.917 2.226 1.00 12.42 C ATOM 384 CG MET A 25 -4.582 -3.108 0.818 1.00 22.43 C ATOM 385 SD MET A 25 -5.137 -4.644 0.029 1.00 53.14 S ATOM 386 CE MET A 25 -4.444 -4.435 -1.629 1.00 1.11 C ATOM 0 H MET A 25 -5.815 -1.357 4.464 1.00 55.45 H new ATOM 0 HA MET A 25 -3.360 -2.132 2.923 1.00 63.42 H new ATOM 0 HB2 MET A 25 -5.090 -3.858 2.773 1.00 12.42 H new ATOM 0 HB3 MET A 25 -6.207 -2.655 2.158 1.00 12.42 H new ATOM 0 HG2 MET A 25 -4.874 -2.261 0.197 1.00 22.43 H new ATOM 0 HG3 MET A 25 -3.493 -3.106 0.869 1.00 22.43 H new ATOM 0 HE1 MET A 25 -4.346 -5.409 -2.108 1.00 1.11 H new ATOM 0 HE2 MET A 25 -5.105 -3.804 -2.223 1.00 1.11 H new ATOM 0 HE3 MET A 25 -3.463 -3.966 -1.557 1.00 1.11 H new ATOM 396 N PRO A 26 -3.440 0.433 2.700 1.00 14.34 N ATOM 397 CA PRO A 26 -3.352 1.792 2.171 1.00 34.42 C ATOM 398 C PRO A 26 -3.069 1.738 0.660 1.00 24.12 C ATOM 399 O PRO A 26 -2.227 0.941 0.243 1.00 33.12 O ATOM 400 CB PRO A 26 -2.216 2.438 2.968 1.00 32.41 C ATOM 401 CG PRO A 26 -1.320 1.291 3.405 1.00 32.44 C ATOM 402 CD PRO A 26 -2.267 0.101 3.498 1.00 14.10 C ATOM 0 HA PRO A 26 -4.271 2.369 2.277 1.00 34.42 H new ATOM 0 HB2 PRO A 26 -1.666 3.154 2.357 1.00 32.41 H new ATOM 0 HB3 PRO A 26 -2.602 2.984 3.829 1.00 32.41 H new ATOM 0 HG2 PRO A 26 -0.522 1.111 2.685 1.00 32.44 H new ATOM 0 HG3 PRO A 26 -0.844 1.499 4.363 1.00 32.44 H new ATOM 0 HD2 PRO A 26 -1.788 -0.804 3.124 1.00 14.10 H new ATOM 0 HD3 PRO A 26 -2.546 -0.091 4.534 1.00 14.10 H new ATOM 410 N ILE A 27 -3.741 2.556 -0.155 1.00 53.32 N ATOM 411 CA ILE A 27 -3.677 2.589 -1.624 1.00 11.12 C ATOM 412 C ILE A 27 -3.732 4.071 -2.041 1.00 1.52 C ATOM 413 O ILE A 27 -4.385 4.863 -1.367 1.00 12.12 O ATOM 414 CB ILE A 27 -4.875 1.769 -2.179 1.00 20.24 C ATOM 415 CG1 ILE A 27 -4.644 0.246 -2.013 1.00 15.42 C ATOM 416 CG2 ILE A 27 -5.191 2.059 -3.659 1.00 42.44 C ATOM 417 CD1 ILE A 27 -5.952 -0.538 -1.906 1.00 61.35 C ATOM 0 H ILE A 27 -4.384 3.257 0.213 1.00 53.32 H new ATOM 0 HA ILE A 27 -2.764 2.147 -2.023 1.00 11.12 H new ATOM 0 HB ILE A 27 -5.731 2.089 -1.585 1.00 20.24 H new ATOM 0 HG12 ILE A 27 -4.070 -0.126 -2.862 1.00 15.42 H new ATOM 0 HG13 ILE A 27 -4.044 0.068 -1.121 1.00 15.42 H new ATOM 0 HG21 ILE A 27 -6.038 1.451 -3.976 1.00 42.44 H new ATOM 0 HG22 ILE A 27 -5.437 3.114 -3.779 1.00 42.44 H new ATOM 0 HG23 ILE A 27 -4.322 1.818 -4.271 1.00 42.44 H new ATOM 0 HD11 ILE A 27 -5.732 -1.599 -1.791 1.00 61.35 H new ATOM 0 HD12 ILE A 27 -6.516 -0.189 -1.041 1.00 61.35 H new ATOM 0 HD13 ILE A 27 -6.542 -0.386 -2.809 1.00 61.35 H new ATOM 429 N CYS A 28 -3.093 4.486 -3.137 1.00 65.24 N ATOM 430 CA CYS A 28 -3.153 5.873 -3.592 1.00 15.44 C ATOM 431 C CYS A 28 -4.367 6.121 -4.496 1.00 30.20 C ATOM 432 O CYS A 28 -4.878 5.209 -5.140 1.00 41.15 O ATOM 433 CB CYS A 28 -1.825 6.247 -4.264 1.00 41.21 C ATOM 434 SG CYS A 28 -1.251 5.039 -5.483 1.00 31.22 S ATOM 0 H CYS A 28 -2.526 3.877 -3.727 1.00 65.24 H new ATOM 0 HA CYS A 28 -3.291 6.527 -2.731 1.00 15.44 H new ATOM 0 HB2 CYS A 28 -1.937 7.215 -4.752 1.00 41.21 H new ATOM 0 HB3 CYS A 28 -1.061 6.364 -3.495 1.00 41.21 H new ATOM 0 HG CYS A 28 0.037 4.898 -5.381 1.00 31.22 H new ATOM 440 N MET A 29 -4.800 7.380 -4.586 1.00 1.50 N ATOM 441 CA MET A 29 -5.833 7.850 -5.502 1.00 40.54 C ATOM 442 C MET A 29 -5.240 8.228 -6.869 1.00 71.22 C ATOM 443 O MET A 29 -5.976 8.506 -7.814 1.00 14.15 O ATOM 444 CB MET A 29 -6.514 9.069 -4.864 1.00 14.43 C ATOM 445 CG MET A 29 -7.929 9.272 -5.395 1.00 11.45 C ATOM 446 SD MET A 29 -8.824 10.642 -4.620 1.00 1.35 S ATOM 447 CE MET A 29 -8.948 10.039 -2.917 1.00 22.15 C ATOM 0 H MET A 29 -4.425 8.126 -4.000 1.00 1.50 H new ATOM 0 HA MET A 29 -6.556 7.052 -5.674 1.00 40.54 H new ATOM 0 HB2 MET A 29 -6.547 8.942 -3.782 1.00 14.43 H new ATOM 0 HB3 MET A 29 -5.920 9.962 -5.062 1.00 14.43 H new ATOM 0 HG2 MET A 29 -7.880 9.447 -6.470 1.00 11.45 H new ATOM 0 HG3 MET A 29 -8.496 8.353 -5.247 1.00 11.45 H new ATOM 0 HE1 MET A 29 -9.624 10.681 -2.352 1.00 22.15 H new ATOM 0 HE2 MET A 29 -9.333 9.019 -2.919 1.00 22.15 H new ATOM 0 HE3 MET A 29 -7.962 10.053 -2.453 1.00 22.15 H new ATOM 457 N ASP A 30 -3.911 8.312 -6.984 1.00 73.11 N ATOM 458 CA ASP A 30 -3.239 8.548 -8.261 1.00 23.11 C ATOM 459 C ASP A 30 -3.472 7.386 -9.205 1.00 62.01 C ATOM 460 O ASP A 30 -3.886 7.613 -10.345 1.00 4.24 O ATOM 461 CB ASP A 30 -1.743 8.808 -8.069 1.00 32.05 C ATOM 462 CG ASP A 30 -0.986 8.598 -9.384 1.00 31.32 C ATOM 463 OD1 ASP A 30 -1.067 9.479 -10.274 1.00 23.21 O ATOM 464 OD2 ASP A 30 -0.388 7.518 -9.552 1.00 42.21 O ATOM 0 H ASP A 30 -3.273 8.218 -6.194 1.00 73.11 H new ATOM 0 HA ASP A 30 -3.670 9.445 -8.706 1.00 23.11 H new ATOM 0 HB2 ASP A 30 -1.588 9.826 -7.713 1.00 32.05 H new ATOM 0 HB3 ASP A 30 -1.347 8.139 -7.305 1.00 32.05 H new ATOM 469 N VAL A 31 -3.217 6.163 -8.751 1.00 20.40 N ATOM 470 CA VAL A 31 -3.273 5.013 -9.611 1.00 61.35 C ATOM 471 C VAL A 31 -4.706 4.800 -10.096 1.00 20.00 C ATOM 472 O VAL A 31 -5.682 5.114 -9.410 1.00 31.25 O ATOM 473 CB VAL A 31 -2.672 3.784 -8.887 1.00 24.33 C ATOM 474 CG1 VAL A 31 -3.373 3.461 -7.559 1.00 14.34 C ATOM 475 CG2 VAL A 31 -2.620 2.579 -9.824 1.00 22.44 C ATOM 0 H VAL A 31 -2.969 5.955 -7.784 1.00 20.40 H new ATOM 0 HA VAL A 31 -2.665 5.171 -10.502 1.00 61.35 H new ATOM 0 HB VAL A 31 -1.649 4.043 -8.614 1.00 24.33 H new ATOM 0 HG11 VAL A 31 -2.904 2.589 -7.103 1.00 14.34 H new ATOM 0 HG12 VAL A 31 -3.287 4.314 -6.886 1.00 14.34 H new ATOM 0 HG13 VAL A 31 -4.426 3.250 -7.745 1.00 14.34 H new ATOM 0 HG21 VAL A 31 -2.194 1.726 -9.296 1.00 22.44 H new ATOM 0 HG22 VAL A 31 -3.628 2.333 -10.157 1.00 22.44 H new ATOM 0 HG23 VAL A 31 -2.000 2.817 -10.688 1.00 22.44 H new ATOM 485 N ARG A 32 -4.839 4.244 -11.294 1.00 42.03 N ATOM 486 CA ARG A 32 -6.072 3.788 -11.883 1.00 40.23 C ATOM 487 C ARG A 32 -6.041 2.265 -11.962 1.00 4.43 C ATOM 488 O ARG A 32 -7.020 1.640 -11.583 1.00 33.30 O ATOM 489 CB ARG A 32 -6.185 4.418 -13.277 1.00 31.14 C ATOM 490 CG ARG A 32 -6.673 5.875 -13.326 1.00 50.14 C ATOM 491 CD ARG A 32 -5.685 6.867 -12.708 1.00 62.31 C ATOM 492 NE ARG A 32 -6.013 8.257 -13.056 1.00 2.44 N ATOM 493 CZ ARG A 32 -6.333 9.263 -12.231 1.00 31.52 C ATOM 494 NH1 ARG A 32 -6.240 9.117 -10.910 1.00 63.34 N ATOM 495 NH2 ARG A 32 -6.744 10.411 -12.750 1.00 74.50 N ATOM 0 H ARG A 32 -4.038 4.095 -11.908 1.00 42.03 H new ATOM 0 HA ARG A 32 -6.937 4.080 -11.288 1.00 40.23 H new ATOM 0 HB2 ARG A 32 -5.207 4.368 -13.756 1.00 31.14 H new ATOM 0 HB3 ARG A 32 -6.864 3.809 -13.874 1.00 31.14 H new ATOM 0 HG2 ARG A 32 -6.856 6.154 -14.363 1.00 50.14 H new ATOM 0 HG3 ARG A 32 -7.626 5.949 -12.803 1.00 50.14 H new ATOM 0 HD2 ARG A 32 -5.688 6.754 -11.624 1.00 62.31 H new ATOM 0 HD3 ARG A 32 -4.676 6.636 -13.050 1.00 62.31 H new ATOM 0 HE ARG A 32 -5.995 8.484 -14.050 1.00 2.44 H new ATOM 0 HH11 ARG A 32 -5.922 8.232 -10.516 1.00 63.34 H new ATOM 0 HH12 ARG A 32 -6.487 9.891 -10.293 1.00 63.34 H new ATOM 0 HH21 ARG A 32 -6.812 10.518 -13.762 1.00 74.50 H new ATOM 0 HH22 ARG A 32 -6.992 11.188 -12.137 1.00 74.50 H new ATOM 509 N ALA A 33 -4.929 1.651 -12.380 1.00 14.40 N ATOM 510 CA ALA A 33 -4.831 0.208 -12.580 1.00 54.30 C ATOM 511 C ALA A 33 -5.122 -0.582 -11.296 1.00 52.15 C ATOM 512 O ALA A 33 -5.860 -1.569 -11.327 1.00 62.14 O ATOM 513 CB ALA A 33 -3.442 -0.137 -13.130 1.00 52.33 C ATOM 0 H ALA A 33 -4.065 2.150 -12.590 1.00 14.40 H new ATOM 0 HA ALA A 33 -5.594 -0.084 -13.302 1.00 54.30 H new ATOM 0 HB1 ALA A 33 -3.367 -1.214 -13.280 1.00 52.33 H new ATOM 0 HB2 ALA A 33 -3.290 0.373 -14.081 1.00 52.33 H new ATOM 0 HB3 ALA A 33 -2.680 0.184 -12.420 1.00 52.33 H new ATOM 519 N ILE A 34 -4.544 -0.164 -10.167 1.00 11.20 N ATOM 520 CA ILE A 34 -4.802 -0.736 -8.845 1.00 33.22 C ATOM 521 C ILE A 34 -6.240 -0.410 -8.439 1.00 42.42 C ATOM 522 O ILE A 34 -7.031 -1.315 -8.172 1.00 3.03 O ATOM 523 CB ILE A 34 -3.723 -0.238 -7.871 1.00 34.32 C ATOM 524 CG1 ILE A 34 -2.429 -0.991 -8.264 1.00 21.10 C ATOM 525 CG2 ILE A 34 -4.111 -0.349 -6.386 1.00 54.42 C ATOM 526 CD1 ILE A 34 -1.311 -0.879 -7.249 1.00 0.52 C ATOM 0 H ILE A 34 -3.868 0.600 -10.147 1.00 11.20 H new ATOM 0 HA ILE A 34 -4.730 -1.824 -8.840 1.00 33.22 H new ATOM 0 HB ILE A 34 -3.579 0.838 -7.965 1.00 34.32 H new ATOM 0 HG12 ILE A 34 -2.666 -2.045 -8.411 1.00 21.10 H new ATOM 0 HG13 ILE A 34 -2.075 -0.607 -9.221 1.00 21.10 H new ATOM 0 HG21 ILE A 34 -3.294 0.024 -5.768 1.00 54.42 H new ATOM 0 HG22 ILE A 34 -5.007 0.243 -6.199 1.00 54.42 H new ATOM 0 HG23 ILE A 34 -4.307 -1.392 -6.138 1.00 54.42 H new ATOM 0 HD11 ILE A 34 -0.442 -1.435 -7.602 1.00 0.52 H new ATOM 0 HD12 ILE A 34 -1.042 0.169 -7.118 1.00 0.52 H new ATOM 0 HD13 ILE A 34 -1.642 -1.291 -6.296 1.00 0.52 H new ATOM 538 N MET A 35 -6.575 0.884 -8.436 1.00 13.12 N ATOM 539 CA MET A 35 -7.863 1.435 -8.027 1.00 31.01 C ATOM 540 C MET A 35 -9.039 0.720 -8.709 1.00 11.04 C ATOM 541 O MET A 35 -10.061 0.455 -8.071 1.00 51.55 O ATOM 542 CB MET A 35 -7.829 2.939 -8.340 1.00 14.35 C ATOM 543 CG MET A 35 -9.110 3.685 -7.957 1.00 71.45 C ATOM 544 SD MET A 35 -8.888 5.159 -6.924 1.00 72.14 S ATOM 545 CE MET A 35 -8.163 4.433 -5.437 1.00 30.54 C ATOM 0 H MET A 35 -5.921 1.608 -8.734 1.00 13.12 H new ATOM 0 HA MET A 35 -8.023 1.279 -6.960 1.00 31.01 H new ATOM 0 HB2 MET A 35 -6.987 3.390 -7.814 1.00 14.35 H new ATOM 0 HB3 MET A 35 -7.648 3.074 -9.406 1.00 14.35 H new ATOM 0 HG2 MET A 35 -9.623 3.980 -8.872 1.00 71.45 H new ATOM 0 HG3 MET A 35 -9.768 2.992 -7.432 1.00 71.45 H new ATOM 0 HE1 MET A 35 -8.182 5.164 -4.629 1.00 30.54 H new ATOM 0 HE2 MET A 35 -8.737 3.554 -5.144 1.00 30.54 H new ATOM 0 HE3 MET A 35 -7.132 4.143 -5.639 1.00 30.54 H new ATOM 555 N ALA A 36 -8.890 0.362 -9.984 1.00 24.31 N ATOM 556 CA ALA A 36 -9.878 -0.366 -10.752 1.00 54.52 C ATOM 557 C ALA A 36 -10.204 -1.701 -10.088 1.00 55.43 C ATOM 558 O ALA A 36 -11.380 -1.995 -9.897 1.00 70.03 O ATOM 559 CB ALA A 36 -9.372 -0.573 -12.181 1.00 33.20 C ATOM 0 H ALA A 36 -8.050 0.581 -10.520 1.00 24.31 H new ATOM 0 HA ALA A 36 -10.798 0.218 -10.788 1.00 54.52 H new ATOM 0 HB1 ALA A 36 -10.119 -1.121 -12.756 1.00 33.20 H new ATOM 0 HB2 ALA A 36 -9.194 0.396 -12.648 1.00 33.20 H new ATOM 0 HB3 ALA A 36 -8.442 -1.141 -12.159 1.00 33.20 H new ATOM 565 N THR A 37 -9.218 -2.519 -9.706 1.00 61.10 N ATOM 566 CA THR A 37 -9.508 -3.816 -9.095 1.00 1.14 C ATOM 567 C THR A 37 -10.365 -3.652 -7.846 1.00 15.03 C ATOM 568 O THR A 37 -11.268 -4.463 -7.641 1.00 14.32 O ATOM 569 CB THR A 37 -8.218 -4.610 -8.826 1.00 20.50 C ATOM 570 OG1 THR A 37 -7.650 -4.957 -10.079 1.00 14.22 O ATOM 571 CG2 THR A 37 -8.449 -5.897 -8.013 1.00 74.22 C ATOM 0 H THR A 37 -8.225 -2.308 -9.808 1.00 61.10 H new ATOM 0 HA THR A 37 -10.091 -4.404 -9.804 1.00 1.14 H new ATOM 0 HB THR A 37 -7.559 -3.977 -8.232 1.00 20.50 H new ATOM 0 HG1 THR A 37 -6.824 -5.464 -9.935 1.00 14.22 H new ATOM 0 HG21 THR A 37 -7.498 -6.407 -7.860 1.00 74.22 H new ATOM 0 HG22 THR A 37 -8.884 -5.644 -7.046 1.00 74.22 H new ATOM 0 HG23 THR A 37 -9.129 -6.553 -8.556 1.00 74.22 H new ATOM 579 N ILE A 38 -10.143 -2.596 -7.065 1.00 1.22 N ATOM 580 CA ILE A 38 -10.987 -2.280 -5.930 1.00 53.04 C ATOM 581 C ILE A 38 -12.403 -1.984 -6.434 1.00 30.42 C ATOM 582 O ILE A 38 -13.310 -2.716 -6.058 1.00 11.22 O ATOM 583 CB ILE A 38 -10.338 -1.181 -5.061 1.00 23.31 C ATOM 584 CG1 ILE A 38 -9.137 -1.782 -4.290 1.00 51.21 C ATOM 585 CG2 ILE A 38 -11.345 -0.581 -4.065 1.00 4.04 C ATOM 586 CD1 ILE A 38 -7.803 -1.776 -5.049 1.00 33.41 C ATOM 0 H ILE A 38 -9.374 -1.941 -7.206 1.00 1.22 H new ATOM 0 HA ILE A 38 -11.084 -3.128 -5.252 1.00 53.04 H new ATOM 0 HB ILE A 38 -10.000 -0.380 -5.718 1.00 23.31 H new ATOM 0 HG12 ILE A 38 -9.010 -1.229 -3.360 1.00 51.21 H new ATOM 0 HG13 ILE A 38 -9.378 -2.810 -4.019 1.00 51.21 H new ATOM 0 HG21 ILE A 38 -10.854 0.189 -3.470 1.00 4.04 H new ATOM 0 HG22 ILE A 38 -12.179 -0.140 -4.612 1.00 4.04 H new ATOM 0 HG23 ILE A 38 -11.717 -1.366 -3.406 1.00 4.04 H new ATOM 0 HD11 ILE A 38 -7.027 -2.217 -4.424 1.00 33.41 H new ATOM 0 HD12 ILE A 38 -7.904 -2.356 -5.966 1.00 33.41 H new ATOM 0 HD13 ILE A 38 -7.530 -0.750 -5.297 1.00 33.41 H new ATOM 598 N GLN A 39 -12.612 -0.993 -7.306 1.00 12.13 N ATOM 599 CA GLN A 39 -13.957 -0.612 -7.760 1.00 75.01 C ATOM 600 C GLN A 39 -14.695 -1.753 -8.486 1.00 64.22 C ATOM 601 O GLN A 39 -15.927 -1.785 -8.549 1.00 42.04 O ATOM 602 CB GLN A 39 -13.872 0.619 -8.678 1.00 4.10 C ATOM 603 CG GLN A 39 -13.491 1.898 -7.914 1.00 43.23 C ATOM 604 CD GLN A 39 -13.532 3.143 -8.806 1.00 23.45 C ATOM 605 OE1 GLN A 39 -14.378 3.284 -9.684 1.00 72.22 O ATOM 606 NE2 GLN A 39 -12.639 4.091 -8.598 1.00 1.40 N ATOM 0 H GLN A 39 -11.862 -0.435 -7.715 1.00 12.13 H new ATOM 0 HA GLN A 39 -14.535 -0.377 -6.866 1.00 75.01 H new ATOM 0 HB2 GLN A 39 -13.136 0.434 -9.461 1.00 4.10 H new ATOM 0 HB3 GLN A 39 -14.832 0.767 -9.172 1.00 4.10 H new ATOM 0 HG2 GLN A 39 -14.172 2.033 -7.074 1.00 43.23 H new ATOM 0 HG3 GLN A 39 -12.490 1.785 -7.498 1.00 43.23 H new ATOM 0 HE21 GLN A 39 -11.935 3.977 -7.869 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -12.653 4.938 -9.166 1.00 1.40 H new ATOM 615 N ARG A 40 -13.966 -2.694 -9.083 1.00 3.43 N ATOM 616 CA ARG A 40 -14.526 -3.861 -9.743 1.00 11.14 C ATOM 617 C ARG A 40 -14.934 -4.898 -8.711 1.00 10.40 C ATOM 618 O ARG A 40 -16.068 -5.368 -8.746 1.00 22.42 O ATOM 619 CB ARG A 40 -13.502 -4.439 -10.725 1.00 33.51 C ATOM 620 CG ARG A 40 -13.577 -3.771 -12.096 1.00 10.43 C ATOM 621 CD ARG A 40 -13.144 -2.301 -12.187 1.00 31.23 C ATOM 622 NE ARG A 40 -13.597 -1.679 -13.431 1.00 32.44 N ATOM 623 CZ ARG A 40 -14.841 -1.318 -13.752 1.00 21.33 C ATOM 624 NH1 ARG A 40 -15.822 -1.346 -12.854 1.00 31.34 N ATOM 625 NH2 ARG A 40 -15.066 -0.962 -15.005 1.00 13.40 N ATOM 0 H ARG A 40 -12.947 -2.661 -9.119 1.00 3.43 H new ATOM 0 HA ARG A 40 -15.416 -3.570 -10.301 1.00 11.14 H new ATOM 0 HB2 ARG A 40 -12.499 -4.315 -10.317 1.00 33.51 H new ATOM 0 HB3 ARG A 40 -13.671 -5.510 -10.835 1.00 33.51 H new ATOM 0 HG2 ARG A 40 -12.961 -4.347 -12.786 1.00 10.43 H new ATOM 0 HG3 ARG A 40 -14.605 -3.842 -12.450 1.00 10.43 H new ATOM 0 HD2 ARG A 40 -13.547 -1.750 -11.337 1.00 31.23 H new ATOM 0 HD3 ARG A 40 -12.058 -2.237 -12.123 1.00 31.23 H new ATOM 0 HE ARG A 40 -12.880 -1.501 -14.134 1.00 32.44 H new ATOM 0 HH11 ARG A 40 -15.630 -1.648 -11.899 1.00 31.34 H new ATOM 0 HH12 ARG A 40 -16.766 -1.066 -13.121 1.00 31.34 H new ATOM 0 HH21 ARG A 40 -14.303 -0.971 -15.682 1.00 13.40 H new ATOM 0 HH22 ARG A 40 -16.002 -0.679 -15.294 1.00 13.40 H new ATOM 639 N LYS A 41 -14.011 -5.288 -7.835 1.00 42.51 N ATOM 640 CA LYS A 41 -14.263 -6.306 -6.816 1.00 54.33 C ATOM 641 C LYS A 41 -15.354 -5.823 -5.863 1.00 2.43 C ATOM 642 O LYS A 41 -16.359 -6.504 -5.656 1.00 74.54 O ATOM 643 CB LYS A 41 -12.950 -6.671 -6.098 1.00 51.31 C ATOM 644 CG LYS A 41 -12.991 -7.964 -5.268 1.00 12.01 C ATOM 645 CD LYS A 41 -13.790 -7.859 -3.963 1.00 52.53 C ATOM 646 CE LYS A 41 -13.206 -8.780 -2.884 1.00 12.10 C ATOM 647 NZ LYS A 41 -13.623 -10.194 -2.991 1.00 22.20 N ATOM 0 H LYS A 41 -13.065 -4.907 -7.811 1.00 42.51 H new ATOM 0 HA LYS A 41 -14.629 -7.222 -7.280 1.00 54.33 H new ATOM 0 HB2 LYS A 41 -12.161 -6.763 -6.844 1.00 51.31 H new ATOM 0 HB3 LYS A 41 -12.673 -5.846 -5.441 1.00 51.31 H new ATOM 0 HG2 LYS A 41 -13.420 -8.759 -5.878 1.00 12.01 H new ATOM 0 HG3 LYS A 41 -11.969 -8.260 -5.030 1.00 12.01 H new ATOM 0 HD2 LYS A 41 -13.781 -6.828 -3.609 1.00 52.53 H new ATOM 0 HD3 LYS A 41 -14.831 -8.124 -4.148 1.00 52.53 H new ATOM 0 HE2 LYS A 41 -12.118 -8.731 -2.933 1.00 12.10 H new ATOM 0 HE3 LYS A 41 -13.499 -8.402 -1.905 1.00 12.10 H new ATOM 0 HZ1 LYS A 41 -13.372 -10.697 -2.116 1.00 22.20 H new ATOM 0 HZ2 LYS A 41 -14.652 -10.243 -3.135 1.00 22.20 H new ATOM 0 HZ3 LYS A 41 -13.139 -10.639 -3.797 1.00 22.20 H new ATOM 661 N TYR A 42 -15.142 -4.653 -5.273 1.00 14.25 N ATOM 662 CA TYR A 42 -16.025 -4.004 -4.326 1.00 25.31 C ATOM 663 C TYR A 42 -16.943 -3.076 -5.110 1.00 73.45 C ATOM 664 O TYR A 42 -16.499 -2.055 -5.633 1.00 52.33 O ATOM 665 CB TYR A 42 -15.195 -3.234 -3.292 1.00 73.45 C ATOM 666 CG TYR A 42 -14.253 -4.121 -2.513 1.00 55.13 C ATOM 667 CD1 TYR A 42 -14.737 -4.992 -1.516 1.00 4.33 C ATOM 668 CD2 TYR A 42 -12.896 -4.139 -2.871 1.00 51.52 C ATOM 669 CE1 TYR A 42 -13.860 -5.905 -0.903 1.00 2.43 C ATOM 670 CE2 TYR A 42 -12.018 -5.037 -2.258 1.00 72.31 C ATOM 671 CZ TYR A 42 -12.500 -5.931 -1.281 1.00 52.41 C ATOM 672 OH TYR A 42 -11.685 -6.889 -0.783 1.00 1.51 O ATOM 0 H TYR A 42 -14.301 -4.105 -5.456 1.00 14.25 H new ATOM 0 HA TYR A 42 -16.627 -4.733 -3.783 1.00 25.31 H new ATOM 0 HB2 TYR A 42 -14.620 -2.460 -3.800 1.00 73.45 H new ATOM 0 HB3 TYR A 42 -15.867 -2.729 -2.598 1.00 73.45 H new ATOM 0 HD1 TYR A 42 -15.776 -4.958 -1.224 1.00 4.33 H new ATOM 0 HD2 TYR A 42 -12.529 -3.456 -3.623 1.00 51.52 H new ATOM 0 HE1 TYR A 42 -14.226 -6.583 -0.146 1.00 2.43 H new ATOM 0 HE2 TYR A 42 -10.973 -5.046 -2.532 1.00 72.31 H new ATOM 0 HH TYR A 42 -11.033 -7.151 -1.466 1.00 1.51 H new ATOM 682 N LYS A 43 -18.223 -3.431 -5.226 1.00 73.02 N ATOM 683 CA LYS A 43 -19.190 -2.602 -5.938 1.00 41.04 C ATOM 684 C LYS A 43 -19.396 -1.260 -5.242 1.00 2.10 C ATOM 685 O LYS A 43 -19.047 -0.224 -5.805 1.00 45.21 O ATOM 686 CB LYS A 43 -20.480 -3.382 -6.244 1.00 51.14 C ATOM 687 CG LYS A 43 -21.157 -4.042 -5.026 1.00 25.50 C ATOM 688 CD LYS A 43 -22.669 -3.839 -5.009 1.00 71.03 C ATOM 689 CE LYS A 43 -23.045 -2.370 -4.799 1.00 2.04 C ATOM 690 NZ LYS A 43 -24.489 -2.169 -5.015 1.00 2.42 N ATOM 0 H LYS A 43 -18.612 -4.289 -4.835 1.00 73.02 H new ATOM 0 HA LYS A 43 -18.782 -2.345 -6.916 1.00 41.04 H new ATOM 0 HB2 LYS A 43 -21.193 -2.703 -6.711 1.00 51.14 H new ATOM 0 HB3 LYS A 43 -20.251 -4.157 -6.976 1.00 51.14 H new ATOM 0 HG2 LYS A 43 -20.938 -5.110 -5.029 1.00 25.50 H new ATOM 0 HG3 LYS A 43 -20.729 -3.631 -4.111 1.00 25.50 H new ATOM 0 HD2 LYS A 43 -23.093 -4.192 -5.949 1.00 71.03 H new ATOM 0 HD3 LYS A 43 -23.108 -4.443 -4.215 1.00 71.03 H new ATOM 0 HE2 LYS A 43 -22.776 -2.061 -3.789 1.00 2.04 H new ATOM 0 HE3 LYS A 43 -22.478 -1.742 -5.486 1.00 2.04 H new ATOM 0 HZ1 LYS A 43 -24.726 -1.167 -4.868 1.00 2.42 H new ATOM 0 HZ2 LYS A 43 -24.736 -2.445 -5.987 1.00 2.42 H new ATOM 0 HZ3 LYS A 43 -25.025 -2.753 -4.342 1.00 2.42 H new ATOM 704 N GLY A 44 -19.957 -1.238 -4.036 1.00 21.12 N ATOM 705 CA GLY A 44 -20.481 -0.014 -3.461 1.00 13.32 C ATOM 706 C GLY A 44 -19.479 0.674 -2.554 1.00 73.21 C ATOM 707 O GLY A 44 -19.767 0.844 -1.370 1.00 64.41 O ATOM 0 H GLY A 44 -20.058 -2.060 -3.440 1.00 21.12 H new ATOM 0 HA2 GLY A 44 -20.769 0.667 -4.262 1.00 13.32 H new ATOM 0 HA3 GLY A 44 -21.385 -0.240 -2.895 1.00 13.32 H new ATOM 711 N ILE A 45 -18.340 1.096 -3.104 1.00 12.54 N ATOM 712 CA ILE A 45 -17.342 1.903 -2.402 1.00 54.35 C ATOM 713 C ILE A 45 -17.196 3.257 -3.097 1.00 63.24 C ATOM 714 O ILE A 45 -17.104 3.320 -4.324 1.00 63.52 O ATOM 715 CB ILE A 45 -16.019 1.123 -2.215 1.00 4.34 C ATOM 716 CG1 ILE A 45 -14.838 1.991 -1.718 1.00 4.13 C ATOM 717 CG2 ILE A 45 -15.625 0.260 -3.422 1.00 65.24 C ATOM 718 CD1 ILE A 45 -13.955 2.635 -2.792 1.00 3.34 C ATOM 0 H ILE A 45 -18.081 0.883 -4.067 1.00 12.54 H new ATOM 0 HA ILE A 45 -17.677 2.115 -1.387 1.00 54.35 H new ATOM 0 HB ILE A 45 -16.246 0.429 -1.406 1.00 4.34 H new ATOM 0 HG12 ILE A 45 -15.241 2.784 -1.088 1.00 4.13 H new ATOM 0 HG13 ILE A 45 -14.204 1.371 -1.084 1.00 4.13 H new ATOM 0 HG21 ILE A 45 -14.687 -0.254 -3.211 1.00 65.24 H new ATOM 0 HG22 ILE A 45 -16.406 -0.475 -3.614 1.00 65.24 H new ATOM 0 HG23 ILE A 45 -15.501 0.896 -4.299 1.00 65.24 H new ATOM 0 HD11 ILE A 45 -13.166 3.216 -2.314 1.00 3.34 H new ATOM 0 HD12 ILE A 45 -13.509 1.857 -3.411 1.00 3.34 H new ATOM 0 HD13 ILE A 45 -14.561 3.292 -3.416 1.00 3.34 H new ATOM 730 N LYS A 46 -17.170 4.323 -2.296 1.00 13.22 N ATOM 731 CA LYS A 46 -16.943 5.712 -2.685 1.00 72.54 C ATOM 732 C LYS A 46 -15.458 6.024 -2.505 1.00 14.14 C ATOM 733 O LYS A 46 -14.889 5.690 -1.462 1.00 61.20 O ATOM 734 CB LYS A 46 -17.878 6.572 -1.810 1.00 41.11 C ATOM 735 CG LYS A 46 -17.810 8.093 -2.008 1.00 62.52 C ATOM 736 CD LYS A 46 -16.743 8.831 -1.185 1.00 34.14 C ATOM 737 CE LYS A 46 -17.184 9.333 0.197 1.00 71.45 C ATOM 738 NZ LYS A 46 -17.389 8.277 1.210 1.00 73.40 N ATOM 0 H LYS A 46 -17.317 4.231 -1.291 1.00 13.22 H new ATOM 0 HA LYS A 46 -17.174 5.920 -3.730 1.00 72.54 H new ATOM 0 HB2 LYS A 46 -18.904 6.252 -1.993 1.00 41.11 H new ATOM 0 HB3 LYS A 46 -17.658 6.356 -0.765 1.00 41.11 H new ATOM 0 HG2 LYS A 46 -17.630 8.295 -3.064 1.00 62.52 H new ATOM 0 HG3 LYS A 46 -18.785 8.515 -1.765 1.00 62.52 H new ATOM 0 HD2 LYS A 46 -15.891 8.165 -1.052 1.00 34.14 H new ATOM 0 HD3 LYS A 46 -16.393 9.685 -1.765 1.00 34.14 H new ATOM 0 HE2 LYS A 46 -16.435 10.032 0.569 1.00 71.45 H new ATOM 0 HE3 LYS A 46 -18.113 9.892 0.084 1.00 71.45 H new ATOM 0 HZ1 LYS A 46 -16.963 8.573 2.111 1.00 73.40 H new ATOM 0 HZ2 LYS A 46 -18.408 8.118 1.344 1.00 73.40 H new ATOM 0 HZ3 LYS A 46 -16.941 7.396 0.888 1.00 73.40 H new ATOM 752 N ILE A 47 -14.830 6.669 -3.483 1.00 25.13 N ATOM 753 CA ILE A 47 -13.450 7.135 -3.396 1.00 72.00 C ATOM 754 C ILE A 47 -13.457 8.477 -2.660 1.00 22.34 C ATOM 755 O ILE A 47 -14.222 9.381 -2.995 1.00 0.24 O ATOM 756 CB ILE A 47 -12.814 7.259 -4.802 1.00 61.51 C ATOM 757 CG1 ILE A 47 -12.948 5.978 -5.660 1.00 24.34 C ATOM 758 CG2 ILE A 47 -11.333 7.664 -4.689 1.00 61.21 C ATOM 759 CD1 ILE A 47 -12.223 4.748 -5.096 1.00 63.03 C ATOM 0 H ILE A 47 -15.274 6.887 -4.375 1.00 25.13 H new ATOM 0 HA ILE A 47 -12.842 6.416 -2.847 1.00 72.00 H new ATOM 0 HB ILE A 47 -13.375 8.038 -5.318 1.00 61.51 H new ATOM 0 HG12 ILE A 47 -14.006 5.740 -5.770 1.00 24.34 H new ATOM 0 HG13 ILE A 47 -12.562 6.184 -6.658 1.00 24.34 H new ATOM 0 HG21 ILE A 47 -10.901 7.747 -5.686 1.00 61.21 H new ATOM 0 HG22 ILE A 47 -11.256 8.625 -4.180 1.00 61.21 H new ATOM 0 HG23 ILE A 47 -10.791 6.908 -4.121 1.00 61.21 H new ATOM 0 HD11 ILE A 47 -12.373 3.899 -5.764 1.00 63.03 H new ATOM 0 HD12 ILE A 47 -11.157 4.960 -5.013 1.00 63.03 H new ATOM 0 HD13 ILE A 47 -12.624 4.510 -4.111 1.00 63.03 H new ATOM 771 N GLN A 48 -12.599 8.572 -1.652 1.00 13.14 N ATOM 772 CA GLN A 48 -12.278 9.716 -0.806 1.00 61.50 C ATOM 773 C GLN A 48 -10.871 9.465 -0.280 1.00 44.41 C ATOM 774 O GLN A 48 -10.350 8.374 -0.488 1.00 11.52 O ATOM 775 CB GLN A 48 -13.268 9.801 0.368 1.00 3.31 C ATOM 776 CG GLN A 48 -13.434 8.453 1.092 1.00 65.30 C ATOM 777 CD GLN A 48 -13.882 8.621 2.534 1.00 60.44 C ATOM 778 OE1 GLN A 48 -14.918 9.212 2.817 1.00 62.22 O ATOM 779 NE2 GLN A 48 -13.107 8.112 3.470 1.00 13.21 N ATOM 0 H GLN A 48 -12.050 7.758 -1.377 1.00 13.14 H new ATOM 0 HA GLN