USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 720 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 58 ASN : amide:sc= -0.896 K(o=-0.091,f=-4.3!) USER MOD Set 1.2: A 59 SER OG : rot 69:sc= 0.805 USER MOD Single : A 4 SER OG : rot -54:sc= 0.0303 USER MOD Single : A 9 THR OG1 : rot 75:sc= 0.382 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 45:sc= 1.08 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.0134 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.993 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0491 K(o=-0.049,f=-0.61) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 178:sc=-0.00639 (180deg=-0.012) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -149:sc= 0.0757 USER MOD Single : A 95 GLN : amide:sc=-0.00787 X(o=-0.0079,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 3 0.627 1.773 -5.465 1.00 34.33 N ATOM 38 CA PRO A 3 0.563 2.629 -6.653 1.00 13.44 C ATOM 39 C PRO A 3 -0.279 2.015 -7.766 1.00 23.21 C ATOM 40 O PRO A 3 -0.186 0.818 -8.039 1.00 4.12 O ATOM 41 CB PRO A 3 2.026 2.742 -7.088 1.00 31.20 C ATOM 42 CG PRO A 3 2.675 1.511 -6.556 1.00 60.11 C ATOM 43 CD PRO A 3 1.965 1.192 -5.269 1.00 65.43 C ATOM 0 HA PRO A 3 0.093 3.589 -6.439 1.00 13.44 H new ATOM 0 HB2 PRO A 3 2.113 2.798 -8.173 1.00 31.20 H new ATOM 0 HB3 PRO A 3 2.491 3.641 -6.684 1.00 31.20 H new ATOM 0 HG2 PRO A 3 2.588 0.687 -7.264 1.00 60.11 H new ATOM 0 HG3 PRO A 3 3.739 1.674 -6.385 1.00 60.11 H new ATOM 0 HD2 PRO A 3 1.915 0.117 -5.093 1.00 65.43 H new ATOM 0 HD3 PRO A 3 2.472 1.632 -4.410 1.00 65.43 H new ATOM 51 N SER A 4 -1.100 2.841 -8.406 1.00 45.41 N ATOM 52 CA SER A 4 -1.960 2.378 -9.488 1.00 71.22 C ATOM 53 C SER A 4 -2.821 1.203 -9.033 1.00 4.23 C ATOM 54 O SER A 4 -3.160 0.323 -9.824 1.00 41.44 O ATOM 55 CB SER A 4 -1.118 1.969 -10.698 1.00 72.13 C ATOM 56 OG SER A 4 -1.885 2.005 -11.889 1.00 55.12 O ATOM 0 H SER A 4 -1.188 3.835 -8.194 1.00 45.41 H new ATOM 0 HA SER A 4 -2.618 3.199 -9.773 1.00 71.22 H new ATOM 0 HB2 SER A 4 -0.263 2.638 -10.792 1.00 72.13 H new ATOM 0 HB3 SER A 4 -0.722 0.965 -10.547 1.00 72.13 H new ATOM 0 HG SER A 4 -2.689 1.455 -11.777 1.00 55.12 H new ATOM 62 N PHE A 5 -3.170 1.196 -7.751 1.00 14.23 N ATOM 63 CA PHE A 5 -3.990 0.130 -7.188 1.00 35.12 C ATOM 64 C PHE A 5 -3.488 -1.238 -7.639 1.00 22.54 C ATOM 65 O PHE A 5 -3.983 -1.803 -8.614 1.00 22.04 O ATOM 66 CB PHE A 5 -5.453 0.310 -7.601 1.00 3.12 C ATOM 67 CG PHE A 5 -6.194 1.310 -6.761 1.00 0.43 C ATOM 68 CD1 PHE A 5 -7.075 0.891 -5.777 1.00 3.43 C ATOM 69 CD2 PHE A 5 -6.010 2.670 -6.955 1.00 74.15 C ATOM 70 CE1 PHE A 5 -7.758 1.809 -5.002 1.00 12.35 C ATOM 71 CE2 PHE A 5 -6.691 3.592 -6.183 1.00 43.42 C ATOM 72 CZ PHE A 5 -7.567 3.162 -5.206 1.00 24.41 C ATOM 0 H PHE A 5 -2.898 1.917 -7.082 1.00 14.23 H new ATOM 0 HA PHE A 5 -3.917 0.185 -6.102 1.00 35.12 H new ATOM 0 HB2 PHE A 5 -5.492 0.624 -8.644 1.00 3.12 H new ATOM 0 HB3 PHE A 5 -5.961 -0.652 -7.539 1.00 3.12 