A 48 -12.341 10.653 -1.360 1.00 61.50 H new ATOM 0 HB2 GLN A 48 -12.922 10.552 1.078 1.00 3.31 H new ATOM 0 HB3 GLN A 48 -14.238 10.134 -0.001 1.00 3.31 H new ATOM 0 HG2 GLN A 48 -14.162 7.844 0.557 1.00 65.30 H new ATOM 0 HG3 GLN A 48 -12.488 7.912 1.069 1.00 65.30 H new ATOM 0 HE21 GLN A 48 -12.249 7.624 3.212 1.00 13.21 H new ATOM 0 HE22 GLN A 48 -13.365 8.206 4.452 1.00 13.21 H new ATOM 788 N GLU A 49 -10.275 10.408 0.444 1.00 13.23 N ATOM 789 CA GLU A 49 -8.926 10.308 0.986 1.00 54.21 C ATOM 790 C GLU A 49 -8.928 10.089 2.514 1.00 72.21 C ATOM 791 O GLU A 49 -7.926 10.307 3.197 1.00 52.14 O ATOM 792 CB GLU A 49 -8.036 11.453 0.462 1.00 24.23 C ATOM 793 CG GLU A 49 -8.157 12.819 1.145 1.00 31.14 C ATOM 794 CD GLU A 49 -9.429 13.627 0.869 1.00 35.34 C ATOM 795 OE1 GLU A 49 -10.475 13.110 0.413 1.00 31.24 O ATOM 796 OE2 GLU A 49 -9.431 14.826 1.234 1.00 21.54 O ATOM 0 H GLU A 49 -10.733 11.289 0.676 1.00 13.23 H new ATOM 0 HA GLU A 49 -8.452 9.402 0.609 1.00 54.21 H new ATOM 0 HB2 GLU A 49 -6.997 11.131 0.537 1.00 24.23 H new ATOM 0 HB3 GLU A 49 -8.252 11.588 -0.598 1.00 24.23 H new ATOM 0 HG2 GLU A 49 -8.080 12.667 2.222 1.00 31.14 H new ATOM 0 HG3 GLU A 49 -7.301 13.424 0.846 1.00 31.14 H new ATOM 803 N GLY A 50 -10.063 9.646 3.058 1.00 14.12 N ATOM 804 CA GLY A 50 -10.196 9.165 4.431 1.00 43.35 C ATOM 805 C GLY A 50 -10.187 7.635 4.474 1.00 22.51 C ATOM 806 O GLY A 50 -10.160 6.979 3.431 1.00 33.22 O ATOM 0 H GLY A 50 -10.940 9.612 2.538 1.00 14.12 H new ATOM 0 HA2 GLY A 50 -9.379 9.555 5.039 1.00 43.35 H new ATOM 0 HA3 GLY A 50 -11.123 9.540 4.864 1.00 43.35 H new ATOM 810 N ILE A 51 -10.229 7.050 5.674 1.00 1.22 N ATOM 811 CA ILE A 51 -10.366 5.603 5.895 1.00 0.25 C ATOM 812 C ILE A 51 -11.729 5.169 5.341 1.00 21.12 C ATOM 813 O ILE A 51 -12.694 5.928 5.452 1.00 43.31 O ATOM 814 CB ILE A 51 -10.230 5.318 7.413 1.00 34.34 C ATOM 815 CG1 ILE A 51 -8.813 5.673 7.936 1.00 12.25 C ATOM 816 CG2 ILE A 51 -10.626 3.882 7.813 1.00 51.25 C ATOM 817 CD1 ILE A 51 -7.749 4.590 7.741 1.00 51.52 C ATOM 0 H ILE A 51 -10.167 7.581 6.543 1.00 1.22 H new ATOM 0 HA ILE A 51 -9.590 5.035 5.382 1.00 0.25 H new ATOM 0 HB ILE A 51 -10.951 5.975 7.898 1.00 34.34 H new ATOM 0 HG12 ILE A 51 -8.477 6.582 7.437 1.00 12.25 H new ATOM 0 HG13 ILE A 51 -8.884 5.901 8.999 1.00 12.25 H new ATOM 0 HG21 ILE A 51 -10.505 3.758 8.889 1.00 51.25 H new ATOM 0 HG22 ILE A 51 -11.666 3.703 7.542 1.00 51.25 H new ATOM 0 HG23 ILE A 51 -9.987 3.170 7.291 1.00 51.25 H new ATOM 0 HD11 ILE A 51 -6.797 4.939 8.141 1.00 51.52 H new ATOM 0 HD12 ILE A 51 -8.052 3.684 8.265 1.00 51.52 H new ATOM 0 HD13 ILE A 51 -7.639 4.375 6.678 1.00 51.52 H new ATOM 829 N VAL A 52 -11.822 3.969 4.761 1.00 22.01 N ATOM 830 CA VAL A 52 -13.050 3.445 4.173 1.00 35.20 C ATOM 831 C VAL A 52 -13.229 2.000 4.625 1.00 25.52 C ATOM 832 O VAL A 52 -12.370 1.161 4.348 1.00 33.33 O ATOM 833 CB VAL A 52 -13.001 3.547 2.635 1.00 73.33 C ATOM 834 CG1 VAL A 52 -14.317 3.038 2.041 1.00 35.21 C ATOM 835 CG2 VAL A 52 -12.785 4.985 2.146 1.00 30.52 C ATOM 0 H VAL A 52 -11.032 3.328 4.688 1.00 22.01 H new ATOM 0 HA VAL A 52 -13.903 4.034 4.509 1.00 35.20 H new ATOM 0 HB VAL A 52 -12.156 2.941 2.308 1.00 73.33 H new ATOM 0 HG11 VAL A 52 -14.278 3.112 0.954 1.00 35.21 H new ATOM 0 HG12 VAL A 52 -14.468 1.998 2.329 1.00 35.21 H new ATOM 0 HG13 VAL A 52 -15.143 3.642 2.416 1.00 35.21 H new ATOM 0 HG21 VAL A 52 -12.759 4.999 1.056 1.00 30.52 H new ATOM 0 HG22 VAL A 52 -13.602 5.615 2.497 1.00 30.52 H new ATOM 0 HG23 VAL A 52 -11.841 5.364 2.537 1.00 30.52 H new ATOM 845 N ASP A 53 -14.353 1.693 5.268 1.00 51.33 N ATOM 846 CA ASP A 53 -14.688 0.409 5.879 1.00 40.53 C ATOM 847 C ASP A 53 -15.678 -0.421 5.054 1.00 52.03 C ATOM 848 O ASP A 53 -16.689 -0.895 5.574 1.00 31.32 O ATOM 849 CB ASP A 53 -15.199 0.639 7.308 1.00 53.43 C ATOM 850 CG ASP A 53 -16.424 1.549 7.444 1.00 11.24 C ATOM 851 OD1 ASP A 53 -16.294 2.759 7.135 1.00 42.43 O ATOM 852 OD2 ASP A 53 -17.463 1.113 7.987 1.00 52.33 O ATOM 0 H ASP A 53 -15.101 2.377 5.383 1.00 51.33 H new ATOM 0 HA ASP A 53 -13.775 -0.185 5.910 1.00 40.53 H new ATOM 0 HB2 ASP A 53 -15.440 -0.329 7.747 1.00 53.43 H new ATOM 0 HB3 ASP A 53 -14.388 1.064 7.899 1.00 53.43 H new ATOM 857 N TYR A 54 -15.365 -0.681 3.782 1.00 54.34 N ATOM 858 CA TYR A 54 -16.212 -1.481 2.896 1.00 60.20 C ATOM 859 C TYR A 54 -15.452 -2.737 2.465 1.00 3.31 C ATOM 860 O TYR A 54 -14.696 -2.726 1.492 1.00 0.12 O ATOM 861 CB TYR A 54 -16.734 -0.636 1.723 1.00 34.22 C ATOM 862 CG TYR A 54 -17.760 -1.352 0.857 1.00 5.12 C ATOM 863 CD1 TYR A 54 -19.090 -1.497 1.296 1.00 31.30 C ATOM 864 CD2 TYR A 54 -17.388 -1.861 -0.399 1.00 34.32 C ATOM 865 CE1 TYR A 54 -20.048 -2.129 0.479 1.00 64.14 C ATOM 866 CE2 TYR A 54 -18.345 -2.463 -1.236 1.00 2.14 C ATOM 867 CZ TYR A 54 -19.681 -2.594 -0.804 1.00 34.23 C ATOM 868 OH TYR A 54 -20.588 -3.169 -1.638 1.00 61.14 O ATOM 0 H TYR A 54 -14.513 -0.341 3.337 1.00 54.34 H new ATOM 0 HA TYR A 54 -17.103 -1.814 3.428 1.00 60.20 H new ATOM 0 HB2 TYR A 54 -17.179 0.278 2.116 1.00 34.22 H new ATOM 0 HB3 TYR A 54 -15.891 -0.338 1.099 1.00 34.22 H new ATOM 0 HD1 TYR A 54 -19.378 -1.121 2.267 1.00 31.30 H new ATOM 0 HD2 TYR A 54 -16.360 -1.789 -0.724 1.00 34.32 H new ATOM 0 HE1 TYR A 54 -21.060 -2.258 0.832 1.00 64.14 H new ATOM 0 HE2 TYR A 54 -18.056 -2.826 -2.211 1.00 2.14 H new ATOM 0 HH TYR A 54 -21.476 -2.792 -1.465 1.00 61.14 H new ATOM 878 N GLY A 55 -15.631 -3.836 3.195 1.00 23.00 N ATOM 879 CA GLY A 55 -14.974 -5.099 2.895 1.00 0.03 C ATOM 880 C GLY A 55 -13.621 -5.148 3.584 1.00 61.31 C ATOM 881 O GLY A 55 -13.508 -5.734 4.661 1.00 60.11 O ATOM 0 H GLY A 55 -16.239 -3.872 4.013 1.00 23.00 H new ATOM 0 HA2 GLY A 55 -15.594 -5.931 3.230 1.00 0.03 H new ATOM 0 HA3 GLY A 55 -14.849 -5.208 1.818 1.00 0.03 H new ATOM 885 N VAL A 56 -12.618 -4.493 3.008 1.00 61.50 N ATOM 886 CA VAL A 56 -11.318 -4.261 3.637 1.00 22.24 C ATOM 887 C VAL A 56 -11.367 -2.834 4.186 1.00 61.00 C ATOM 888 O VAL A 56 -11.992 -1.967 3.565 1.00 21.35 O ATOM 889 CB VAL A 56 -10.205 -4.468 2.584 1.00 52.43 C ATOM 890 CG1 VAL A 56 -8.786 -4.165 3.081 1.00 72.12 C ATOM 891 CG2 VAL A 56 -10.203 -5.915 2.078 1.00 72.21 C ATOM 0 H VAL A 56 -12.686 -4.099 2.070 1.00 61.50 H new ATOM 0 HA VAL A 56 -11.101 -4.953 4.450 1.00 22.24 H new ATOM 0 HB VAL A 56 -10.446 -3.754 1.797 1.00 52.43 H new ATOM 0 HG11 VAL A 56 -8.073 -4.338 2.275 1.00 72.12 H new ATOM 0 HG12 VAL A 56 -8.727 -3.125 3.400 1.00 72.12 H new ATOM 0 HG13 VAL A 56 -8.548 -4.817 3.922 1.00 72.12 H new ATOM 0 HG21 VAL A 56 -9.413 -6.041 1.338 1.00 72.21 H new ATOM 0 HG22 VAL A 56 -10.028 -6.592 2.914 1.00 72.21 H new ATOM 0 HG23 VAL A 56 -11.167 -6.142 1.622 1.00 72.21 H new ATOM 901 N ARG A 57 -10.714 -2.549 5.318 1.00 61.41 N ATOM 902 CA ARG A 57 -10.453 -1.172 5.722 1.00 32.45 C ATOM 903 C ARG A 57 -9.334 -0.664 4.818 1.00 25.15 C ATOM 904 O ARG A 57 -8.150 -0.944 5.063 1.00 34.21 O ATOM 905 CB ARG A 57 -10.095 -1.025 7.217 1.00 31.02 C ATOM 906 CG ARG A 57 -11.074 -1.647 8.225 1.00 23.10 C ATOM 907 CD ARG A 57 -12.527 -1.281 7.952 1.00 45.01 C ATOM 908 NE ARG A 57 -13.379 -1.422 9.140 1.00 64.11 N ATOM 909 CZ ARG A 57 -13.948 -2.540 9.607 1.00 12.51 C ATOM 910 NH1 ARG A 57 -13.759 -3.725 9.043 1.00 64.40 N ATOM 911 NH2 ARG A 57 -14.734 -2.455 10.662 1.00 42.33 N ATOM 0 H ARG A 57 -10.360 -3.253 5.965 1.00 61.41 H new ATOM 0 HA ARG A 57 -11.359 -0.577 5.608 1.00 32.45 H new ATOM 0 HB2 ARG A 57 -9.113 -1.470 7.377 1.00 31.02 H new ATOM 0 HB3 ARG A 57 -10.004 0.038 7.442 1.00 31.02 H new ATOM 0 HG2 ARG A 57 -10.969 -2.732 8.203 1.00 23.10 H new ATOM 0 HG3 ARG A 57 -10.806 -1.321 9.230 1.00 23.10 H new ATOM 0 HD2 ARG A 57 -12.577 -0.253 7.594 1.00 45.01 H new ATOM 0 HD3 ARG A 57 -12.914 -1.916 7.155 1.00 45.01 H new ATOM 0 HE ARG A 57 -13.558 -0.569 9.671 1.00 64.11 H new ATOM 0 HH11 ARG A 57 -13.161 -3.809 8.221 1.00 64.40 H new ATOM 0 HH12 ARG A 57 -14.212 -4.553 9.431 1.00 64.40 H new ATOM 0 HH21 ARG A 57 -14.898 -1.551 11.105 1.00 42.33 H new ATOM 0 HH22 ARG A 57 -15.179 -3.294 11.036 1.00 42.33 H new ATOM 925 N PHE A 58 -9.700 -0.018 3.716 1.00 32.21 N ATOM 926 CA PHE A 58 -8.741 0.678 2.879 1.00 61.41 C ATOM 927 C PHE A 58 -8.475 2.047 3.489 1.00 73.04 C ATOM 928 O PHE A 58 -9.255 2.555 4.300 1.00 14.12 O ATOM 929 CB PHE A 58 -9.251 0.806 1.434 1.00 23.51 C ATOM 930 CG PHE A 58 -9.417 -0.514 0.704 1.00 11.14 C ATOM 931 CD1 PHE A 58 -8.348 -1.425 0.647 1.00 52.54 C ATOM 932 CD2 PHE A 58 -10.613 -0.813 0.027 1.00 22.10 C ATOM 933 CE1 PHE A 58 -8.481 -2.643 -0.032 1.00 31.31 C ATOM 934 CE2 PHE A 58 -10.758 -2.042 -0.638 1.00 10.15 C ATOM 935 CZ PHE A 58 -9.696 -2.960 -0.654 1.00 42.42 C ATOM 0 H PHE A 58 -10.663 0.035 3.383 1.00 32.21 H new ATOM 0 HA PHE A 58 -7.813 0.108 2.836 1.00 61.41 H new ATOM 0 HB2 PHE A 58 -10.211 1.323 1.446 1.00 23.51 H new ATOM 0 HB3 PHE A 58 -8.558 1.432 0.872 1.00 23.51 H new ATOM 0 HD1 PHE A 58 -7.414 -1.183 1.132 1.00 52.54 H new ATOM 0 HD2 PHE A 58 -11.421 -0.097 0.018 1.00 22.10 H new ATOM 0 HE1 PHE A 58 -7.652 -3.334 -0.076 1.00 31.31 H new ATOM 0 HE2 PHE A 58 -11.686 -2.280 -1.137 1.00 10.15 H new ATOM 0 HZ PHE A 58 -9.816 -3.913 -1.147 1.00 42.42 H new ATOM 945 N PHE A 59 -7.393 2.667 3.038 1.00 23.54 N ATOM 946 CA PHE A 59 -7.081 4.058 3.295 1.00 60.42 C ATOM 947 C PHE A 59 -6.536 4.618 1.988 1.00 4.21 C ATOM 948 O PHE A 59 -5.947 3.864 1.208 1.00 24.25 O ATOM 949 CB PHE A 59 -6.066 4.127 4.442 1.00 55.12 C ATOM 950 CG PHE A 59 -5.822 5.487 5.072 1.00 33.33 C ATOM 951 CD1 PHE A 59 -6.792 6.510 5.065 1.00 32.31 C ATOM 952 CD2 PHE A 59 -4.605 5.703 5.736 1.00 5.05 C ATOM 953 CE1 PHE A 59 -6.510 7.759 5.639 1.00 54.31 C ATOM 954 CE2 PHE A 59 -4.316 6.953 6.310 1.00 31.34 C ATOM 955 CZ PHE A 59 -5.272 7.982 6.259 1.00 73.20 C ATOM 0 H PHE A 59 -6.690 2.198 2.467 1.00 23.54 H new ATOM 0 HA PHE A 59 -7.945 4.646 3.604 1.00 60.42 H new ATOM 0 HB2 PHE A 59 -6.396 3.446 5.226 1.00 55.12 H new ATOM 0 HB3 PHE A 59 -5.112 3.750 4.072 1.00 55.12 H new ATOM 0 HD1 PHE A 59 -7.758 6.331 4.615 1.00 32.31 H new ATOM 0 HD2 PHE A 59 -3.884 4.902 5.807 1.00 5.05 H new ATOM 0 HE1 PHE A 59 -7.246 8.548 5.603 1.00 54.31 H new ATOM 0 HE2 PHE A 59 -3.363 7.122 6.789 1.00 31.34 H new ATOM 0 HZ PHE A 59 -5.053 8.945 6.697 1.00 73.20 H new ATOM 965 N PHE A 60 -6.757 5.905 1.740 1.00 71.13 N ATOM 966 CA PHE A 60 -6.597 6.513 0.431 1.00 43.31 C ATOM 967 C PHE A 60 -5.886 7.853 0.549 1.00 53.20 C ATOM 968 O PHE A 60 -5.950 8.486 1.602 1.00 42.35 O ATOM 969 CB PHE A 60 -7.982 6.725 -0.166 1.00 63.25 C ATOM 970 CG PHE A 60 -8.697 5.498 -0.692 1.00 45.22 C ATOM 971 CD1 PHE A 60 -8.098 4.713 -1.694 1.00 14.33 C ATOM 972 CD2 PHE A 60 -9.999 5.195 -0.250 1.00 55.41 C ATOM 973 CE1 PHE A 60 -8.815 3.654 -2.270 1.00 1.12 C ATOM 974 CE2 PHE A 60 -10.718 4.140 -0.838 1.00 11.21 C ATOM 975 CZ PHE A 60 -10.133 3.382 -1.863 1.00 31.21 C ATOM 0 H PHE A 60 -7.058 6.563 2.459 1.00 71.13 H new ATOM 0 HA PHE A 60 -5.998 5.861 -0.205 1.00 43.31 H new ATOM 0 HB2 PHE A 60 -8.613 7.185 0.595 1.00 63.25 H new ATOM 0 HB3 PHE A 60 -7.893 7.442 -0.982 1.00 63.25 H new ATOM 0 HD1 PHE A 60 -7.090 4.925 -2.018 1.00 14.33 H new ATOM 0 HD2 PHE A 60 -10.447 5.775 0.543 1.00 55.41 H new ATOM 0 HE1 PHE A 60 -8.352 3.044 -3.031 1.00 1.12 H new ATOM 0 HE2 PHE A 