H new ATOM 0 HD1 PHE A 5 -7.230 -0.165 -5.614 1.00 3.43 H new ATOM 0 HD2 PHE A 5 -5.327 3.013 -7.718 1.00 74.15 H new ATOM 0 HE1 PHE A 5 -8.441 1.469 -4.237 1.00 12.35 H new ATOM 0 HE2 PHE A 5 -6.538 4.649 -6.344 1.00 43.42 H new ATOM 0 HZ PHE A 5 -8.101 3.881 -4.603 1.00 24.41 H new ATOM 82 N ALA A 6 -2.501 -1.765 -6.922 1.00 25.24 N ATOM 83 CA ALA A 6 -1.931 -3.067 -7.246 1.00 72.20 C ATOM 84 C ALA A 6 -1.211 -3.032 -8.590 1.00 21.14 C ATOM 85 O ALA A 6 -1.771 -3.376 -9.631 1.00 20.13 O ATOM 86 CB ALA A 6 -3.019 -4.131 -7.256 1.00 22.23 C ATOM 0 H ALA A 6 -2.079 -1.310 -6.112 1.00 25.24 H new ATOM 0 HA ALA A 6 -1.199 -3.317 -6.478 1.00 72.20 H new ATOM 0 HB1 ALA A 6 -2.580 -5.098 -7.499 1.00 22.23 H new ATOM 0 HB2 ALA A 6 -3.487 -4.182 -6.273 1.00 22.23 H new ATOM 0 HB3 ALA A 6 -3.771 -3.876 -8.003 1.00 22.23 H new ATOM 92 N PRO A 7 0.061 -2.606 -8.569 1.00 53.13 N ATOM 93 CA PRO A 7 0.885 -2.516 -9.778 1.00 53.52 C ATOM 94 C PRO A 7 1.251 -3.887 -10.334 1.00 75.44 C ATOM 95 O PRO A 7 1.716 -4.760 -9.603 1.00 71.52 O ATOM 96 CB PRO A 7 2.139 -1.781 -9.298 1.00 62.24 C ATOM 97 CG PRO A 7 2.215 -2.074 -7.840 1.00 12.04 C ATOM 98 CD PRO A 7 0.792 -2.180 -7.364 1.00 41.13 C ATOM 0 HA PRO A 7 0.363 -2.011 -10.591 1.00 53.52 H new ATOM 0 HB2 PRO A 7 3.029 -2.134 -9.820 1.00 62.24 H new ATOM 0 HB3 PRO A 7 2.065 -0.709 -9.483 1.00 62.24 H new ATOM 0 HG2 PRO A 7 2.758 -3.001 -7.656 1.00 12.04 H new ATOM 0 HG3 PRO A 7 2.746 -1.283 -7.310 1.00 12.04 H new ATOM 0 HD2 PRO A 7 0.691 -2.904 -6.556 1.00 41.13 H new ATOM 0 HD3 PRO A 7 0.423 -1.227 -6.986 1.00 41.13 H new ATOM 106 N GLY A 8 1.037 -4.070 -11.634 1.00 61.40 N ATOM 107 CA GLY A 8 1.350 -5.339 -12.266 1.00 4.32 C ATOM 108 C GLY A 8 0.113 -6.064 -12.756 1.00 52.42 C ATOM 109 O GLY A 8 0.137 -7.276 -12.969 1.00 61.33 O ATOM 0 H GLY A 8 0.653 -3.363 -12.260 1.00 61.40 H new ATOM 0 HA2 GLY A 8 2.023 -5.167 -13.106 1.00 4.32 H new ATOM 0 HA3 GLY A 8 1.882 -5.973 -11.557 1.00 4.32 H new ATOM 113 N THR A 9 -0.975 -5.320 -12.935 1.00 21.33 N ATOM 114 CA THR A 9 -2.229 -5.900 -13.400 1.00 3.40 C ATOM 115 C THR A 9 -2.372 -5.760 -14.911 1.00 43.32 C ATOM 116 O THR A 9 -2.164 -4.680 -15.467 1.00 72.45 O ATOM 117 CB THR A 9 -3.441 -5.238 -12.718 1.00 3.24 C ATOM 118 OG1 THR A 9 -3.113 -4.889 -11.368 1.00 31.10 O ATOM 119 CG2 THR A 9 -4.643 -6.170 -12.728 1.00 52.43 C ATOM 0 H THR A 9 -1.013 -4.315 -12.765 1.00 21.33 H new ATOM 0 HA THR A 9 -2.205 -6.957 -13.136 1.00 3.40 H new ATOM 0 HB THR A 9 -3.696 -4.336 -13.275 1.00 3.24 H new ATOM 0 HG1 THR A 9 -2.534 -4.099 -11.366 1.00 31.10 H new ATOM 0 HG21 THR A 9 -5.487 -5.681 -12.241 1.00 52.43 H new ATOM 0 HG22 THR A 9 -4.908 -6.411 -13.757 1.00 52.43 H new ATOM 0 HG23 THR A 9 -4.397 -7.087 -12.193 1.00 52.43 H new ATOM 127 N LEU A 10 -2.728 -6.856 -15.571 1.00 22.20 N ATOM 128 CA LEU A 10 -2.900 -6.856 -17.020 1.00 4.43 C ATOM 129 C LEU A 10 -4.360 -6.623 -17.395 1.00 23.03 C ATOM 130 O LEU A 10 -5.231 -7.431 -17.072 1.00 62.15 O ATOM 131 CB LEU A 10 -2.414 -8.180 -17.611 1.00 70.12 C ATOM 132 CG LEU A 10 -2.170 -8.192 -19.121 1.00 12.33 C ATOM 133 CD1 LEU A 10 -1.268 -9.354 -19.507 1.00 13.23 C ATOM 134 CD2 LEU A 10 -3.490 -8.266 -19.874 1.00 15.24 C ATOM 0 H LEU A 10 -2.903 -7.757 -15.126 1.00 22.20 H new ATOM 0 HA LEU A 10 -2.304 -6.041 -17.432 1.00 4.43 H new ATOM 0 HB2 LEU A 10 -1.487 -8.459 -17.111 1.00 70.12 H new ATOM 0 HB3 LEU A 10 -3.148 -8.951 -17.376 1.00 70.12 H new ATOM 0 HG LEU A 10 -1.669 -7.264 -19.396 1.00 12.33 H new ATOM 0 HD11 LEU A 10 -1.106 -9.346 -20.585 1.00 13.23 H new ATOM 0 HD12 LEU A 10 -0.311 -9.257 -18.995 1.00 13.23 H new ATOM 0 HD13 LEU A 10 -1.740 -10.293 -19.218 1.00 13.23 H new ATOM 0 HD21 LEU A 10 -3.297 -8.274 -20.947 1.00 15.24 H new ATOM 0 HD22 LEU A 10 -4.018 -9.177 -19.594 1.00 15.24 H new ATOM 0 HD23 LEU A 10 -4.102 -7.400 -19.622 1.00 15.24 H new ATOM 146 N VAL A 11 -4.620 -5.514 -18.080 1.00 10.13 N ATOM 147 CA VAL A 11 -5.974 -5.176 -18.502 1.00 71.31 C ATOM 148 C VAL A 11 -6.056 -5.027 -20.017 1.00 70.21 C ATOM 149 O VAL A 11 -5.056 -5.174 -20.720 1.00 53.42 O ATOM 150 CB VAL A 11 -6.459 -3.872 -17.842 1.00 11.02 C ATOM 151 CG1 VAL A 11 -6.446 -4.003 -16.327 1.00 22.35 C ATOM 152 CG2 VAL A 11 -5.603 -2.698 -18.291 1.00 40.40 C ATOM 0 H VAL A 11 -3.911 -4.834 -18.355 1.00 10.13 H new ATOM 0 HA VAL A 11 -6.618 -5.996 -18.185 1.00 71.31 H new ATOM 0 HB VAL A 11 -7.486 -3.686 -18.157 1.00 11.02 H new ATOM 0 HG11 VAL A 11 -6.792 -3.072 -15.878 1.00 22.35 H new ATOM 0 HG12 VAL A 11 -7.105 -4.817 -16.027 1.00 22.35 H new ATOM 0 HG13 VAL A 11 -5.432 -4.214 -15.989 1.00 22.35 H new ATOM 0 HG21 VAL A 11 -5.960 -1.785 -17.815 1.00 40.40 H new ATOM 0 HG22 VAL A 11 -4.566 -2.874 -18.006 1.00 40.40 H new ATOM 0 HG23 VAL A 11 -5.669 -2.593 -19.374 1.00 40.40 H new ATOM 162 N TRP A 12 -7.253 -4.735 -20.513 1.00 43.20 N ATOM 163 CA TRP A 12 -7.465 -4.565 -21.946 1.00 34.10 C ATOM 164 C TRP A 12 -7.914 -3.143 -22.265 1.00 65.22 C ATOM 165 O TRP A 12 -8.806 -2.601 -21.611 1.00 63.22 O ATOM 166 CB TRP A 12 -8.506 -5.566 -22.450 1.00 60.31 C ATOM 167 CG TRP A 12 -7.925 -6.904 -22.794 1.00 70.41 C ATOM 168 CD1 TRP A 12 -6.792 -7.464 -22.275 1.00 54.03 C ATOM 169 CD2 TRP A 12 -8.447 -7.849 -23.734 1.00 73.34 C ATOM 170 NE1 TRP A 12 -6.579 -8.700 -22.837 1.00 11.14 N ATOM 171 CE2 TRP A 12 -7.581 -8.960 -23.734 1.00 2.10 C ATOM 172 CE3 TRP A 12 -9.564 -7.866 -24.575 1.00 24.51 C ATOM 173 CZ2 TRP A 12 -7.797 -10.073 -24.542 1.00 50.34 C ATOM 174 CZ3 TRP A 12 -9.777 -8.971 -25.377 1.00 24.42 C ATOM 175 CH2 TRP A 12 -8.898 -10.062 -25.356 1.00 24.54 C ATOM 0 H TRP A 12 -8.091 -4.611 -19.945 1.00 43.20 H new ATOM 0 HA TRP A 12 -6.518 -4.749 -22.453 1.00 34.10 H new ATOM 0 HB2 TRP A 12 -9.273 -5.696 -21.687 1.00 60.31 H new ATOM 0 HB3 TRP A 12 -8.999 -5.154 -23.331 1.00 60.31 H new ATOM 0 HD1 TRP A 12 -6.157 -7.003 -21.533 1.00 54.03 H new ATOM 0 HE1 