60 -11.719 3.913 -0.501 1.00 11.21 H new ATOM 0 HZ PHE A 60 -10.694 2.591 -2.339 1.00 31.21 H new ATOM 985 N TYR A 61 -5.256 8.318 -0.535 1.00 41.33 N ATOM 986 CA TYR A 61 -4.438 9.528 -0.525 1.00 70.53 C ATOM 987 C TYR A 61 -4.454 10.204 -1.877 1.00 24.12 C ATOM 988 O TYR A 61 -4.204 9.564 -2.900 1.00 40.13 O ATOM 989 CB TYR A 61 -2.978 9.196 -0.199 1.00 13.43 C ATOM 990 CG TYR A 61 -2.817 8.189 0.906 1.00 52.42 C ATOM 991 CD1 TYR A 61 -2.904 8.600 2.242 1.00 51.21 C ATOM 992 CD2 TYR A 61 -2.665 6.832 0.587 1.00 14.11 C ATOM 993 CE1 TYR A 61 -2.748 7.668 3.274 1.00 3.42 C ATOM 994 CE2 TYR A 61 -2.516 5.888 1.609 1.00 50.52 C ATOM 995 CZ TYR A 61 -2.516 6.314 2.954 1.00 50.24 C ATOM 996 OH TYR A 61 -2.238 5.427 3.935 1.00 1.41 O ATOM 0 H TYR A 61 -5.301 7.861 -1.446 1.00 41.33 H new ATOM 0 HA TYR A 61 -4.859 10.187 0.234 1.00 70.53 H new ATOM 0 HB2 TYR A 61 -2.492 8.816 -1.098 1.00 13.43 H new ATOM 0 HB3 TYR A 61 -2.460 10.114 0.080 1.00 13.43 H new ATOM 0 HD1 TYR A 61 -3.092 9.637 2.476 1.00 51.21 H new ATOM 0 HD2 TYR A 61 -2.663 6.516 -0.446 1.00 14.11 H new ATOM 0 HE1 TYR A 61 -2.805 7.982 4.306 1.00 3.42 H new ATOM 0 HE2 TYR A 61 -2.402 4.841 1.370 1.00 50.52 H new ATOM 0 HH TYR A 61 -2.698 5.695 4.758 1.00 1.41 H new ATOM 1006 N THR A 62 -4.679 11.506 -1.859 1.00 34.00 N ATOM 1007 CA THR A 62 -4.456 12.381 -2.992 1.00 72.41 C ATOM 1008 C THR A 62 -2.952 12.610 -3.178 1.00 34.50 C ATOM 1009 O THR A 62 -2.271 12.964 -2.211 1.00 24.43 O ATOM 1010 CB THR A 62 -5.239 13.690 -2.767 1.00 53.14 C ATOM 1011 OG1 THR A 62 -5.548 13.996 -1.415 1.00 45.40 O ATOM 1012 CG2 THR A 62 -6.603 13.527 -3.414 1.00 1.25 C ATOM 0 H THR A 62 -5.030 11.994 -1.035 1.00 34.00 H new ATOM 0 HA THR A 62 -4.821 11.930 -3.915 1.00 72.41 H new ATOM 0 HB THR A 62 -4.596 14.473 -3.169 1.00 53.14 H new ATOM 0 HG1 THR A 62 -6.042 14.842 -1.376 1.00 45.40 H new ATOM 0 HG21 THR A 62 -7.184 14.438 -3.273 1.00 1.25 H new ATOM 0 HG22 THR A 62 -6.480 13.337 -4.480 1.00 1.25 H new ATOM 0 HG23 THR A 62 -7.126 12.688 -2.954 1.00 1.25 H new ATOM 1020 N SER A 63 -2.454 12.434 -4.412 1.00 41.12 N ATOM 1021 CA SER A 63 -1.080 12.716 -4.835 1.00 64.32 C ATOM 1022 C SER A 63 -0.625 14.129 -4.452 1.00 2.31 C ATOM 1023 O SER A 63 0.581 14.364 -4.356 1.00 22.44 O ATOM 1024 CB SER A 63 -1.002 12.512 -6.357 1.00 53.23 C ATOM 1025 OG SER A 63 0.253 12.839 -6.934 1.00 20.02 O ATOM 0 H SER A 63 -3.028 12.074 -5.175 1.00 41.12 H new ATOM 0 HA SER A 63 -0.405 12.034 -4.319 1.00 64.32 H new ATOM 0 HB2 SER A 63 -1.230 11.470 -6.583 1.00 53.23 H new ATOM 0 HB3 SER A 63 -1.774 13.118 -6.831 1.00 53.23 H new ATOM 0 HG SER A 63 0.870 12.086 -6.824 1.00 20.02 H new ATOM 1031 N LYS A 64 -1.551 15.071 -4.218 1.00 5.31 N ATOM 1032 CA LYS A 64 -1.219 16.395 -3.701 1.00 73.15 C ATOM 1033 C LYS A 64 -0.308 16.304 -2.482 1.00 33.42 C ATOM 1034 O LYS A 64 0.617 17.106 -2.375 1.00 41.53 O ATOM 1035 CB LYS A 64 -2.496 17.217 -3.426 1.00 65.23 C ATOM 1036 CG LYS A 64 -3.293 16.859 -2.159 1.00 51.20 C ATOM 1037 CD LYS A 64 -2.802 17.556 -0.883 1.00 53.41 C ATOM 1038 CE LYS A 64 -3.600 18.787 -0.449 1.00 41.32 C ATOM 1039 NZ LYS A 64 -3.096 19.272 0.852 1.00 24.10 N ATOM 0 H LYS A 64 -2.548 14.931 -4.383 1.00 5.31 H new ATOM 0 HA LYS A 64 -0.657 16.929 -4.467 1.00 73.15 H new ATOM 0 HB2 LYS A 64 -2.216 18.269 -3.365 1.00 65.23 H new ATOM 0 HB3 LYS A 64 -3.159 17.112 -4.285 1.00 65.23 H new ATOM 0 HG2 LYS A 64 -4.340 17.116 -2.319 1.00 51.20 H new ATOM 0 HG3 LYS A 64 -3.249 15.780 -2.009 1.00 51.20 H new ATOM 0 HD2 LYS A 64 -2.815 16.832 -0.068 1.00 53.41 H new ATOM 0 HD3 LYS A 64 -1.763 17.853 -1.030 1.00 53.41 H new ATOM 0 HE2 LYS A 64 -3.513 19.572 -1.200 1.00 41.32 H new ATOM 0 HE3 LYS A 64 -4.658 18.538 -0.370 1.00 41.32 H new ATOM 0 HZ1 LYS A 64 -3.894 19.599 1.433 1.00 24.10 H new ATOM 0 HZ2 LYS A 64 -2.603 18.499 1.343 1.00 24.10 H new ATOM 0 HZ3 LYS A 64 -2.435 20.060 0.696 1.00 24.10 H new ATOM 1053 N GLU A 65 -0.597 15.392 -1.550 1.00 21.55 N ATOM 1054 CA GLU A 65 0.152 15.365 -0.297 1.00 1.40 C ATOM 1055 C GLU A 65 1.529 14.721 -0.539 1.00 52.13 C ATOM 1056 O GLU A 65 1.610 13.766 -1.315 1.00 52.34 O ATOM 1057 CB GLU A 65 -0.606 14.587 0.788 1.00 33.24 C ATOM 1058 CG GLU A 65 -0.834 15.366 2.098 1.00 51.11 C ATOM 1059 CD GLU A 65 -2.234 15.968 2.215 1.00 3.32 C ATOM 1060 OE1 GLU A 65 -3.234 15.226 2.083 1.00 32.31 O ATOM 1061 OE2 GLU A 65 -2.369 17.185 2.481 1.00 63.43 O ATOM 0 H GLU A 65 -1.324 14.682 -1.636 1.00 21.55 H new ATOM 0 HA GLU A 65 0.279 16.390 0.052 1.00 1.40 H new ATOM 0 HB2 GLU A 65 -1.574 14.283 0.389 1.00 33.24 H new ATOM 0 HB3 GLU A 65 -0.054 13.675 1.015 1.00 33.24 H new ATOM 0 HG2 GLU A 65 -0.663 14.699 2.943 1.00 51.11 H new ATOM 0 HG3 GLU A 65 -0.097 16.165 2.169 1.00 51.11 H new ATOM 1068 N PRO A 66 2.602 15.158 0.143 1.00 43.32 N ATOM 1069 CA PRO A 66 3.889 14.478 0.091 1.00 70.21 C ATOM 1070 C PRO A 66 3.776 13.048 0.636 1.00 31.23 C ATOM 1071 O PRO A 66 3.127 12.825 1.661 1.00 74.53 O ATOM 1072 CB PRO A 66 4.857 15.316 0.937 1.00 63.43 C ATOM 1073 CG PRO A 66 4.067 16.496 1.494 1.00 32.54 C ATOM 1074 CD PRO A 66 2.624 16.287 1.054 1.00 53.05 C ATOM 0 HA PRO A 66 4.245 14.390 -0.936 1.00 70.21 H new ATOM 0 HB2 PRO A 66 5.277 14.718 1.746 1.00 63.43 H new ATOM 0 HB3 PRO A 66 5.693 15.665 0.331 1.00 63.43 H new ATOM 0 HG2 PRO A 66 4.141 16.536 2.581 1.00 32.54 H new ATOM 0 HG3 PRO A 66 4.457 17.440 1.114 1.00 32.54 H new ATOM 0 HD2 PRO A 66 1.985 16.096 1.916 1.00 53.05 H new ATOM 0 HD3 PRO A 66 2.240 17.182 0.564 1.00 53.05 H new ATOM 1082 N VAL A 67 4.489 12.096 0.027 1.00 40.33 N ATOM 1083 CA VAL A 67 4.584 10.695 0.452 1.00 35.13 C ATOM 1084 C VAL A 67 4.957 10.628 1.935 1.00 65.41 C ATOM 1085 O VAL A 67 4.356 9.859 2.693 1.00 21.12 O ATOM 1086 CB VAL A 67 5.611 9.951 -0.437 1.00 54.43 C ATOM 1087 CG1 VAL A 67 5.888 8.500 -0.015 1.00 74.01 C ATOM 1088 CG2 VAL A 67 5.137 9.903 -1.892 1.00 13.14 C ATOM 0 H VAL A 67 5.039 12.288 -0.810 1.00 40.33 H new ATOM 0 HA VAL A 67 3.620 10.202 0.332 1.00 35.13 H new ATOM 0 HB VAL A 67 6.530 10.525 -0.319 1.00 54.43 H new ATOM 0 HG11 VAL A 67 6.618 8.057 -0.692 1.00 74.01 H new ATOM 0 HG12 VAL A 67 6.281 8.485 1.002 1.00 74.01 H new ATOM 0 HG13 VAL A 67 4.962 7.927 -0.054 1.00 74.01 H new ATOM 0 HG21 VAL A 67 5.874 9.376 -2.498 1.00 13.14 H new ATOM 0 HG22 VAL A 67 4.182 9.380 -1.946 1.00 13.14 H new ATOM 0 HG23 VAL A 67 5.017 10.919 -2.269 1.00 13.14 H new ATOM 1098 N ALA A 68 5.918 11.447 2.370 1.00 22.25 N ATOM 1099 CA ALA A 68 6.375 11.447 3.754 1.00 41.34 C ATOM 1100 C ALA A 68 5.352 12.034 4.737 1.00 43.51 C ATOM 1101 O ALA A 68 5.508 11.856 5.948 1.00 24.51 O ATOM 1102 CB ALA A 68 7.701 12.191 3.852 1.00 42.53 C ATOM 0 H ALA A 68 6.396 12.123 1.774 1.00 22.25 H new ATOM 0 HA ALA A 68 6.506 10.405 4.047 1.00 41.34 H new ATOM 0 HB1 ALA A 68 8.043 12.191 4.887 1.00 42.53 H new ATOM 0 HB2 ALA A 68 8.443 11.696 3.225 1.00 42.53 H new ATOM 0 HB3 ALA A 68 7.567 13.219 3.514 1.00 42.53 H new ATOM 1108 N SER A 69 4.313 12.727 4.264 1.00 2.33 N ATOM 1109 CA SER A 69 3.186 13.111 5.102 1.00 45.13 C ATOM 1110 C SER A 69 2.436 11.837 5.504 1.00 25.31 C ATOM 1111 O SER A 69 2.274 11.574 6.698 1.00 45.55 O ATOM 1112 CB SER A 69 2.305 14.123 4.356 1.00 72.42 C ATOM 1113 OG SER A 69 1.629 14.966 5.263 1.00 53.21 O ATOM 0 H SER A 69 4.234 13.034 3.294 1.00 2.33 H new ATOM 0 HA SER A 69 3.516 13.609 6.014 1.00 45.13 H new ATOM 0 HB2 SER A 69 2.921 14.723 3.686 1.00 72.42 H new ATOM 0 HB3 SER A 69 1.581 13.594 3.736 1.00 72.42 H new ATOM 0 HG SER A 69 1.075 15.604 4.766 1.00 53.21 H new ATOM 1119 N ILE A 70 2.074 10.995 4.525 1.00 11.15 N ATOM 1120 CA ILE A 70 1.302 9.768 4.722 1.00 0.13 C ATOM 1121 C ILE A 70 1.974 8.854 5.752 1.00 22.20 C ATOM 1122 O ILE A 70 1.268 8.293 6.593 1.00 3.12 O ATOM 1123 CB ILE A 70 1.079 9.042 3.370 1.00 15.03 C ATOM 1124 CG1 ILE A 70 0.035 9.769 2.498 1.00 73.33 C ATOM 1125 CG2 ILE A 70 0.630 7.580 3.577 1.00 4.13 C ATOM 1126 CD1 ILE A 70 0.534 10.999 1.740 1.00 74.51 C ATOM 0 H ILE A 70 2.319 11.157 3.548 1.00 11.15 H new ATOM 0 HA ILE A 70 0.323 10.037 5.120 1.00 0.13 H new ATOM 0 HB ILE A 70 2.040 9.051 2.856 1.00 15.03 H new ATOM 0 HG12 ILE A 70 -0.363 9.058 1.774 1.00 73.33 H new ATOM 0 HG13 ILE A 70 -0.795 10.072 3.137 1.00 73.33 H new ATOM 0 HG21 ILE A 70 0.484 7.104 2.608 1.00 4.13 H new ATOM 0 HG22 ILE A 70 1.395 7.040 4.135 1.00 4.13 H new ATOM 0 HG23 ILE A 70 -0.306 7.562 4.135 1.00 4.13 H new ATOM 0 HD11 ILE A 70 -0.285 11.427 1.162 1.00 74.51 H new ATOM 0 HD12 ILE A 70 0.903 11.739 2.450 1.00 74.51 H new ATOM 0 HD13 ILE A 70 1.341 10.709 1.067 1.00 74.51 H new ATOM 1138 N ILE A 71 3.310 8.734 5.718 1.00 64.01 N ATOM 1139 CA ILE A 71 4.093 7.952 6.681 1.00 51.20 C ATOM 1140 C ILE A 71 3.600 8.244 8.105 1.00 73.11 C ATOM 1141 O ILE A 71 3.357 7.338 8.901 1.00 10.52 O ATOM 1142 CB ILE A 71 5.602 8.295 6.551 1.00 13.32 C ATOM 1143 CG1 ILE A 71 6.234 7.972 5.180 1.00 3.23 C ATOM 1144 CG2 ILE A 71 6.405 7.603 7.659 1.00 55.24 C ATOM 1145 CD1 ILE A 71 6.437 6.487 4.868 1.00 1.04 C ATOM 0 H ILE A 71 3.885 9.187 5.007 1.00 64.01 H new ATOM 0 HA ILE A 71 3.962 6.891 6.470 1.00 51.20 H new ATOM 0 HB ILE A 71 5.650 9.379 6.652 1.00 13.32 H new ATOM 0 HG12 ILE A 71 5.605 8.404 4.401 1.00 3.23 H new ATOM 0 HG13 ILE A 71 7.201 8.471 5.122 1.00 3.23 H new ATOM 0 HG21 ILE A 71 7.461 7.853 7.554 1.00 55.24 H new ATOM 0 HG22 ILE A 71 6.047 7.940 8.632 1.00 55.24 H new ATOM 0 HG23 ILE A 71 6.279 6.523 7.580 1.00 55.24 H new ATOM 0 HD11 ILE A 71 6.887 6.381 3.881 1.00 1.04 H new ATOM 0 HD12 ILE A 71 7.095 6.045 5.616 1.00 1.04 H new ATOM 0 HD13 ILE A 71 5.474 5.977 4.885 1.00 1.04 H new ATOM 1157 N THR A 72 3.450 9.528 8.413 1.00 20.42 N ATOM 1158 CA THR A 72 3.094 10.028 9.725 1.00 0.41 C ATOM 1159 C THR A 72 1.687 9.566 10.122 1.00 1.21 C ATOM 1160 O THR A 72 1.472 9.169 11.270 1.00 2.21 O ATOM 1161 CB THR A 72 3.226 11.562 9.700 1.00 31.35 C ATOM 1162 OG1 THR A 72 4.381 11.949 8.962 1.00 33.41 O ATOM 1163 CG2 THR A 72 3.322 12.135 11.110 1.00 63.21 C ATOM 0 H THR A 72 3.579 10.272 7.727 1.00 20.42 H new ATOM 0 HA THR A 72 3.765 9.627 10.485 1.00 0.41 H new ATOM 0 HB THR A 72 2.331 11.958 9.220 1.00 31.35 H new ATOM 0 HG1 THR A 72 4.451 12.926 8.953 1.00 33.41 H new ATOM 0 HG21 THR A 72 3.414 13.220 11.056 1.00 63.21 H new ATOM 0 HG22 THR A 72 2.424 11.874 11.671 1.00 63.21 H new ATOM 0 HG23 THR A 72 4.196 11.721 11.612 1.00 63.21 H new ATOM 1171 N LYS A 73 0.721 9.579 9.196 1.00 15.21 N ATOM 1172 CA LYS A 73 -0.621 9.089 9.463 1.00 34.13 C ATOM 1173 C LYS A 73 -0.572 7.597 9.782 1.00 73.42 C ATOM 1174 O LYS A 73 -1.163 7.157 10.770 1.00 31.15 O ATOM 1175 CB LYS A 73 -1.532 9.313 8.253 1.00 5.30 C ATOM 1176 CG LYS A 73 -1.686 10.759 7.763 1.00 45.12 C ATOM 1177 CD LYS A 73 -2.815 10.764 6.725 1.00 52.42 C ATOM 1178 CE LYS A 73 -2.910 12.044 5.897 1.00 70.45 C ATOM 1179 NZ LYS A 73 -3.798 13.057 6.501 1.00 44.35 N ATOM 0 H LYS A 73 0.854 9.929 8.247 1.00 15.21 H new ATOM 0 HA LYS A 73 -1.022 9.639 10.314 1.00 34.13 H new ATOM 0 HB2 LYS A 73 -1.153 8.712 7.426 1.00 5.30 H new ATOM 0 HB3 LYS A 73 -2.523 8.930 8.498 1.00 5.30 H new ATOM 0 HG2 LYS A 73 -1.923 11.424 8.593 1.00 45.12 H new ATOM 0 HG3 LYS A 73 -0.756 11.118 7.322 1.00 45.12 H new ATOM 0 HD2 LYS A 73 -2.674 9.920 6.050 1.00 52.42 