TRP A 12 -5.801 -9.323 -22.621 1.00 11.14 H new ATOM 0 HE3 TRP A 12 -10.248 -7.031 -24.597 1.00 24.51 H new ATOM 0 HZ2 TRP A 12 -7.121 -10.915 -24.527 1.00 50.34 H new ATOM 0 HZ3 TRP A 12 -10.636 -8.994 -26.031 1.00 24.42 H new ATOM 0 HH2 TRP A 12 -9.093 -10.911 -25.994 1.00 24.54 H new ATOM 186 N LEU A 13 -7.290 -2.543 -23.273 1.00 73.44 N ATOM 187 CA LEU A 13 -7.626 -1.183 -23.680 1.00 21.04 C ATOM 188 C LEU A 13 -8.254 -1.169 -25.070 1.00 31.15 C ATOM 189 O LEU A 13 -7.622 -1.555 -26.053 1.00 24.23 O ATOM 190 CB LEU A 13 -6.376 -0.302 -23.664 1.00 4.13 C ATOM 191 CG LEU A 13 -6.474 0.988 -22.848 1.00 25.42 C ATOM 192 CD1 LEU A 13 -5.442 0.992 -21.730 1.00 62.05 C ATOM 193 CD2 LEU A 13 -6.294 2.202 -23.747 1.00 12.44 C ATOM 0 H LEU A 13 -6.549 -2.977 -23.823 1.00 73.44 H new ATOM 0 HA LEU A 13 -8.352 -0.787 -22.970 1.00 21.04 H new ATOM 0 HB2 LEU A 13 -5.545 -0.892 -23.276 1.00 4.13 H new ATOM 0 HB3 LEU A 13 -6.128 -0.040 -24.692 1.00 4.13 H new ATOM 0 HG LEU A 13 -7.466 1.037 -22.399 1.00 25.42 H new ATOM 0 HD11 LEU A 13 -5.527 1.917 -21.160 1.00 62.05 H new ATOM 0 HD12 LEU A 13 -5.617 0.142 -21.070 1.00 62.05 H new ATOM 0 HD13 LEU A 13 -4.442 0.919 -22.158 1.00 62.05 H new ATOM 0 HD21 LEU A 13 -6.367 3.111 -23.150 1.00 12.44 H new ATOM 0 HD22 LEU A 13 -5.315 2.159 -24.225 1.00 12.44 H new ATOM 0 HD23 LEU A 13 -7.071 2.207 -24.511 1.00 12.44 H new ATOM 205 N LYS A 14 -9.502 -0.719 -25.144 1.00 72.55 N ATOM 206 CA LYS A 14 -10.216 -0.651 -26.414 1.00 13.01 C ATOM 207 C LYS A 14 -10.337 0.792 -26.893 1.00 42.11 C ATOM 208 O LYS A 14 -11.028 1.603 -26.278 1.00 1.50 O ATOM 209 CB LYS A 14 -11.608 -1.271 -26.274 1.00 14.15 C ATOM 210 CG LYS A 14 -12.414 -1.254 -27.561 1.00 15.42 C ATOM 211 CD LYS A 14 -13.790 -1.870 -27.366 1.00 25.21 C ATOM 212 CE LYS A 14 -14.889 -0.824 -27.469 1.00 70.32 C ATOM 213 NZ LYS A 14 -15.335 -0.626 -28.876 1.00 53.20 N ATOM 0 H LYS A 14 -10.040 -0.396 -24.340 1.00 72.55 H new ATOM 0 HA LYS A 14 -9.647 -1.215 -27.153 1.00 13.01 H new ATOM 0 HB2 LYS A 14 -11.505 -2.301 -25.933 1.00 14.15 H new ATOM 0 HB3 LYS A 14 -12.160 -0.734 -25.503 1.00 14.15 H new ATOM 0 HG2 LYS A 14 -12.520 -0.227 -27.911 1.00 15.42 H new ATOM 0 HG3 LYS A 14 -11.876 -1.801 -28.335 1.00 15.42 H new ATOM 0 HD2 LYS A 14 -13.952 -2.645 -28.115 1.00 25.21 H new ATOM 0 HD3 LYS A 14 -13.838 -2.355 -26.391 1.00 25.21 H new ATOM 0 HE2 LYS A 14 -15.739 -1.128 -26.858 1.00 70.32 H new ATOM 0 HE3 LYS A 14 -14.529 0.122 -27.065 1.00 70.32 H new ATOM 0 HZ1 LYS A 14 -16.085 0.094 -28.904 1.00 53.20 H new ATOM 0 HZ2 LYS A 14 -14.530 -0.311 -29.454 1.00 53.20 H new ATOM 0 HZ3 LYS A 14 -15.702 -1.523 -29.253 1.00 53.20 H new ATOM 227 N GLN A 15 -9.661 1.103 -27.995 1.00 13.44 N ATOM 228 CA GLN A 15 -9.694 2.449 -28.556 1.00 34.12 C ATOM 229 C GLN A 15 -11.010 2.703 -29.284 1.00 60.33 C ATOM 230 O GLN A 15 -11.747 1.768 -29.599 1.00 63.04 O ATOM 231 CB GLN A 15 -8.520 2.654 -29.514 1.00 25.33 C ATOM 232 CG GLN A 15 -7.398 3.498 -28.929 1.00 71.54 C ATOM 233 CD GLN A 15 -6.272 2.658 -28.360 1.00 64.23 C ATOM 234 OE1 GLN A 15 -5.354 2.260 -29.079 1.00 32.12 O ATOM 235 NE2 GLN A 15 -6.335 2.383 -27.063 1.00 2.44 N ATOM 0 H GLN A 15 -9.085 0.442 -28.516 1.00 13.44 H new ATOM 0 HA GLN A 15 -9.611 3.160 -27.734 1.00 34.12 H new ATOM 0 HB2 GLN A 15 -8.121 1.681 -29.800 1.00 25.33 H new ATOM 0 HB3 GLN A 15 -8.884 3.129 -30.425 1.00 25.33 H new ATOM 0 HG2 GLN A 15 -7.001 4.155 -29.703 1.00 71.54 H new ATOM 0 HG3 GLN A 15 -7.801 4.138 -28.144 1.00 71.54 H new ATOM 0 HE21 GLN A 15 -7.114 2.733 -26.505 1.00 2.44 H new ATOM 0 HE22 GLN A 15 -5.605 1.822 -26.625 1.00 2.44 H new ATOM 244 N ASP A 16 -11.299 3.972 -29.548 1.00 42.13 N ATOM 245 CA ASP A 16 -12.526 4.349 -30.240 1.00 42.15 C ATOM 246 C ASP A 16 -12.545 3.785 -31.658 1.00 13.22 C ATOM 247 O ASP A 16 -13.477 3.079 -32.042 1.00 71.54 O ATOM 248 CB ASP A 16 -12.666 5.872 -30.282 1.00 60.40 C ATOM 249 CG ASP A 16 -13.976 6.316 -30.902 1.00 73.41 C ATOM 250 OD1 ASP A 16 -15.003 5.647 -30.662 1.00 74.41 O ATOM 251 OD2 ASP A 16 -13.975 7.332 -31.627 1.00 2.54 O ATOM 0 H ASP A 16 -10.700 4.758 -29.293 1.00 42.13 H new ATOM 0 HA ASP A 16 -13.368 3.930 -29.690 1.00 42.15 H new ATOM 0 HB2 ASP A 16 -12.594 6.269 -29.269 1.00 60.40 H new ATOM 0 HB3 ASP A 16 -11.837 6.295 -30.850 1.00 60.40 H new ATOM 256 N ARG A 17 -11.512 4.103 -32.430 1.00 45.30 N ATOM 257 CA ARG A 17 -11.411 3.630 -33.805 1.00 53.45 C ATOM 258 C ARG A 17 -10.559 2.367 -33.885 1.00 42.43 C ATOM 259 O ARG A 17 -10.703 1.565 -34.808 1.00 53.53 O ATOM 260 CB ARG A 17 -10.814 4.719 -34.699 1.00 72.13 C ATOM 261 CG ARG A 17 -11.768 5.216 -35.773 1.00 61.14 C ATOM 262 CD ARG A 17 -11.055 6.097 -36.787 1.00 62.01 C ATOM 263 NE ARG A 17 -10.425 5.313 -37.846 1.00 42.22 N ATOM 264 CZ ARG A 17 -9.603 5.830 -38.753 1.00 74.24 C ATOM 265 NH1 ARG A 17 -9.314 7.123 -38.730 1.00 41.51 N ATOM 266 NH2 ARG A 17 -9.069 5.052 -39.686 1.00 73.21 N ATOM 0 H ARG A 17 -10.732 4.687 -32.127 1.00 45.30 H new ATOM 0 HA ARG A 17 -12.415 3.392 -34.155 1.00 53.45 H new ATOM 0 HB2 ARG A 17 -10.510 5.561 -34.077 1.00 72.13 H new ATOM 0 HB3 ARG A 17 -9.913 4.333 -35.176 1.00 72.13 H new ATOM 0 HG2 ARG A 17 -12.219 4.365 -36.283 1.00 61.14 H new ATOM 0 HG3 ARG A 17 -12.580 5.777 -35.309 1.00 61.14 H new ATOM 0 HD2 ARG A 17 -11.769 6.794 -37.227 1.00 62.01 H new ATOM 0 HD3 ARG A 17 -10.298 6.695 -36.279 1.00 62.01 H new ATOM 0 HE ARG A 17 -10.627 4.314 -37.892 1.00 42.22 H new ATOM 0 HH11 ARG A 17 -9.723 7.724 -38.015 1.00 41.51 H new ATOM 0 HH12 ARG A 17 -8.683 7.517 -39.428 1.00 41.51 H new ATOM 0 HH21 ARG A 17 -9.289 4.056 -39.707 1.00 73.21 H new ATOM 0 HH22 ARG A 17 -8.438 5.450 -40.382 1.00 73.21 H new ATOM 280 N PHE A 18 -9.670 2.197 -32.912 1.00 43.33 N ATOM 281 CA PHE A 18 -8.793 1.033 -32.873 1.00 63.00 C ATOM 282 C PHE A 18 -9.407 -0.083 -32.033 1.00 11.44 C ATOM 283 O PHE A 18 -10.257 0.150 -31.172 1.00 62.35 O ATOM 284 CB PHE A 18 -7.424 1.418 -32.308 1.00 21.13 C ATOM 285 CG PHE A 18 -6.331 1.425 -33.337 1.00 65.15 C ATOM 286 CD1 PHE A 18 -5.136 0.764 -33.103 1.00 63.31 C ATOM 287 CD2 PHE A 18 -6.497 2.093 -34.540 1.00 14.33 C ATOM 288 CE1 PHE A 18 -4.128 0.768 -34.049 1.00 24.12 C ATOM 289 CE2 PHE A 18 -5.493 2.101 -35.489 1.00 71.42 C ATOM 290 CZ PHE A 18 -4.306 1.438 -35.243 1.00 13.20 C ATOM 0 H PHE A 18 -9.538 2.851 -32.140 1.00 43.33 H new ATOM 0 HA PHE A 18 -8.668 0.669 -33.893 1.00 63.00 H new ATOM 0 HB2 PHE A 18 -7.492 2.407 -31.855 1.00 21.13 H new ATOM 0 HB3 PHE A 18 -7.159 0.721 -31.513 1.00 21.13 H new ATOM 0 HD1 PHE A 18 -4.990 0.239 -32.170 1.00 63.31 H new ATOM 0 HD2 PHE A 18 -7.422 2.614 -34.738 1.00 14.33 H new ATOM 0 HE1 PHE A 18 -3.202 0.247 -33.854 1.00 24.12 H new ATOM 0 HE2 PHE A 18 -5.636 2.625 -36.422 1.00 71.42 H new ATOM 0 HZ PHE A 18 -3.519 1.444 -35.983 1.00 13.20 H new ATOM 300 N PRO A 19 -8.968 -1.324 -32.287 1.00 33.41 N ATOM 301 CA PRO A 19 -9.461 -2.501 -31.565 1.00 70.42 C ATOM 302 C PRO A 19 -8.995 -2.528 -30.114 1.00 22.53 C ATOM 303 O PRO A 19 -8.447 -1.548 -29.610 1.00 13.14 O ATOM 304 CB PRO A 19 -8.857 -3.673 -32.343 1.00 24.10 C ATOM 305 CG PRO A 19 -7.637 -3.111 -32.987 1.00 42.15 C ATOM 306 CD PRO A 19 -7.957 -1.675 -33.298 1.00 50.13 C ATOM 0 HA PRO A 19 -10.550 -2.521 -31.514 1.00 70.42 H new ATOM 0 HB2 PRO A 19 -8.609 -4.502 -31.680 1.00 24.10 H new ATOM 0 HB3 PRO A 19 -9.556 -4.057 -33.086 1.00 24.10 H new ATOM 0 HG2 PRO A 19 -6.776 -3.184 -32.322 1.00 42.15 H new ATOM 0 HG3 PRO A 19 -7.386 -3.660 -33.894 1.00 42.15 H new ATOM 0 HD2 PRO A 19 -7.074 -1.041 -33.220 1.00 50.13 H new ATOM 0 HD3 PRO A 19 -8.344 -1.560 -34.310 1.00 50.13 H new ATOM 314 N TRP A 20 -9.215 -3.656 -29.448 1.00 22.23 N ATOM 315 CA TRP A 20 -8.816 -3.810 -28.053 1.00 71.32 C ATOM 316 C TRP A 20 -7.544 -4.643 -27.940 1.00 33.45 C ATOM 317 O TRP A 20 -7.495 -5.783 -28.402 1.00 21.21 O ATOM 318 CB TRP A 20 -9.942 -4.463 -27.249 1.00 4.32 C ATOM 319 CG TRP A 20 -10.528 -5.669 -27.918 1.00 24.13 C ATOM 320 CD1 TRP A 20 -10.076 -6.955 -27.831 1.00 4.11 C ATOM 321 CD2 TRP A 20 -11.672 -5.701 -28.777 1.00 35.22 C ATOM 322 NE1 TRP A 20 -10.871 -7.785 -28.585 1.00 4.55 N ATOM 323 CE2 TRP A 20 -11.858 -7.040 -29.174 1.00 42.00 C ATOM 324 CE3 TRP A 20 -12.560 -4.730 -29.248 1.00 32.15 C ATOM 325 CZ2 TRP A 20 -12.893 -7.429 -30.020 1.00 12.42 C ATOM 326 CZ3 TRP A 20 -13.587 -5.117 -30.087 1.00 72.41 C ATOM 327 CH2 TRP A 20 -13.747 -6.457 -30.466 1.00 35.03 C ATOM 0 H TRP A 20 -9.667 -4.477 -29.851 1.00 22.23 H new ATOM 0 HA TRP A 20 -8.616 -2.819 -27.646 1.00 71.32 H new ATOM 0 HB2 TRP A 20 -9.560 -4.750 -26.269 1.00 4.32 H new ATOM 0 HB3 TRP A 20 -10.731 -3.730 -27.081 1.00 4.32 H new ATOM 0 HD1 TRP A 20 -9.220 -7.273 -27.255 1.00 4.11 H new ATOM 0 HE1 TRP A 20 -10.746 -8.792 -28.689 1.00 4.55 H new ATOM 0 HE3 TRP A 20 -12.445 -3.695 -28.961 1.00 32.15 H