H new ATOM 0 HD3 LYS A 73 -3.764 10.607 7.238 1.00 52.42 H new ATOM 0 HE2 LYS A 73 -1.913 12.468 5.778 1.00 70.45 H new ATOM 0 HE3 LYS A 73 -3.274 11.799 4.899 1.00 70.45 H new ATOM 0 HZ1 LYS A 73 -3.823 13.902 5.896 1.00 44.35 H new ATOM 0 HZ2 LYS A 73 -4.758 12.667 6.591 1.00 44.35 H new ATOM 0 HZ3 LYS A 73 -3.440 13.316 7.442 1.00 44.35 H new ATOM 1193 N LEU A 74 0.128 6.826 8.947 1.00 41.32 N ATOM 1194 CA LEU A 74 0.229 5.377 9.062 1.00 74.34 C ATOM 1195 C LEU A 74 0.855 4.986 10.394 1.00 50.24 C ATOM 1196 O LEU A 74 0.346 4.092 11.065 1.00 14.42 O ATOM 1197 CB LEU A 74 1.046 4.816 7.888 1.00 4.15 C ATOM 1198 CG LEU A 74 0.276 4.837 6.557 1.00 10.32 C ATOM 1199 CD1 LEU A 74 1.241 4.465 5.427 1.00 21.54 C ATOM 1200 CD2 LEU A 74 -0.938 3.892 6.594 1.00 75.43 C ATOM 0 H LEU A 74 0.650 7.204 8.156 1.00 41.32 H new ATOM 0 HA LEU A 74 -0.773 4.950 9.026 1.00 74.34 H new ATOM 0 HB2 LEU A 74 1.963 5.396 7.780 1.00 4.15 H new ATOM 0 HB3 LEU A 74 1.341 3.792 8.115 1.00 4.15 H new ATOM 0 HG LEU A 74 -0.117 5.838 6.382 1.00 10.32 H new ATOM 0 HD11 LEU A 74 0.709 4.476 4.476 1.00 21.54 H new ATOM 0 HD12 LEU A 74 2.058 5.186 5.394 1.00 21.54 H new ATOM 0 HD13 LEU A 74 1.644 3.468 5.606 1.00 21.54 H new ATOM 0 HD21 LEU A 74 -1.459 3.932 5.638 1.00 75.43 H new ATOM 0 HD22 LEU A 74 -0.600 2.873 6.781 1.00 75.43 H new ATOM 0 HD23 LEU A 74 -1.616 4.201 7.390 1.00 75.43 H new ATOM 1212 N ASN A 75 1.915 5.686 10.805 1.00 51.14 N ATOM 1213 CA ASN A 75 2.578 5.460 12.084 1.00 70.41 C ATOM 1214 C ASN A 75 1.589 5.534 13.249 1.00 23.21 C ATOM 1215 O ASN A 75 1.703 4.725 14.167 1.00 30.34 O ATOM 1216 CB ASN A 75 3.691 6.490 12.320 1.00 51.21 C ATOM 1217 CG ASN A 75 4.990 6.247 11.563 1.00 25.23 C ATOM 1218 OD1 ASN A 75 5.247 5.177 11.019 1.00 1.33 O ATOM 1219 ND2 ASN A 75 5.868 7.236 11.549 1.00 54.13 N ATOM 0 H ASN A 75 2.338 6.431 10.252 1.00 51.14 H new ATOM 0 HA ASN A 75 3.008 4.459 12.040 1.00 70.41 H new ATOM 0 HB2 ASN A 75 3.312 7.475 12.047 1.00 51.21 H new ATOM 0 HB3 ASN A 75 3.914 6.518 13.387 1.00 51.21 H new ATOM 0 HD21 ASN A 75 6.767 7.113 11.084 1.00 54.13 H new ATOM 0 HD22 ASN A 75 5.646 8.122 12.004 1.00 54.13 H new ATOM 1226 N SER A 76 0.640 6.481 13.210 1.00 41.24 N ATOM 1227 CA SER A 76 -0.351 6.701 14.259 1.00 61.53 C ATOM 1228 C SER A 76 -1.244 5.480 14.464 1.00 20.40 C ATOM 1229 O SER A 76 -1.633 5.213 15.603 1.00 44.32 O ATOM 1230 CB SER A 76 -1.238 7.901 13.898 1.00 44.22 C ATOM 1231 OG SER A 76 -1.155 8.947 14.851 1.00 5.31 O ATOM 0 H SER A 76 0.543 7.127 12.427 1.00 41.24 H new ATOM 0 HA SER A 76 0.195 6.892 15.183 1.00 61.53 H new ATOM 0 HB2 SER A 76 -0.946 8.282 12.919 1.00 44.22 H new ATOM 0 HB3 SER A 76 -2.274 7.571 13.816 1.00 44.22 H new ATOM 0 HG SER A 76 -1.735 9.687 14.576 1.00 5.31 H new ATOM 1237 N LEU A 77 -1.578 4.754 13.391 1.00 34.34 N ATOM 1238 CA LEU A 77 -2.427 3.570 13.497 1.00 73.25 C ATOM 1239 C LEU A 77 -1.731 2.527 14.352 1.00 13.33 C ATOM 1240 O LEU A 77 -2.384 1.864 15.155 1.00 52.22 O ATOM 1241 CB LEU A 77 -2.726 2.965 12.119 1.00 54.43 C ATOM 1242 CG LEU A 77 -3.607 3.859 11.235 1.00 2.42 C ATOM 1243 CD1 LEU A 77 -3.576 3.321 9.809 1.00 53.43 C ATOM 1244 CD2 LEU A 77 -5.053 3.890 11.728 1.00 64.31 C ATOM 0 H LEU A 77 -1.272 4.968 12.442 1.00 34.34 H new ATOM 0 HA LEU A 77 -3.370 3.873 13.952 1.00 73.25 H new ATOM 0 HB2 LEU A 77 -1.785 2.773 11.604 1.00 54.43 H new ATOM 0 HB3 LEU A 77 -3.219 2.002 12.253 1.00 54.43 H new ATOM 0 HG LEU A 77 -3.216 4.876 11.276 1.00 2.42 H new ATOM 0 HD11 LEU A 77 -4.198 3.948 9.170 1.00 53.43 H new ATOM 0 HD12 LEU A 77 -2.551 3.331 9.439 1.00 53.43 H new ATOM 0 HD13 LEU A 77 -3.957 2.300 9.797 1.00 53.43 H new ATOM 0 HD21 LEU A 77 -5.646 4.533 11.077 1.00 64.31 H new ATOM 0 HD22 LEU A 77 -5.464 2.881 11.713 1.00 64.31 H new ATOM 0 HD23 LEU A 77 -5.082 4.279 12.746 1.00 64.31 H new ATOM 1256 N ASN A 78 -0.411 2.407 14.174 1.00 32.32 N ATOM 1257 CA ASN A 78 0.473 1.457 14.852 1.00 62.04 C ATOM 1258 C ASN A 78 0.078 -0.006 14.566 1.00 44.23 C ATOM 1259 O ASN A 78 0.604 -0.918 15.196 1.00 3.25 O ATOM 1260 CB ASN A 78 0.541 1.823 16.350 1.00 74.21 C ATOM 1261 CG ASN A 78 1.663 1.147 17.125 1.00 74.14 C ATOM 1262 OD1 ASN A 78 1.417 0.352 18.027 1.00 23.34 O ATOM 1263 ND2 ASN A 78 2.910 1.495 16.856 1.00 12.14 N ATOM 0 H ASN A 78 0.095 3.002 13.518 1.00 32.32 H new ATOM 0 HA ASN A 78 1.484 1.535 14.453 1.00 62.04 H new ATOM 0 HB2 ASN A 78 0.656 2.903 16.440 1.00 74.21 H new ATOM 0 HB3 ASN A 78 -0.410 1.564 16.816 1.00 74.21 H new ATOM 0 HD21 ASN A 78 3.678 1.102 17.400 1.00 12.14 H new ATOM 0 HD22 ASN A 78 3.104 2.157 16.104 1.00 12.14 H new ATOM 1270 N GLU A 79 -0.828 -0.225 13.609 1.00 45.04 N ATOM 1271 CA GLU A 79 -1.402 -1.503 13.201 1.00 4.54 C ATOM 1272 C GLU A 79 -0.544 -2.198 12.135 1.00 12.02 C ATOM 1273 O GLU A 79 0.269 -1.542 11.481 1.00 22.33 O ATOM 1274 CB GLU A 79 -2.797 -1.230 12.599 1.00 40.13 C ATOM 1275 CG GLU A 79 -3.874 -0.972 13.655 1.00 41.12 C ATOM 1276 CD GLU A 79 -4.089 -2.158 14.599 1.00 44.21 C ATOM 1277 OE1 GLU A 79 -4.723 -3.158 14.195 1.00 2.34 O ATOM 1278 OE2 GLU A 79 -3.709 -2.045 15.791 1.00 14.50 O ATOM 0 H GLU A 79 -1.206 0.547 13.060 1.00 45.04 H new ATOM 0 HA GLU A 79 -1.455 -2.154 14.074 1.00 4.54 H new ATOM 0 HB2 GLU A 79 -2.736 -0.368 11.935 1.00 40.13 H new ATOM 0 HB3 GLU A 79 -3.094 -2.082 11.988 1.00 40.13 H new ATOM 0 HG2 GLU A 79 -3.597 -0.095 14.241 1.00 41.12 H new ATOM 0 HG3 GLU A 79 -4.814 -0.738 13.156 1.00 41.12 H new ATOM 1285 N PRO A 80 -0.780 -3.500 11.891 1.00 14.33 N ATOM 1286 CA PRO A 80 -0.214 -4.224 10.763 1.00 1.43 C ATOM 1287 C PRO A 80 -0.769 -3.701 9.429 1.00 22.22 C ATOM 1288 O PRO A 80 -1.988 -3.702 9.219 1.00 54.23 O ATOM 1289 CB PRO A 80 -0.573 -5.687 11.027 1.00 71.32 C ATOM 1290 CG PRO A 80 -1.883 -5.608 11.806 1.00 1.44 C ATOM 1291 CD PRO A 80 -1.635 -4.386 12.679 1.00 45.54 C ATOM 0 HA PRO A 80 0.865 -4.094 10.676 1.00 1.43 H new ATOM 0 HB2 PRO A 80 -0.694 -6.243 10.097 1.00 71.32 H new ATOM 0 HB3 PRO A 80 0.204 -6.192 11.601 1.00 71.32 H new ATOM 0 HG2 PRO A 80 -2.744 -5.478 11.151 1.00 1.44 H new ATOM 0 HG3 PRO A 80 -2.065 -6.506 12.397 1.00 1.44 H new ATOM 0 HD2 PRO A 80 -2.573 -3.895 12.939 1.00 45.54 H new ATOM 0 HD3 PRO A 80 -1.151 -4.666 13.615 1.00 45.54 H new ATOM 1299 N LEU A 81 0.112 -3.298 8.505 1.00 63.32 N ATOM 1300 CA LEU A 81 -0.264 -2.831 7.169 1.00 20.13 C ATOM 1301 C LEU A 81 0.226 -3.826 6.111 1.00 65.41 C ATOM 1302 O LEU A 81 1.155 -4.609 6.341 1.00 52.41 O ATOM 1303 CB LEU A 81 0.284 -1.415 6.861 1.00 30.34 C ATOM 1304 CG LEU A 81 0.461 -0.441 8.054 1.00 2.34 C ATOM 1305 CD1 LEU A 81 1.276 0.771 7.596 1.00 43.23 C ATOM 1306 CD2 LEU A 81 -0.862 0.037 8.665 1.00 63.25 C ATOM 0 H LEU A 81 1.119 -3.288 8.669 1.00 63.32 H new ATOM 0 HA LEU A 81 -1.352 -2.768 7.142 1.00 20.13 H new ATOM 0 HB2 LEU A 81 1.252 -1.528 6.372 1.00 30.34 H new ATOM 0 HB3 LEU A 81 -0.384 -0.945 6.140 1.00 30.34 H new ATOM 0 HG LEU A 81 0.979 -0.995 8.836 1.00 2.34 H new ATOM 0 HD11 LEU A 81 1.404 1.460 8.431 1.00 43.23 H new ATOM 0 HD12 LEU A 81 2.254 0.441 7.245 1.00 43.23 H new ATOM 0 HD13 LEU A 81 0.752 1.277 6.785 1.00 43.23 H new ATOM 0 HD21 LEU A 81 -0.656 0.715 9.494 1.00 63.25 H new ATOM 0 HD22 LEU A 81 -1.446 0.558 7.906 1.00 63.25 H new ATOM 0 HD23 LEU A 81 -1.425 -0.822 9.030 1.00 63.25 H new ATOM 1318 N VAL A 82 -0.350 -3.756 4.914 1.00 22.50 N ATOM 1319 CA VAL A 82 0.083 -4.486 3.730 1.00 34.20 C ATOM 1320 C VAL A 82 -0.146 -3.555 2.528 1.00 21.24 C ATOM 1321 O VAL A 82 -1.266 -3.093 2.322 1.00 74.42 O ATOM 1322 CB VAL A 82 -0.652 -5.854 3.662 1.00 63.15 C ATOM 1323 CG1 VAL A 82 -2.188 -5.763 3.636 1.00 62.15 C ATOM 1324 CG2 VAL A 82 -0.185 -6.649 2.446 1.00 64.32 C ATOM 0 H VAL A 82 -1.163 -3.166 4.737 1.00 22.50 H new ATOM 0 HA VAL A 82 1.141 -4.747 3.745 1.00 34.20 H new ATOM 0 HB VAL A 82 -0.387 -6.359 4.591 1.00 63.15 H new ATOM 0 HG11 VAL A 82 -2.611 -6.766 3.588 1.00 62.15 H new ATOM 0 HG12 VAL A 82 -2.538 -5.264 4.540 1.00 62.15 H new ATOM 0 HG13 VAL A 82 -2.504 -5.194 2.762 1.00 62.15 H new ATOM 0 HG21 VAL A 82 -0.709 -7.604 2.413 1.00 64.32 H new ATOM 0 HG22 VAL A 82 -0.400 -6.085 1.538 1.00 64.32 H new ATOM 0 HG23 VAL A 82 0.888 -6.826 2.517 1.00 64.32 H new ATOM 1334 N THR A 83 0.890 -3.208 1.758 1.00 51.32 N ATOM 1335 CA THR A 83 0.725 -2.363 0.573 1.00 72.12 C ATOM 1336 C THR A 83 1.909 -2.526 -0.384 1.00 72.01 C ATOM 1337 O THR A 83 2.940 -3.093 -0.037 1.00 53.14 O ATOM 1338 CB THR A 83 0.483 -0.894 0.988 1.00 75.21 C ATOM 1339 OG1 THR A 83 0.107 -0.121 -0.137 1.00 42.14 O ATOM 1340 CG2 THR A 83 1.656 -0.206 1.685 1.00 51.13 C ATOM 0 H THR A 83 1.851 -3.500 1.935 1.00 51.32 H new ATOM 0 HA THR A 83 -0.159 -2.687 0.024 1.00 72.12 H new ATOM 0 HB THR A 83 -0.317 -0.950 1.726 1.00 75.21 H new ATOM 0 HG1 THR A 83 -0.865 0.006 -0.137 1.00 42.14 H new ATOM 0 HG21 THR A 83 1.381 0.819 1.933 1.00 51.13 H new ATOM 0 HG22 THR A 83 1.904 -0.746 2.598 1.00 51.13 H new ATOM 0 HG23 THR A 83 2.521 -0.199 1.021 1.00 51.13 H new ATOM 1348 N MET A 84 1.784 -2.000 -1.600 1.00 33.23 N ATOM 1349 CA MET A 84 2.877 -1.872 -2.556 1.00 41.43 C ATOM 1350 C MET A 84 3.823 -0.755 -2.044 1.00 21.11 C ATOM 1351 O MET A 84 3.420 0.025 -1.175 1.00 4.20 O ATOM 1352 CB MET A 84 2.332 -1.486 -3.946 1.00 40.42 C ATOM 1353 CG MET A 84 0.971 -2.074 -4.316 1.00 11.24 C ATOM 1354 SD MET A 84 -0.411 -1.083 -3.663 1.00 14.01 S ATOM 1355 CE MET A 84 -1.714 -2.329 -3.577 1.00 13.33 C ATOM 0 H MET A 84 0.897 -1.643 -1.955 1.00 33.23 H new ATOM 0 HA MET A 84 3.407 -2.820 -2.647 1.00 41.43 H new ATOM 0 HB2 MET A 84 2.263 -0.399 -3.999 1.00 40.42 H new ATOM 0 HB3 MET A 84 3.057 -1.797 -4.698 1.00 40.42 H new ATOM 0 HG2 MET A 84 0.888 -2.138 -5.401 1.00 11.24 H new ATOM 0 HG3 MET A 84 0.900 -3.091 -3.930 1.00 11.24 H new ATOM 0 HE1 MET A 84 -2.678 -1.861 -3.775 1.00 13.33 H new ATOM 0 HE2 MET A 84 -1.526 -3.103 -4.321 1.00 13.33 H new ATOM 0 HE3 MET A 84 -1.725 -2.776 -2.583 1.00 13.33 H new ATOM 1365 N PRO A 85 5.054 -0.591 -2.554 1.00 11.34 N ATOM 1366 CA PRO A 85 5.877 0.560 -2.193 1.00 42.30 C ATOM 1367 C PRO A 85 5.181 1.854 -2.645 1.00 44.14 C ATOM 1368 O PRO A 85 4.922 2.020 -3.834 1.00 31.13 O ATOM 1369 CB PRO A 85 7.231 0.342 -2.866 1.00 4.42 C ATOM 1370 CG PRO A 85 7.029 -0.783 -3.884 1.00 15.01 C ATOM 1371 CD PRO A 85 5.598 -1.280 -3.707 1.00 13.52 C ATOM 0 HA PRO A 85 6.020 0.658 -1.117 1.00 42.30 H new ATOM 0 HB2 PRO A 85 7.573 1.253 -3.357 1.00 4.42 H new ATOM 0 HB3 PRO A 85 7.990 0.071 -2.133 1.00 4.42 H new ATOM 0 HG2 PRO A 85 7.190 -0.420 -4.899 1.00 15.01 H new ATOM 0 HG3 PRO A 85 7.743 -1.590 -3.717 1.00 15.01 H new ATOM 0 HD2 PRO A 85 5.004 -1.072 -4.597 1.00 13.52 H new ATOM 0 HD3 PRO A 85 5.580 -2.359 -3.556 1.00 13.52 H new ATOM 1379 N ILE A 86 4.817 2.741 -1.711 1.00 44.03 N ATOM 1380 CA ILE A 86 3.982 3.918 -1.979 1.00 53.05 C ATOM 1381 C ILE A 86 4.661 4.806 -3.025 1.00 34.33 C ATOM 1382 O ILE A 86 4.210 4.902 -4.168 1.00 2.22 O ATOM 1383 CB ILE A 86 3.637 4.672 -0.667 1.00 15.13 C ATOM 1384 CG1 ILE A 86 2.796 3.771 0.267 1.00 61.12 C ATOM 1385 CG2 ILE A 86 2.908 5.991 -0.979 1.00 54.44 C ATOM 1386 CD1 ILE A 86 2.533 4.311 1.679 1.00 73.12 C ATOM 0 H ILE A 86 5.098 2.660 -0.734 1.00 44.03 H new ATOM 0 HA ILE A 86 3.027 3.599 -2.396 1.00 53.05 H new ATOM 0 HB ILE A 86 4.564 4.918 -0.149 1.00 15.13 H new ATOM 0 HG12 ILE A 86 1.835 3.585 -0.212 1.00 61.12 H new ATOM 0 HG13 ILE A 86 3.299 2.808 0.357 1.00 61.12 H new ATOM 0 HG21 ILE A 86 2.674 6.506 -0.048 1.00 54.44 H new ATOM 0 HG22 ILE A 86 3.548 6.624 -1.593 1.00 54.44 H new ATOM 0 HG23 ILE A 86 1.985 5.778 -1.518 1.00 54.44 H new ATOM 0 HD11 ILE A 86 1.934 3.592 2.238 1.00 73.12 H new ATOM 0 HD12 ILE A 86 3.482 4.469 2.191 1.00 73.12 H new ATOM 0 HD13 ILE A 86 1.995 5.257 1.613 1.00 73.12 H new ATOM 1398 N GLY A 87 5.744 5.476 -2.635 1.00 73.11 N ATOM 1399 CA GLY A 87 6.457 6.361 -3.530 1.00 52.24 C ATOM 1400 C GLY A 87 7.218 5.512 -4.540 1.00 62.34 C ATOM 1401 O GLY A 87 8.340 5.110 -4.275 1.00 41.24 O ATOM 0 H GLY A 87 6.142 5.416 -1.698 1.00 73.11 H new ATOM 0 HA2 GLY A 87 5.760 7.025 -4.041 1.00 52.24 H new ATOM 0 HA3 GLY A 87 7.146 6.993 -2.969 1.00 52.24 H new ATOM 1405 N TYR A 88 6.588 5.222 -5.674 1.00 24.32 N ATOM 1406 CA TYR A 88 7.167 4.738 -6.933 1.00 34.33 C ATOM 1407 C TYR A 88 6.313 5.267 -8.095 1.00 44.51 C ATOM 1408 O TYR A 88 6.822 5.602 -9.163 1.00 41.12 O ATOM 1409 CB TYR A 88 7.263 3.198 -6.929 1.00 61.22 C ATOM 1410 CG TYR A 88 8.003 2.590 -8.118 1.00 11.41 C ATOM 1411 CD1 TYR A 88 7.308 2.295 -9.304 1.00 54.45 C ATOM 1412 CD2 TYR A 88 9.386 2.323 -8.055 1.00 43.31 C ATOM 1413 CE1 TYR A 88 7.977 1.782 -10.427 1.00 1.22 C ATOM 1414 CE2 TYR A 88 10.066 1.797 -9.171 1.00 54.01 C ATOM 1415 CZ TYR A 88 9.365 1.545 -10.369 1.00 23.01 C ATOM 1416 OH TYR A 88 10.030 1.083 -11.461 1.00 30.12 O ATOM 0 H TYR A 88 5.576 5.326 -5.747 1.00 24.32 H new ATOM 0 HA TYR A 88 8.185 5.109 -7.052 1.00 34.33 H new ATOM 0 HB2 TYR A 88 7.761 2.883 -6.012 1.00 61.22 H new ATOM 0 HB3 TYR A 88 6.254 2.787 -6.901 1.00 61.22 H new ATOM 0 HD1 TYR A 88 6.243 2.466 -9.352 1.00 54.45 H new ATOM 0 HD2 TYR A 88 9.929 2.524 -7.143 1.00 43.31 H new ATOM 0 HE1 TYR A 88 7.429 1.570 -11.333 1.00 1.22 H new ATOM 0 HE2 TYR A 88 11.124 1.587 -9.109 1.00 54.01 H new ATOM 0 HH TYR A 88 10.980 0.977 -11.245 1.00 30.12 H new ATOM 1426 N VAL A 89 5.017 5.454 -7.840 1.00 2.45 N ATOM 1427 CA VAL A 89 4.005 5.817 -8.823 1.00 40.10 C ATOM 1428 C VAL A 89 3.333 7.130 -8.415 1.00 2.54 C ATOM 1429 O VAL A 89 3.531 8.130 -9.099 1.00 20.43 O ATOM 1430 CB VAL A 89 3.010 4.654 -9.034 1.00 32.22 C ATOM 1431 CG1 VAL A 89 2.014 4.982 -10.147 1.00 43.33 C ATOM 1432 CG2 VAL A 89 3.726 3.354 -9.410 1.00 45.11 C ATOM 0 H VAL A 89 4.631 5.351 -6.901 1.00 2.45 H new ATOM 0 HA VAL A 89 4.473 5.990 -9.792 1.00 40.10 H new ATOM 0 HB VAL A 89 2.489 4.520 -8.086 1.00 32.22 H new ATOM 0 HG11 VAL A 89 1.325 4.148 -10.276 1.00 43.33 H new ATOM 0 HG12 VAL A 89 1.453 5.878 -9.881 1.00 43.33 H new ATOM 0 HG13 VAL A 89 2.553 5.154 -11.079 1.00 43.33 H new ATOM 0 HG21 VAL A 89 2.991 2.561 -9.549 1.00 45.11 H new ATOM 0 HG22 VAL A 89 4.283 3.500 -10.336 1.00 45.11 H new ATOM 0 HG23 VAL A 89 4.415 3.074 -8.613 1.00 45.11 H new ATOM 1442 N THR A 90 2.600 7.166 -7.293 1.00 64.14 N ATOM 1443 CA THR A 90 1.809 8.323 -6.851 1.00 53.10 C ATOM 1444 C THR A 90 2.590 9.635 -6.707 1.00 34.31 C ATOM 1445 O THR A 90 1.954 10.689 -6.604 1.00 25.11 O ATOM 1446 CB THR A 90 1.104 7.987 -5.522 1.00 71.21 C ATOM 1447 OG1 THR A 90 0.335 9.073 -5.036 1.00 2.15 O ATOM 1448 CG2 THR A 90 2.093 7.556 -4.432 1.00 64.40 C ATOM 0 H THR A 90 2.539 6.374 -6.653 1.00 64.14 H new ATOM 0 HA THR A 90 1.090 8.506 -7.650 1.00 53.10 H new ATOM 0 HB THR A 90 0.441 7.153 -5.749 1.00 71.21 H new ATOM 0 HG1 THR A 90 0.706 9.914 -5.375 1.00 2.15 H new ATOM 0 HG21 THR A 90 1.548 7.330 -3.515 1.00 64.40 H new ATOM 0 HG22 THR A 90 2.633 6.668 -4.761 1.00 64.40 H new ATOM 0 HG23 THR A 90 2.801 8.363 -4.244 1.00 64.40 H new ATOM 1456 N HIS A 91 3.919 9.572 -6.640 1.00 35.23 N ATOM 1457 CA HIS A 91 4.796 10.715 -6.676 1.00 32.20 C ATOM 1458 C HIS A 91 5.582 10.499 -7.961 1.00 70.21 C ATOM 1459 O HIS A 91 5.236 11.070 -8.994 1.00 73.54 O ATOM 1460 CB HIS A 91 5.612 10.744 -5.376 1.00 32.10 C ATOM 1461 CG HIS A 91 6.476 11.971 -5.205 1.00 21.23 C ATOM 1462 ND1 HIS A 91 7.265 12.586 -6.155 1.00 33.14 N ATOM 1463 CD2 HIS A 91 6.588 12.700 -4.053 1.00 31.41 C ATOM 1464 CE1 HIS A 91 7.845 13.651 -5.584 1.00 44.15 C ATOM 1465 NE2 HIS A 91 7.454 13.774 -4.302 1.00 35.21 N ATOM 0 H HIS A 91 4.421 8.688 -6.556 1.00 35.23 H new ATOM 0 HA HIS A 91 4.325 11.697 -6.705 1.00 32.20 H new ATOM 0 HB2 HIS A 91 4.927 10.677 -4.531 1.00 32.10 H new ATOM 0 HB3 HIS A 91 6.248 9.860 -5.342 1.00 32.10 H new ATOM 0 HD2 HIS A 91 6.096 12.486 -3.116 1.00 31.41 H new ATOM 0 HE1 HIS A 91 8.531 14.318 -6.084 1.00 44.15 H new ATOM 0 HE2 HIS A 91 7.732 14.502 -3.644 1.00 35.21 H new ATOM 1473 N GLY A 92 6.549 9.581 -7.922 1.00 73.31 N ATOM 1474 CA GLY A 92 7.250 9.061 -9.080 1.00 22.13 C ATOM 1475 C GLY A 92 8.689 8.828 -8.683 1.00 1.01 C ATOM 1476 O GLY A 92 9.511 9.725 -8.873 1.00 24.21 O ATOM 0 H GLY A 92 6.872 9.169 -7.047 1.00 73.31 H new ATOM 0 HA2 GLY A 92 6.792 8.132 -9.418 1.00 22.13 H new ATOM 0 HA3 GLY A 92 7.192 9.765 -9.910 1.00 22.13 H new ATOM 1480 N PHE A 93 8.960 7.687 -8.049 1.00 75.43 N ATOM 1481 CA PHE A 93 10.312 7.363 -7.586 1.00 1.32 C ATOM 1482 C PHE A 93 10.854 6.122 -8.287 1.00 41.21 C ATOM 1483 O PHE A 93 10.090 5.254 -8.697 1.00 22.01 O ATOM 1484 CB PHE A 93 10.312 7.172 -6.070 1.00 50.04 C ATOM 1485 CG PHE A 93 10.028 8.414 -5.249 1.00 11.42 C ATOM 1486 CD1 PHE A 93 10.376 9.697 -5.714 1.00 33.51 C ATOM 1487 CD2 PHE A 93 9.420 8.286 -3.989 1.00 54.14 C ATOM 1488 CE1 PHE A 93 10.045 10.830 -4.969 1.00 41.43 C ATOM 1489 CE2 PHE A 93 9.072 9.426 -3.246 1.00 0.15 C ATOM 1490 CZ PHE A 93 9.378 10.705 -3.739 1.00 32.21 C ATOM 0 H PHE A 93 8.263 6.971 -7.844 1.00 75.43 H new ATOM 0 HA PHE A 93 10.970 8.195 -7.837 1.00 1.32 H new ATOM 0 HB2 PHE A 93 9.569 6.415 -5.818 1.00 50.04 H new ATOM 0 HB3 PHE A 93 11.283 6.777 -5.772 1.00 50.04 H new ATOM 0 HD1 PHE A 93 10.901 9.805 -6.651 1.00 33.51 H new ATOM 0 HD2 PHE A 93 9.219 7.303 -3.589 1.00 54.14 H new ATOM 0 HE1 PHE A 93 10.304 11.810 -5.341 1.00 41.43 H new ATOM 0 HE2 PHE A 93 8.569 9.319 -2.296 1.00 0.15 H new ATOM 0 HZ PHE A 93 9.103 11.585 -3.177 1.00 32.21 H new ATOM 1500 N ASN A 94 12.184 6.017 -8.377 1.00 35.30 N ATOM 1501 CA ASN A 94 12.858 4.792 -8.807 1.00 45.22 C ATOM 1502 C ASN A 94 12.900 3.802 -7.639 1.00 60.40 C ATOM 1503 O ASN A 94 12.599 4.166 -6.501 1.00 41.55 O ATOM 1504 CB ASN A 94 14.280 5.103 -9.314 1.00 64.53 C ATOM 1505 CG ASN A 94 14.292 5.960 -10.578 1.00 2.31 C ATOM 1506 OD1 ASN A 94 14.775 7.087 -10.576 1.00 4.51 O ATOM 1507 ND2 ASN A 94 13.752 5.462 -11.682 1.00 34.33 N ATOM 0 H ASN A 94 12.822 6.781 -8.153 1.00 35.30 H new ATOM 0 HA ASN A 94 12.303 4.346 -9.632 1.00 45.22 H new ATOM 0 HB2 ASN A 94 14.835 5.617 -8.529 1.00 64.53 H new ATOM 0 HB3 ASN A 94 14.801 4.167 -9.512 1.00 64.53 H new ATOM 0 HD21 ASN A 94 13.736 6.017 -12.537 1.00 34.33 H new ATOM 0 HD22 ASN A 94 13.352 4.524 -11.676 1.00 34.33 H new ATOM 1514 N LEU A 95 13.315 2.556 -7.895 1.00 62.21 N ATOM 1515 CA LEU A 95 13.213 1.433 -6.957 1.00 54.42 C ATOM 1516 C LEU A 95 13.960 1.667 -5.639 1.00 11.42 C ATOM 1517 O LEU A 95 13.605 1.078 -4.620 1.00 31.32 O ATOM 1518 CB LEU A 95 13.757 0.146 -7.619 1.00 45.34 C ATOM 1519 CG LEU A 95 12.987 -1.117 -7.196 1.00 64.14 C ATOM 1520 CD1 LEU A 95 11.711 -1.277 -8.027 1.00 53.44 C ATOM 1521 CD2 LEU A 95 13.825 -2.390 -7.350 1.00 34.44 C ATOM 0 H LEU A 95 13.742 2.294 -8.784 1.00 62.21 H new ATOM 0 HA LEU A 95 12.155 1.333 -6.715 1.00 54.42 H new ATOM 0 HB2 LEU A 95 13.705 0.251 -8.703 1.00 45.34 H new ATOM 0 HB3 LEU A 95 14.809 0.027 -7.360 1.00 45.34 H new ATOM 0 HG LEU A 95 12.741 -0.985 -6.142 1.00 64.14 H new ATOM 0 HD11 LEU A 95 11.182 -2.176 -7.712 1.00 53.44 H new ATOM 0 HD12 LEU A 95 11.070 -0.408 -7.880 1.00 53.44 H new ATOM 0 HD13 LEU A 95 11.972 -1.361 -9.082 1.00 53.44 H new ATOM 0 HD21 LEU A 95 13.236 -3.253 -7.039 1.00 34.44 H new ATOM 0 HD22 LEU A 95 14.119 -2.508 -8.393 1.00 34.44 H new ATOM 0 HD23 LEU A 95 14.717 -2.316 -6.728 1.00 34.44 H new ATOM 1533 N GLU A 96 15.002 2.496 -5.677 1.00 23.23 N ATOM 1534 CA GLU A 96 15.913 2.774 -4.576 1.00 71.13 C ATOM 1535 C GLU A 96 15.288 3.818 -3.656 1.00 31.21 C ATOM 1536 O GLU A 96 15.179 3.639 -2.448 1.00 3.32 O ATOM 1537 CB GLU A 96 17.191 3.288 -5.239 1.00 54.11 C ATOM 1538 CG GLU A 96 18.344 3.652 -4.304 1.00 20.05 C ATOM 1539 CD GLU A 96 19.660 3.803 -5.081 1.00 43.44 C ATOM 1540 OE1 GLU A 96 19.638 4.017 -6.320 1.00 74.52 O ATOM 1541 OE2 GLU A 96 20.728 3.698 -4.441 1.00 35.11 O ATOM 0 H GLU A 96 15.243 3.016 -6.521 1.00 23.23 H new ATOM 0 HA GLU A 96 16.123 1.901 -3.958 1.00 71.13 H new ATOM 0 HB2 GLU A 96 17.544 2.528 -5.936 1.00 54.11 H new ATOM 0 HB3 GLU A 96 16.939 4.169 -5.829 1.00 54.11 H new ATOM 0 HG2 GLU A 96 18.116 4.583 -3.785 1.00 20.05 H new ATOM 0 HG3 GLU A 96 18.455 2.881 -3.541 1.00 20.05 H new ATOM 1548 N GLU A 97 14.792 4.892 -4.254 1.00 62.43 N ATOM 1549 CA GLU A 97 14.065 5.950 -3.582 1.00 55.20 C ATOM 1550 C GLU A 97 12.782 5.377 -2.971 1.00 14.21 C ATOM 1551 O GLU A 97 12.457 5.662 -1.820 1.00 24.45 O ATOM 1552 CB GLU A 97 13.804 7.041 -4.626 1.00 72.22 C ATOM 1553 CG GLU A 97 15.104 7.741 -5.034 1.00 73.54 C ATOM 1554 CD GLU A 97 15.611 8.663 -3.925 1.00 43.54 C ATOM 1555 OE1 GLU A 97 15.084 9.790 -3.771 1.00 14.32 O ATOM 1556 OE2 GLU A 97 16.520 8.251 -3.168 1.00 71.52 O ATOM 0 H GLU A 97 14.890 5.053 -5.256 1.00 62.43 H new ATOM 0 HA GLU A 97 14.626 6.385 -2.755 1.00 55.20 H new ATOM 0 HB2 GLU A 97 13.333 6.601 -5.505 1.00 72.22 H new ATOM 0 HB3 GLU A 97 13.105 7.774 -4.223 1.00 72.22 H new ATOM 0 HG2 GLU A 97 15.864 6.995 -5.265 1.00 73.54 H new ATOM 0 HG3 GLU A 97 14.938 8.319 -5.943 1.00 73.54 H new ATOM 1563 N ALA A 98 12.100 4.484 -3.692 1.00 43.42 N ATOM 1564 CA ALA A 98 10.949 3.743 -3.200 1.00 31.33 C ATOM 1565 C ALA A 98 11.266 2.860 -1.986 1.00 51.54 C ATOM 1566 O ALA A 98 10.380 2.608 -1.166 1.00 41.51 O ATOM 1567 CB ALA A 98 10.399 2.879 -4.337 1.00 43.44 C ATOM 0 H ALA A 98 12.343 4.255 -4.656 1.00 43.42 H new ATOM 0 HA ALA A 98 10.211 4.472 -2.865 1.00 31.33 H new ATOM 0 HB1 ALA A 98 9.535 2.317 -3.982 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.100 3.518 -5.168 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.170 2.185 -4.672 1.00 43.44 H new ATOM 1573 N ALA A 99 12.493 2.352 -1.862 1.00 14.23 N ATOM 1574 CA ALA A 99 12.955 1.682 -0.653 1.00 4.40 C ATOM 1575 C ALA A 99 13.151 2.704 0.464 1.00 75.13 C ATOM 1576 O ALA A 99 12.609 2.529 1.557 1.00 42.33 O ATOM 1577 CB ALA A 99 14.236 0.894 -0.949 1.00 3.03 C ATOM 0 H ALA A 99 13.194 2.396 -2.602 1.00 14.23 H new ATOM 0 HA ALA A 99 12.204 0.968 -0.315 1.00 4.40 H new ATOM 0 HB1 ALA A 99 14.575 0.396 -0.041 1.00 3.03 H new ATOM 0 HB2 ALA A 99 14.035 0.148 -1.718 1.00 3.03 H new ATOM 0 HB3 ALA A 99 15.010 1.577 -1.299 1.00 3.03 H new ATOM 1583 N ARG A 100 13.877 3.785 0.176 1.00 11.12 N ATOM 1584 CA ARG A 100 14.262 4.807 1.147 1.00 52.40 C ATOM 1585 C ARG A 100 13.032 5.463 1.760 1.00 50.21 C ATOM 1586 O ARG A 100 13.057 5.810 2.941 1.00 51.14 O ATOM 1587 CB ARG A 100 15.164 5.851 0.467 1.00 44.11 C ATOM 1588 CG ARG A 100 16.574 5.306 0.183 1.00 61.02 C ATOM 1589 CD ARG A 100 17.334 6.233 -0.774 1.00 63.31 C ATOM 1590 NE ARG A 100 18.792 6.037 -0.698 1.00 61.10 N ATOM 1591 CZ ARG A 100 19.625 6.618 