new ATOM 0 HZ2 TRP A 20 -13.018 -8.461 -30.314 1.00 12.42 H new ATOM 0 HZ3 TRP A 20 -14.278 -4.374 -30.457 1.00 72.41 H new ATOM 0 HH2 TRP A 20 -14.560 -6.728 -31.123 1.00 35.03 H new ATOM 338 N TRP A 21 -6.519 -4.068 -27.322 1.00 21.20 N ATOM 339 CA TRP A 21 -5.246 -4.759 -27.148 1.00 34.41 C ATOM 340 C TRP A 21 -4.863 -4.831 -25.674 1.00 2.40 C ATOM 341 O TRP A 21 -5.269 -4.000 -24.861 1.00 40.45 O ATOM 342 CB TRP A 21 -4.146 -4.052 -27.940 1.00 62.25 C ATOM 343 CG TRP A 21 -4.296 -4.197 -29.425 1.00 22.53 C ATOM 344 CD1 TRP A 21 -4.392 -3.190 -30.341 1.00 43.43 C ATOM 345 CD2 TRP A 21 -4.369 -5.422 -30.163 1.00 30.12 C ATOM 346 NE1 TRP A 21 -4.520 -3.714 -31.605 1.00 11.02 N ATOM 347 CE2 TRP A 21 -4.508 -5.081 -31.522 1.00 71.25 C ATOM 348 CE3 TRP A 21 -4.329 -6.773 -29.808 1.00 25.11 C ATOM 349 CZ2 TRP A 21 -4.608 -6.043 -32.524 1.00 62.12 C ATOM 350 CZ3 TRP A 21 -4.428 -7.726 -30.803 1.00 60.53 C ATOM 351 CH2 TRP A 21 -4.565 -7.358 -32.148 1.00 74.23 C ATOM 0 H TRP A 21 -6.544 -3.125 -26.933 1.00 21.20 H new ATOM 0 HA TRP A 21 -5.358 -5.776 -27.525 1.00 34.41 H new ATOM 0 HB2 TRP A 21 -4.147 -2.993 -27.684 1.00 62.25 H new ATOM 0 HB3 TRP A 21 -3.178 -4.452 -27.639 1.00 62.25 H new ATOM 0 HD1 TRP A 21 -4.371 -2.136 -30.107 1.00 43.43 H new ATOM 0 HE1 TRP A 21 -4.609 -3.173 -32.465 1.00 11.02 H new ATOM 0 HE3 TRP A 21 -4.223 -7.067 -28.774 1.00 25.11 H new ATOM 0 HZ2 TRP A 21 -4.716 -5.761 -33.561 1.00 62.12 H new ATOM 0 HZ3 TRP A 21 -4.399 -8.773 -30.540 1.00 60.53 H new ATOM 0 HH2 TRP A 21 -4.638 -8.127 -32.903 1.00 74.23 H new ATOM 362 N PRO A 22 -4.062 -5.846 -25.318 1.00 44.22 N ATOM 363 CA PRO A 22 -3.605 -6.049 -23.940 1.00 12.50 C ATOM 364 C PRO A 22 -2.612 -4.980 -23.495 1.00 34.10 C ATOM 365 O PRO A 22 -1.896 -4.406 -24.313 1.00 44.43 O ATOM 366 CB PRO A 22 -2.928 -7.421 -23.989 1.00 12.53 C ATOM 367 CG PRO A 22 -2.503 -7.583 -25.407 1.00 44.21 C ATOM 368 CD PRO A 22 -3.539 -6.874 -26.234 1.00 50.41 C ATOM 0 HA PRO A 22 -4.426 -5.989 -23.225 1.00 12.50 H new ATOM 0 HB2 PRO A 22 -2.075 -7.466 -23.312 1.00 12.53 H new ATOM 0 HB3 PRO A 22 -3.615 -8.212 -23.689 1.00 12.53 H new ATOM 0 HG2 PRO A 22 -1.514 -7.154 -25.569 1.00 44.21 H new ATOM 0 HG3 PRO A 22 -2.442 -8.637 -25.678 1.00 44.21 H new ATOM 0 HD2 PRO A 22 -3.104 -6.430 -27.129 1.00 50.41 H new ATOM 0 HD3 PRO A 22 -4.324 -7.554 -26.565 1.00 50.41 H new ATOM 376 N GLY A 23 -2.576 -4.719 -22.192 1.00 4.42 N ATOM 377 CA GLY A 23 -1.667 -3.720 -21.661 1.00 4.40 C ATOM 378 C GLY A 23 -1.445 -3.872 -20.169 1.00 41.22 C ATOM 379 O GLY A 23 -2.398 -4.019 -19.404 1.00 54.13 O ATOM 0 H GLY A 23 -3.160 -5.181 -21.495 1.00 4.42 H new ATOM 0 HA2 GLY A 23 -0.710 -3.794 -22.177 1.00 4.40 H new ATOM 0 HA3 GLY A 23 -2.064 -2.726 -21.867 1.00 4.40 H new ATOM 383 N PHE A 24 -0.183 -3.838 -19.754 1.00 31.13 N ATOM 384 CA PHE A 24 0.161 -3.976 -18.343 1.00 63.14 C ATOM 385 C PHE A 24 0.050 -2.636 -17.623 1.00 15.15 C ATOM 386 O PHE A 