0.174 1.00 72.20 C ATOM 1592 NH1 ARG A 100 19.166 7.425 1.126 1.00 74.05 N ATOM 1593 NH2 ARG A 100 20.924 6.369 0.087 1.00 32.41 N ATOM 0 H ARG A 100 14.222 3.978 -0.764 1.00 11.12 H new ATOM 0 HA ARG A 100 14.819 4.335 1.956 1.00 52.40 H new ATOM 0 HB2 ARG A 100 14.705 6.171 -0.469 1.00 44.11 H new ATOM 0 HB3 ARG A 100 15.239 6.733 1.103 1.00 44.11 H new ATOM 0 HG2 ARG A 100 17.126 5.209 1.118 1.00 61.02 H new ATOM 0 HG3 ARG A 100 16.503 4.308 -0.250 1.00 61.02 H new ATOM 0 HD2 ARG A 100 16.998 6.053 -1.795 1.00 63.31 H new ATOM 0 HD3 ARG A 100 17.096 7.270 -0.538 1.00 63.31 H new ATOM 0 HE ARG A 100 19.207 5.397 -1.375 1.00 61.10 H new ATOM 0 HH11 ARG A 100 18.165 7.609 1.200 1.00 74.05 H new ATOM 0 HH12 ARG A 100 19.814 7.860 1.782 1.00 74.05 H new ATOM 0 HH21 ARG A 100 21.276 5.742 -0.637 1.00 32.41 H new ATOM 0 HH22 ARG A 100 21.572 6.804 0.744 1.00 32.41 H new ATOM 1607 N CYS A 101 11.961 5.616 0.986 1.00 53.02 N ATOM 1608 CA CYS A 101 10.655 6.074 1.431 1.00 24.23 C ATOM 1609 C CYS A 101 10.074 5.128 2.481 1.00 71.35 C ATOM 1610 O CYS A 101 9.896 5.515 3.634 1.00 63.10 O ATOM 1611 CB CYS A 101 9.741 6.193 0.209 1.00 44.32 C ATOM 1612 SG CYS A 101 10.272 7.625 -0.747 1.00 73.21 S ATOM 0 H CYS A 101 11.985 5.414 -0.014 1.00 53.02 H new ATOM 0 HA CYS A 101 10.745 7.050 1.907 1.00 24.23 H new ATOM 0 HB2 CYS A 101 9.796 5.289 -0.397 1.00 44.32 H new ATOM 0 HB3 CYS A 101 8.702 6.306 0.520 1.00 44.32 H new ATOM 0 HG CYS A 101 9.496 7.769 -1.780 1.00 73.21 H new ATOM 1618 N MET A 102 9.781 3.884 2.095 1.00 63.24 N ATOM 1619 CA MET A 102 9.094 2.921 2.961 1.00 1.22 C ATOM 1620 C MET A 102 9.893 2.650 4.243 1.00 4.50 C ATOM 1621 O MET A 102 9.310 2.486 5.316 1.00 41.25 O ATOM 1622 CB MET A 102 8.843 1.630 2.166 1.00 24.01 C ATOM 1623 CG MET A 102 7.902 1.844 0.967 1.00 13.43 C ATOM 1624 SD MET A 102 6.223 2.433 1.322 1.00 23.23 S ATOM 1625 CE MET A 102 5.427 0.868 1.766 1.00 31.11 C ATOM 0 H MET A 102 10.013 3.515 1.173 1.00 63.24 H new ATOM 0 HA MET A 102 8.138 3.338 3.277 1.00 1.22 H new ATOM 0 HB2 MET A 102 9.795 1.237 1.810 1.00 24.01 H new ATOM 0 HB3 MET A 102 8.415 0.878 2.829 1.00 24.01 H new ATOM 0 HG2 MET A 102 8.374 2.557 0.291 1.00 13.43 H new ATOM 0 HG3 MET A 102 7.821 0.900 0.429 1.00 13.43 H new ATOM 0 HE1 MET A 102 4.678 1.047 2.537 1.00 31.11 H new ATOM 0 HE2 MET A 102 4.947 0.442 0.885 1.00 31.11 H new ATOM 0 HE3 MET A 102 6.177 0.172 2.143 1.00 31.11 H new ATOM 1635 N ARG A 103 11.224 2.673 4.156 1.00 45.12 N ATOM 1636 CA ARG A 103 12.158 2.454 5.256 1.00 4.22 C ATOM 1637 C ARG A 103 12.142 3.578 6.314 1.00 1.11 C ATOM 1638 O ARG A 103 12.750 3.418 7.378 1.00 24.02 O ATOM 1639 CB ARG A 103 13.524 2.190 4.589 1.00 20.20 C ATOM 1640 CG ARG A 103 14.705 1.903 5.519 1.00 5.05 C ATOM 1641 CD ARG A 103 15.486 3.194 5.769 1.00 3.12 C ATOM 1642 NE ARG A 103 16.648 2.983 6.634 1.00 62.24 N ATOM 1643 CZ ARG A 103 16.691 3.232 7.942 1.00 74.14 C ATOM 1644 NH1 ARG A 103 15.577 3.510 8.622 1.00 31.32 N ATOM 1645 NH2 ARG A 103 17.865 3.177 8.549 1.00 34.25 N ATOM 0 H ARG A 103 11.701 2.854 3.273 1.00 45.12 H new ATOM 0 HA ARG A 103 11.873 1.595 5.864 1.00 4.22 H new ATOM 0 HB2 ARG A 103 13.413 1.344 3.911 1.00 20.20 H new ATOM 0 HB3 ARG A 103 13.776 3.057 3.978 1.00 20.20 H new ATOM 0 HG2 ARG A 103 14.346 1.494 6.464 1.00 5.05 H new ATOM 0 HG3 ARG A 103 15.357 1.152 5.074 1.00 5.05 H new ATOM 0 HD2 ARG A 103 15.816 3.607 4.816 1.00 3.12 H new ATOM 0 HD3 ARG A 103 14.826 3.932 6.225 1.00 3.12 H new ATOM 0 HE ARG A 103 17.494 2.615 6.199 1.00 62.24 H new ATOM 0 HH11 ARG A 103 14.678 3.534 8.141 1.00 31.32 H new ATOM 0 HH12 ARG A 103 15.624 3.699 9.623 1.00 31.32 H new ATOM 0 HH21 ARG A 103 18.704 2.949 8.016 1.00 34.25 H new ATOM 0 HH22 ARG A 103 17.931 3.363 9.550 1.00 34.25 H new ATOM 1659 N SER A 104 11.467 4.709 6.086 1.00 52.02 N ATOM 1660 CA SER A 104 11.219 5.737 7.069 1.00 30.24 C ATOM 1661 C SER A 104 9.991 5.449 7.951 1.00 73.54 C ATOM 1662 O SER A 104 9.831 6.090 8.994 1.00 32.44 O ATOM 1663 CB SER A 104 10.985 7.010 6.268 1.00 52.12 C ATOM 1664 OG SER A 104 12.156 7.395 5.572 1.00 65.34 O ATOM 0 H SER A 104 11.069 4.930 5.173 1.00 52.02 H new ATOM 0 HA SER A 104 12.063 5.805 7.755 1.00 30.24 H new ATOM 0 HB2 SER A 104 10.172 6.853 5.559 1.00 52.12 H new ATOM 0 HB3 SER A 104 10.675 7.813 6.937 1.00 52.12 H new ATOM 0 HG SER A 104 12.284 6.808 4.798 1.00 65.34 H new ATOM 1670 N LEU A 105 9.098 4.539 7.540 1.00 72.30 N ATOM 1671 CA LEU A 105 7.865 4.216 8.261 1.00 71.24 C ATOM 1672 C LEU A 105 8.242 3.409 9.506 1.00 25.22 C ATOM 1673 O LEU A 105 9.115 2.543 9.432 1.00 63.10 O ATOM 1674 CB LEU A 105 6.912 3.474 7.295 1.00 72.13 C ATOM 1675 CG LEU A 105 5.398 3.669 7.538 1.00 4.25 C ATOM 1676 CD1 LEU A 105 4.592 3.264 6.310 1.00 11.43 C ATOM 1677 CD2 LEU A 105 4.807 2.877 8.678 1.00 32.43 C ATOM 0 H LEU A 105 9.216 3.999 6.683 1.00 72.30 H new ATOM 0 HA LEU A 105 7.332 5.103 8.604 1.00 71.24 H new ATOM 0 HB2 LEU A 105 7.139 3.795 6.278 1.00 72.13 H new ATOM 0 HB3 LEU A 105 7.132 2.408 7.350 1.00 72.13 H new ATOM 0 HG LEU A 105 5.330 4.730 7.778 1.00 4.25 H new ATOM 0 HD11 LEU A 105 3.530 3.411 6.507 1.00 11.43 H new ATOM 0 HD12 LEU A 105 4.891 3.877 5.460 1.00 11.43 H new ATOM 0 HD13 LEU A 105 4.777 2.214 6.083 1.00 11.43 H new ATOM 0 HD21 LEU A 105 3.741 3.092 8.756 1.00 32.43 H new ATOM 0 HD22 LEU A 105 4.950 1.812 8.494 1.00 32.43 H new ATOM 0 HD23 LEU A 105 5.302 3.154 9.609 1.00 32.43 H new ATOM 1689 N LYS A 106 7.655 3.728 10.664 1.00 32.21 N ATOM 1690 CA LYS A 106 7.945 3.035 11.921 1.00 42.24 C ATOM 1691 C LYS A 106 7.041 1.814 12.091 1.00 54.41 C ATOM 1692 O LYS A 106 7.546 0.750 12.461 1.00 0.32 O ATOM 1693 CB LYS A 106 7.838 3.987 13.125 1.00 61.01 C ATOM 1694 CG LYS A 106 8.861 5.136 13.041 1.00 43.44 C ATOM 1695 CD LYS A 106 9.305 5.616 14.430 1.00 41.40 C ATOM 1696 CE LYS A 106 10.437 6.651 14.324 1.00 34.12 C ATOM 1697 NZ LYS A 106 10.938 7.089 15.647 1.00 70.32 N ATOM 0 H LYS A 106 6.966 4.474 10.755 1.00 32.21 H new ATOM 0 HA LYS A 106 8.976 2.683 11.879 1.00 42.24 H new ATOM 0 HB2 LYS A 106 6.831 4.401 13.173 1.00 61.01 H new ATOM 0 HB3 LYS A 106 7.996 3.426 14.046 1.00 61.01 H new ATOM 0 HG2 LYS A 106 9.733 4.804 12.477 1.00 43.44 H new ATOM 0 HG3 LYS A 106 8.424 5.970 12.492 1.00 43.44 H new ATOM 0 HD2 LYS A 106 8.456 6.054 14.955 1.00 41.40 H new ATOM 0 HD3 LYS A 106 9.641 4.765 15.022 1.00 41.40 H new ATOM 0 HE2 LYS A 106 11.261 6.225 13.751 1.00 34.12 H new ATOM 0 HE3 LYS A 106 10.079 7.519 13.770 1.00 34.12 H new ATOM 0 HZ1 LYS A 106 11.699 7.786 15.517 1.00 70.32 H new ATOM 0 HZ2 LYS A 106 10.161 7.522 16.187 1.00 70.32 H new ATOM 0 HZ3 LYS A 106 11.306 6.268 16.168 1.00 70.32 H new ATOM 1711 N ALA A 107 5.737 1.963 11.824 1.00 70.24 N ATOM 1712 CA ALA A 107 4.768 0.866 11.836 1.00 73.25 C ATOM 1713 C ALA A 107 5.167 -0.206 10.801 1.00 72.44 C ATOM 1714 O ALA A 107 5.898 0.107 9.854 1.00 14.34 O ATOM 1715 CB ALA A 107 3.362 1.440 11.587 1.00 4.12 C ATOM 0 H ALA A 107 5.322 2.865 11.590 1.00 70.24 H new ATOM 0 HA ALA A 107 4.760 0.372 12.808 1.00 73.25 H new ATOM 0 HB1 ALA A 107 2.632 0.631 11.594 1.00 4.12 H new ATOM 0 HB2 ALA A 107 3.117 2.156 12.371 1.00 4.12 H new ATOM 0 HB3 ALA A 107 3.340 1.940 10.619 1.00 4.12 H new ATOM 1721 N PRO A 108 4.735 -1.468 10.950 1.00 20.54 N ATOM 1722 CA PRO A 108 5.139 -2.539 10.049 1.00 71.23 C ATOM 1723 C PRO A 108 4.332 -2.460 8.753 1.00 21.32 C ATOM 1724 O PRO A 108 3.162 -2.079 8.763 1.00 63.44 O ATOM 1725 CB PRO A 108 4.831 -3.834 10.799 1.00 13.45 C ATOM 1726 CG PRO A 108 3.599 -3.441 11.608 1.00 15.14 C ATOM 1727 CD PRO A 108 3.862 -1.989 11.991 1.00 14.22 C ATOM 0 HA PRO A 108 6.192 -2.476 9.775 1.00 71.23 H new ATOM 0 HB2 PRO A 108 4.627 -4.661 10.119 1.00 13.45 H new ATOM 0 HB3 PRO A 108 5.658 -4.143 11.438 1.00 13.45 H new ATOM 0 HG2 PRO A 108 2.686 -3.540 11.020 1.00 15.14 H new ATOM 0 HG3 PRO A 108 3.481 -4.072 12.489 1.00 15.14 H new ATOM 0 HD2 PRO A 108 2.933 -1.422 12.045 1.00 14.22 H new ATOM 0 HD3 PRO A 108 4.334 -1.920 12.971 1.00 14.22 H new ATOM 1735 N ALA A 109 4.923 -2.854 7.628 1.00 31.34 N ATOM 1736 CA ALA A 109 4.203 -2.984 6.376 1.00 4.04 C ATOM 1737 C ALA A 109 4.819 -4.131 5.588 1.00 12.50 C ATOM 1738 O ALA A 109 5.996 -4.078 5.228 1.00 23.14 O ATOM 1739 CB ALA A 109 4.238 -1.668 5.597 1.00 72.22 C ATOM 0 H ALA A 109 5.913 -3.090 7.564 1.00 31.34 H new ATOM 0 HA ALA A 109 3.152 -3.207 6.562 1.00 4.04 H new ATOM 0 HB1 ALA A 109 3.693 -1.785 4.660 1.00 72.22 H new ATOM 0 HB2 ALA A 109 3.774 -0.881 6.191 1.00 72.22 H new ATOM 0 HB3 ALA A 109 5.272 -1.399 5.383 1.00 72.22 H new ATOM 1745 N VAL A 110 4.034 -5.168 5.301 1.00 10.23 N ATOM 1746 CA VAL A 110 4.401 -6.116 4.257 1.00 51.12 C ATOM 1747 C VAL A 110 4.414 -5.308 2.951 1.00 5.45 C ATOM 1748 O VAL A 110 3.393 -4.710 2.601 1.00 54.15 O ATOM 1749 CB VAL A 110 3.399 -7.286 4.228 1.00 55.12 C ATOM 1750 CG1 VAL A 110 3.543 -8.144 2.963 1.00 2.41 C ATOM 1751 CG2 VAL A 110 3.647 -8.209 5.423 1.00 62.40 C ATOM 0 H VAL A 110 3.152 -5.370 5.771 1.00 10.23 H new ATOM 0 HA VAL A 110 5.377 -6.572 4.424 1.00 51.12 H new ATOM 0 HB VAL A 110 2.403 -6.844 4.255 1.00 55.12 H new ATOM 0 HG11 VAL A 110 2.816 -8.955 2.989 1.00 2.41 H new ATOM 0 HG12 VAL A 110 3.366 -7.526 2.082 1.00 2.41 H new ATOM 0 HG13 VAL A 110 4.549 -8.560 2.918 1.00 2.41 H new ATOM 0 HG21 VAL A 110 2.936 -9.035 5.398 1.00 62.40 H new ATOM 0 HG22 VAL A 110 4.662 -8.602 5.374 1.00 62.40 H new ATOM 0 HG23 VAL A 110 3.519 -7.648 6.349 1.00 62.40 H new ATOM 1761 N VAL A 111 5.555 -5.224 2.263 1.00 33.41 N ATOM 1762 CA VAL A 111 5.646 -4.648 0.920 1.00 65.42 C ATOM 1763 C VAL A 111 5.423 -5.781 -0.084 1.00 54.03 C ATOM 1764 O VAL A 111 5.759 -6.933 0.209 1.00 30.51 O ATOM 1765 CB VAL A 111 7.002 -3.918 0.747 1.00 23.51 C ATOM 1766 CG1 VAL A 111 7.207 -3.345 -0.666 1.00 40.25 C ATOM 1767 CG2 VAL A 111 7.125 -2.733 1.720 1.00 11.22 C ATOM 0 H VAL A 111 6.449 -5.557 2.625 1.00 33.41 H new ATOM 0 HA VAL A 111 4.882 -3.889 0.749 1.00 65.42 H new ATOM 0 HB VAL A 111 7.754 -4.682 0.945 1.00 23.51 H new ATOM 0 HG11 VAL A 111 8.175 -2.847 -0.720 1.00 40.25 H new ATOM 0 HG12 VAL A 111 7.174 -4.155 -1.395 1.00 40.25 H new ATOM 0 HG13 VAL A 111 6.417 -2.627 -0.886 1.00 40.25 H new ATOM 0 HG21 VAL A 111 8.087 -2.241 1.575 1.00 11.22 H new ATOM 0 HG22 VAL A 111 6.321 -2.022 1.530 1.00 11.22 H new ATOM 0 HG23 VAL A 111 7.054 -3.095 2.746 1.00 11.22 H new ATOM 1777 N SER A 112 4.920 -5.486 -1.289 1.00 44.52 N ATOM 1778 CA SER A 112 5.072 -6.433 -2.380 1.00 30.14 C ATOM 1779 C SER A 112 5.265 -5.759 -3.723 1.00 1.14 C ATOM 1780 O SER A 112 4.786 -4.645 -3.956 1.00 72.32 O ATOM 1781 CB SER A 112 3.930 -7.449 -2.368 1.00 13.43 C ATOM 1782 OG SER A 112 2.731 -7.020 -2.975 1.00 21.24 O ATOM 0 H SER A 112 4.422 -4.627 -1.521 1.00 44.52 H new ATOM 0 HA SER A 112 5.998 -6.985 -2.217 1.00 30.14 H new ATOM 0 HB2 SER A 112 4.268 -8.355 -2.871 1.00 13.43 H new ATOM 0 HB3 SER A 112 3.717 -7.719 -1.334 1.00 13.43 H new ATOM 0 HG SER A 112 2.014 -7.003 -2.307 1.00 21.24 H new ATOM 1788 N VAL A 113 5.951 -6.471 -4.609 1.00 73.40 N ATOM 1789 CA VAL A 113 6.285 -6.040 -5.953 1.00 40.33 C ATOM 1790 C VAL A 113 5.757 -7.042 -6.970 1.00 31.42 C ATOM 1791 O VAL A 113 5.377 -8.164 -6.621 1.00 44.10 O ATOM 1792 CB VAL A 113 7.801 -5.855 -6.090 1.00 1.40 C ATOM 1793 CG1 VAL A 113 8.268 -4.596 -5.345 1.00 12.23 C ATOM 1794 CG2 VAL A 113 8.618 -7.045 -5.576 1.00 62.23 C ATOM 0 H VAL A 113 6.303 -7.405 -4.397 1.00 73.40 H new ATOM 0 HA VAL A 113 5.811 -5.078 -6.148 1.00 40.33 H new ATOM 0 HB VAL A 113 7.979 -5.764 -7.161 1.00 1.40 H new ATOM 0 HG11 VAL A 113 9.347 -4.486 -5.457 1.00 12.23 H new ATOM 0 HG12 VAL A 113 7.769 -3.721 -5.761 1.00 12.23 H new ATOM 0 HG13 VAL A 113 8.020 -4.686 -4.287 1.00 12.23 H new ATOM 0 HG21 VAL A 113 9.681 -6.840 -5.706 1.00 62.23 H new ATOM 0 HG22 VAL A 113 8.406 -7.202 -4.519 1.00 62.23 H new ATOM 0 HG23 VAL A 113 8.350 -7.940 -6.137 1.00 62.23 H new ATOM 1804 N SER A 114 5.758 -6.654 -8.241 1.00 11.32 N ATOM 1805 CA SER A 114 5.094 -7.404 -9.287 1.00 75.05 C ATOM 1806 C SER A 114 6.019 -8.363 -10.042 1.00 25.40 C ATOM 1807 O SER A 114 5.531 -9.199 -10.807 1.00 30.54 O ATOM 1808 CB SER A 114 4.392 -6.436 -10.245 1.00 63.31 C ATOM 1809 OG SER A 114 3.640 -5.451 -9.549 1.00 22.31 O ATOM 0 H SER A 114 6.222 -5.807 -8.570 1.00 11.32 H new ATOM 0 HA SER A 114 4.356 -8.043 -8.803 1.00 75.05 H new ATOM 0 HB2 SER A 114 5.135 -5.947 -10.875 1.00 63.31 H new ATOM 0 HB3 SER A 114 3.731 -6.996 -10.907 1.00 63.31 H new ATOM 0 HG SER A 114 3.209 -4.852 -10.194 1.00 22.31 H new ATOM 1815 N SER A 115 7.330 -8.286 -9.800 1.00 3.23 N ATOM 1816 CA SER A 115 8.310 -9.219 -10.334 1.00 52.22 C ATOM 1817 C SER A 115 8.966 -9.927 -9.148 1.00 74.31 C ATOM 1818 O SER A 115 9.240 -9.261 -8.147 1.00 20.33 O ATOM 1819 CB SER A 115 9.369 -8.447 -11.134 1.00 33.40 C ATOM 1820 OG SER A 115 8.779 -7.656 -12.149 1.00 2.34 O ATOM 0 H SER A 115 7.742 -7.558 -9.216 1.00 3.23 H new ATOM 0 HA SER A 115 7.836 -9.944 -10.996 1.00 52.22 H new ATOM 0 HB2 SER A 115 9.941 -7.809 -10.461 1.00 33.40 H new ATOM 0 HB3 SER A 115 10.072 -9.150 -11.581 1.00 33.40 H new ATOM 0 HG SER A 115 9.479 -7.176 -12.639 1.00 2.34 H new ATOM 1826 N PRO A 116 9.305 -11.221 -9.256 1.00 62.12 N ATOM 1827 CA PRO A 116 9.948 -11.954 -8.176 1.00 41.04 C ATOM 1828 C PRO A 116 11.392 -11.492 -7.990 1.00 74.54 C ATOM 1829 O PRO A 116 11.847 -11.360 -6.858 1.00 74.14 O ATOM 1830 CB PRO A 116 9.856 -13.428 -8.571 1.00 55.02 C ATOM 1831 CG PRO A 116 9.799 -13.381 -10.097 1.00 23.03 C ATOM 1832 CD PRO A 116 9.007 -12.106 -10.369 1.00 64.14 C ATOM 0 HA PRO A 116 9.463 -11.781 -7.215 1.00 41.04 H new ATOM 0 HB2 PRO A 116 10.718 -13.993 -8.218 1.00 55.02 H new ATOM 0 HB3 PRO A 116 8.970 -13.903 -8.150 1.00 55.02 H new ATOM 0 HG2 PRO A 116 10.795 -13.340 -10.537 1.00 23.03 H new ATOM 0 HG3 PRO A 116 9.304 -14.260 -10.510 1.00 23.03 H new ATOM 0 HD2 PRO A 116 9.300 -11.656 -11.318 1.00 64.14 H new ATOM 0 HD3 PRO A 116 7.939 -12.313 -10.431 1.00 64.14 H new ATOM 1840 N ASP A 117 12.121 -11.190 -9.069 1.00 31.33 N ATOM 1841 CA ASP A 117 13.506 -10.724 -8.973 1.00 14.00 C ATOM 1842 C ASP A 117 13.601 -9.443 -8.134 1.00 61.44 C ATOM 1843 O ASP A 117 14.500 -9.291 -7.310 1.00 33.44 O ATOM 1844 CB ASP A 117 14.066 -10.502 -10.377 1.00 11.13 C ATOM 1845 CG ASP A 117 15.461 -9.880 -10.348 1.00 54.23 C ATOM 1846 OD1 ASP A 117 16.373 -10.424 -9.696 1.00 44.43 O ATOM 1847 OD2 ASP A 117 15.642 -8.853 -11.050 1.00 75.44 O ATOM 0 H ASP A 117 11.771 -11.261 -10.024 1.00 31.33 H new ATOM 0 HA ASP A 117 14.101 -11.486 -8.469 1.00 14.00 H new ATOM 0 HB2 ASP A 117 14.105 -11.454 -10.906 1.00 11.13 H new ATOM 0 HB3 ASP A 117 13.392 -9.854 -10.937 1.00 11.13 H new ATOM 1852 N ALA A 118 12.610 -8.559 -8.277 1.00 10.02 N ATOM 1853 CA ALA A 118 12.619 -7.232 -7.679 1.00 74.55 C ATOM 1854 C ALA A 118 12.479 -7.284 -6.157 1.00 65.54 C ATOM 1855 O ALA A 118 12.858 -6.326 -5.492 1.00 5.21 O ATOM 1856 CB ALA A 118 11.500 -6.385 -8.297 1.00 43.32 C ATOM 0 H ALA A 118 11.769 -8.753 -8.820 1.00 10.02 H new ATOM 0 HA ALA A 118 13.585 -6.773 -7.891 1.00 74.55 H new ATOM 0 HB1 ALA A 118 11.506 -5.391 -7.849 1.00 43.32 H new ATOM 0 HB2 ALA A 118 11.659 -6.300 -9.372 1.00 43.32 H new ATOM 0 HB3 ALA A 118 10.538 -6.861 -8.110 1.00 43.32 H new ATOM 1862 N VAL A 119 11.962 -8.385 -5.604 1.00 1.11 N ATOM 1863 CA VAL A 119 11.797 -8.606 -4.171 1.00 35.33 C ATOM 1864 C VAL A 119 13.159 -8.434 -3.496 1.00 11.23 C ATOM 1865 O VAL A 119 13.314 -7.644 -2.562 1.00 1.31 O ATOM 1866 CB VAL A 119 11.203 -10.021 -3.957 1.00 72.43 C ATOM 1867 CG1 VAL A 119 10.937 -10.375 -2.482 1.00 64.03 C ATOM 1868 CG2 VAL A 119 9.861 -10.179 -4.676 1.00 41.13 C ATOM 0 H VAL A 119 11.637 -9.172 -6.165 1.00 1.11 H new ATOM 0 HA VAL A 119 11.110 -7.887 -3.725 1.00 35.33 H new ATOM 0 HB VAL A 119 11.967 -10.687 -4.358 1.00 72.43 H new ATOM 0 HG11 VAL A 119 10.522 -11.381 -2.418 1.00 64.03 H new ATOM 0 HG12 VAL A 119 11.872 -10.332 -1.923 1.00 64.03 H new ATOM 0 HG13 VAL A 119 10.229 -9.663 -2.059 1.00 64.03 H new ATOM 0 HG21 VAL A 119 9.473 -11.183 -4.505 1.00 41.13 H new ATOM 0 HG22 VAL A 119 9.153 -9.445 -4.290 1.00 41.13 H new ATOM 0 HG23 VAL A 119 10.000 -10.021 -5.745 1.00 41.13 H new ATOM 1878 N THR A 120 14.148 -9.164 -4.000 1.00 64.42 N ATOM 1879 CA THR A 120 15.474 -9.269 -3.426 1.00 1.13 C ATOM 1880 C THR A 120 16.263 -7.979 -3.676 1.00 11.24 C ATOM 1881 O THR A 120 16.909 -7.474 -2.752 1.00 74.02 O ATOM 1882 CB THR A 120 16.122 -10.529 -4.024 1.00 45.40 C ATOM 1883 OG1 THR A 120 15.217 -11.610 -3.912 1.00 71.24 O ATOM 1884 CG2 THR A 120 17.355 -10.971 -3.254 1.00 2.13 C ATOM 0 H THR A 120 14.039 -9.717 -4.850 1.00 64.42 H new ATOM 0 HA THR A 120 15.450 -9.377 -2.342 1.00 1.13 H new ATOM 0 HB THR A 120 16.385 -10.280 -5.052 1.00 45.40 H new ATOM 0 HG1 THR A 120 15.622 -12.417 -4.293 1.00 71.24 H new ATOM 0 HG21 THR A 120 17.773 -11.864 -3.718 1.00 2.13 H new ATOM 0 HG22 THR A 120 18.098 -10.173 -3.268 1.00 2.13 H new ATOM 0 HG23 THR A 120 17.080 -11.193 -2.223 1.00 2.13 H new ATOM 1892 N THR A 121 16.164 -7.417 -4.882 1.00 52.11 N ATOM 1893 CA THR A 121 16.772 -6.153 -5.278 1.00 34.25 C ATOM 1894 C THR A 121 16.290 -5.017 -4.366 1.00 63.05 C ATOM 1895 O THR A 121 17.110 -4.294 -3.795 1.00 23.23 O ATOM 1896 CB THR A 121 16.425 -5.920 -6.760 1.00 23.20 C ATOM 1897 OG1 THR A 121 16.786 -7.085 -7.474 1.00 4.42 O ATOM 1898 CG2 THR A 121 17.118 -4.703 -7.374 1.00 32.04 C ATOM 0 H THR A 121 15.635 -7.851 -5.638 1.00 52.11 H new ATOM 0 HA THR A 121 17.856 -6.181 -5.169 1.00 34.25 H new ATOM 0 HB THR A 121 15.356 -5.714 -6.824 1.00 23.20 H new ATOM 0 HG1 THR A 121 16.574 -6.966 -8.423 1.00 4.42 H new ATOM 0 HG21 THR A 121 16.824 -4.605 -8.419 1.00 32.04 H new ATOM 0 HG22 THR A 121 16.826 -3.805 -6.829 1.00 32.04 H new ATOM 0 HG23 THR A 121 18.199 -4.830 -7.312 1.00 32.04 H new ATOM 1906 N TYR A 122 14.971 -4.873 -4.200 1.00 51.13 N ATOM 1907 CA TYR A 122 14.359 -3.861 -3.350 1.00 62.42 C ATOM 1908 C TYR A 122 14.840 -4.029 -1.910 1.00 23.21 C ATOM 1909 O TYR A 122 15.277 -3.064 -1.286 1.00 72.41 O ATOM 1910 CB TYR A 122 12.831 -3.968 -3.442 1.00 40.01 C ATOM 1911 CG TYR A 122 12.078 -2.923 -2.642 1.00 24.41 C ATOM 1912 CD1 TYR A 122 11.757 -1.687 -3.232 1.00 72.40 C ATOM 1913 CD2 TYR A 122 11.702 -3.177 -1.309 1.00 55.15 C ATOM 1914 CE1 TYR A 122 11.038 -0.717 -2.517 1.00 3.45 C ATOM 1915 CE2 TYR A 122 10.984 -2.210 -0.587 1.00 64.13 C ATOM 1916 CZ TYR A 122 10.646 -0.980 -1.187 1.00 22.15 C ATOM 1917 OH TYR A 122 9.975 -0.049 -0.461 1.00 24.34 O ATOM 0 H TYR A 122 14.289 -5.472 -4.665 1.00 51.13 H new ATOM 0 HA TYR A 122 14.655 -2.868 -3.690 1.00 62.42 H new ATOM 0 HB2 TYR A 122 12.536 -3.888 -4.488 1.00 40.01 H new ATOM 0 HB3 TYR A 122 12.527 -4.957 -3.100 1.00 40.01 H new ATOM 0 HD1 TYR A 122 12.067 -1.482 -4.246 1.00 72.40 H new ATOM 0 HD2 TYR A 122 11.966 -4.115 -0.842 1.00 55.15 H new ATOM 0 HE1 TYR A 122 10.786 0.225 -2.982 1.00 3.45 H new ATOM 0 HE2 TYR A 122 10.689 -2.410 0.433 1.00 64.13 H new ATOM 0 HH TYR A 122 10.130 0.839 -0.845 1.00 24.34 H new ATOM 1927 N ASN A 123 14.806 -5.259 -1.383 1.00 52.51 N ATOM 1928 CA ASN A 123 15.229 -5.524 -0.008 1.00 41.23 C ATOM 1929 C ASN A 123 16.706 -5.223 0.232 1.00 30.40 C ATOM 1930 O ASN A 123 17.074 -4.959 1.377 1.00 34.22 O ATOM 1931 CB ASN A 123 14.887 -6.962 0.434 1.00 30.21 C ATOM 1932 CG ASN A 123 13.624 -7.035 1.286 1.00 42.33 C ATOM 1933 OD1 ASN A 123 12.953 -6.040 1.552 1.00 53.12 O ATOM 1934 ND2 ASN A 123 13.240 -8.210 1.742 1.00 72.34 N ATOM 0 H ASN A 123 14.489 -6.085 -1.891 1.00 52.51 H new ATOM 0 HA ASN A 123 14.658 -4.832 0.612 1.00 41.23 H new ATOM 0 HB2 ASN A 123 14.760 -7.588 -0.449 1.00 30.21 H new ATOM 0 HB3 ASN A 123 15.724 -7.372 0.998 1.00 30.21 H new ATOM 0 HD21 ASN A 123 12.395 -8.286 2.308 1.00 72.34 H new ATOM 0 HD22 ASN A 123 13.788 -9.044 1.529 1.00 72.34 H new ATOM 1941 N GLY A 124 17.540 -5.220 -0.810 1.00 51.15 N ATOM 1942 CA GLY A 124 18.926 -4.793 -0.708 1.00 35.21 C ATOM 1943 C GLY A 124 19.037 -3.273 -0.592 1.00 5.43 C ATOM 1944 O GLY A 124 19.808 -2.787 0.240 1.00 14.30 O ATOM 0 H GLY A 124 17.267 -5.515 -1.747 1.00 51.15 H new ATOM 0 HA2 GLY A 124 19.389 -5.260 0.162 1.00 35.21 H new ATOM 0 HA3 GLY A 124 19.478 -5.133 -1.584 1.00 35.21 H new ATOM 1948 N TYR A 125 18.240 -2.518 -1.365 1.00 4.34 N ATOM 1949 CA TYR A 125 18.281 -1.055 -1.360 1.00 75.23 C ATOM 1950 C TYR A 125 18.003 -0.474 0.023 1.00 53.00 C ATOM 1951 O TYR A 125 18.468 0.631 0.301 1.00 72.24 O ATOM 1952 CB TYR A 125 17.297 -0.436 -2.366 1.00 5.24 C ATOM 1953 CG TYR A 125 17.732 -0.441 -3.818 1.00 64.10 C ATOM 1954 CD1 TYR A 125 18.911 0.222 -4.213 1.00 33.41 C ATOM 1955 CD2 TYR A 125 16.895 -0.999 -4.799 1.00 31.44 C ATOM 1956 CE1 TYR A 125 19.255 0.317 -5.573 1.00 14.42 C ATOM 1957 CE2 TYR A 125 17.235 -0.917 -6.157 1.00 63.12 C ATOM 1958 CZ TYR A 125 18.418 -0.256 -6.552 1.00 63.12 C ATOM 1959 OH TYR A 125 18.718 -0.116 -7.871 1.00 1.21 O ATOM 0 H TYR A 125 17.552 -2.908 -2.009 1.00 4.34 H new ATOM 0 HA TYR A 125 19.297 -0.797 -1.657 1.00 75.23 H new ATOM 0 HB2 TYR A 125 16.349 -0.969 -2.291 1.00 5.24 H new ATOM 0 HB3 TYR A 125 17.107 0.595 -2.069 1.00 5.24 H new ATOM 0 HD1 TYR A 125 19.555 0.661 -3.465 1.00 33.41 H new ATOM 0 HD2 TYR A 125 15.982 -1.495 -4.505 1.00 31.44 H new ATOM 0 HE1 TYR A 125 20.160 0.828 -5.867 1.00 14.42 H new ATOM 0 HE2 TYR A 125 16.591 -1.360 -6.902 1.00 63.12 H new ATOM 0 HH TYR A 125 18.039 -0.572 -8.411 1.00 1.21 H new ATOM 1969 N LEU A 126 17.300 -1.210 0.893 1.00 23.14 N ATOM 1970 CA LEU A 126 16.979 -0.766 2.246 1.00 43.20 C ATOM 1971 C LEU A 126 18.243 -0.364 3.018 1.00 13.32 C ATOM 1972 O LEU A 126 18.150 0.504 3.887 1.00 40.44 O ATOM 1973 CB LEU A 126 16.215 -1.849 3.034 1.00 13.12 C ATOM 1974 CG LEU A 126 14.843 -2.310 2.499 1.00 31.54 C ATOM 1975 CD1 LEU A 126 13.887 -2.608 3.650 1.00 65.11 C ATOM 1976 CD2 LEU A 126 14.126 -1.335 1.572 1.00 1.32 C ATOM 0 H LEU A 126 16.937 -2.137 0.671 1.00 23.14 H new ATOM 0 HA LEU A 126 16.336 0.108 2.144 1.00 43.20 H new ATOM 0 HB2 LEU A 126 16.858 -2.727 3.102 1.00 13.12 H new ATOM 0 HB3 LEU A 126 16.070 -1.481 4.050 1.00 13.12 H new ATOM 0 HG LEU A 126 15.090 -3.194 1.912 1.00 31.54 H new ATOM 0 HD11 LEU A 126 12.926 -2.931 3.250 1.00 65.11 H new ATOM 0 HD12 LEU A 126 14.304 -3.398 4.275 1.00 65.11 H new ATOM 0 HD13 LEU A 126 13.747 -1.708 4.249 1.00 65.11 H new ATOM 0 HD21 LEU A 126 13.174 -1.764 1.259 1.00 1.32 H new ATOM 0 HD22 LEU A 126 13.946 -0.398 2.099 1.00 1.32 H new ATOM 0 HD23 LEU A 126 14.745 -1.145 0.695 1.00 1.32 H new