24 0.593 -1.628 -18.074 1.00 50.14 O ATOM 387 CB PHE A 24 1.579 -4.531 -18.195 1.00 24.21 C ATOM 388 CG PHE A 24 1.690 -5.630 -17.176 1.00 54.43 C ATOM 389 CD1 PHE A 24 2.591 -5.533 -16.128 1.00 53.23 C ATOM 390 CD2 PHE A 24 0.892 -6.759 -17.267 1.00 63.22 C ATOM 391 CE1 PHE A 24 2.694 -6.542 -15.189 1.00 44.50 C ATOM 392 CE2 PHE A 24 0.991 -7.771 -16.331 1.00 2.22 C ATOM 393 CZ PHE A 24 1.894 -7.662 -15.291 1.00 61.52 C ATOM 0 H PHE A 24 0.618 -3.716 -20.374 1.00 31.13 H new ATOM 0 HA PHE A 24 -0.544 -4.672 -17.889 1.00 63.14 H new ATOM 0 HB2 PHE A 24 1.916 -4.907 -19.161 1.00 24.21 H new ATOM 0 HB3 PHE A 24 2.251 -3.719 -17.917 1.00 24.21 H new ATOM 0 HD1 PHE A 24 3.220 -4.659 -16.044 1.00 53.23 H new ATOM 0 HD2 PHE A 24 0.185 -6.849 -18.078 1.00 63.22 H new ATOM 0 HE1 PHE A 24 3.400 -6.454 -14.376 1.00 44.50 H new ATOM 0 HE2 PHE A 24 0.363 -8.646 -16.412 1.00 2.22 H new ATOM 0 HZ PHE A 24 1.974 -8.452 -14.559 1.00 61.52 H new ATOM 403 N VAL A 25 -0.660 -2.633 -16.498 1.00 50.35 N ATOM 404 CA VAL A 25 -0.844 -1.418 -15.714 1.00 4.32 C ATOM 405 C VAL A 25 0.362 -1.154 -14.819 1.00 2.10 C ATOM 406 O VAL A 25 0.678 -1.950 -13.935 1.00 52.11 O ATOM 407 CB VAL A 25 -2.109 -1.500 -14.840 1.00 13.21 C ATOM 408 CG1 VAL A 25 -2.272 -0.232 -14.015 1.00 22.43 C ATOM 409 CG2 VAL A 25 -3.337 -1.745 -15.704 1.00 15.44 C ATOM 0 H VAL A 25 -1.117 -3.458 -16.110 1.00 50.35 H new ATOM 0 HA VAL A 25 -0.954 -0.597 -16.423 1.00 4.32 H new ATOM 0 HB VAL A 25 -2.002 -2.340 -14.153 1.00 13.21 H new ATOM 0 HG11 VAL A 25 -3.171 -0.309 -13.404 1.00 22.43 H new ATOM 0 HG12 VAL A 25 -1.404 -0.104 -13.369 1.00 22.43 H new ATOM 0 HG13 VAL A 25 -2.358 0.627 -14.681 1.00 22.43 H new ATOM 0 HG21 VAL A 25 -4.222 -1.800 -15.071 1.00 15.44 H new ATOM 0 HG22 VAL A 25 -3.450 -0.927 -16.415 1.00 15.44 H new ATOM 0 HG23 VAL A 25 -3.219 -2.683 -16.246 1.00 15.44 H new ATOM 419 N MET A 26 1.032 -0.031 -15.054 1.00 44.44 N ATOM 420 CA MET A 26 2.203 0.339 -14.268 1.00 4.21 C ATOM 421 C MET A 26 2.154 1.814 -13.880 1.00 63.31 C ATOM 422 O MET A 26 1.739 2.660 -14.672 1.00 33.11 O ATOM 423 CB MET A 26 3.484 0.049 -15.053 1.00 20.31 C ATOM 424 CG MET A 26 3.685 -1.426 -15.363 1.00 42.45 C ATOM 425 SD MET A 26 5.407 -1.939 -15.212 1.00 0.24 S ATOM 426 CE MET A 26 5.851 -2.147 -16.934 1.00 63.32 C ATOM 0 H MET A 26 0.784 0.639 -15.782 1.00 44.44 H new ATOM 0 HA MET A 26 2.201 -0.259 -13.357 1.00 4.21 H new ATOM 0 HB2 MET A 26 3.462 0.609 -15.988 1.00 20.31 H new ATOM 0 HB3 MET A 26 4.340 0.412 -14.484 1.00 20.31 H new ATOM 0 HG2 MET A 26 3.072 -2.022 -14.687 1.00 42.45 H new ATOM 0 HG3 MET A 26 3.336 -1.631 -16.375 1.00 42.45 H new ATOM 0 HE1 MET A 26 6.891 -2.464 -17.006 1.00 63.32 H new ATOM 0 HE2 MET A 26 5.209 -2.903 -17.386 1.00 63.32 H new ATOM 0 HE3 MET A 26 5.723 -1.201 -17.460 1.00 63.32 H new ATOM 436 N ASP A 27 2.580 2.114 -12.658 1.00 64.22 N ATOM 437 CA ASP A 27 2.586 3.487 -12.166 1.00 34.40 C ATOM 438 C ASP A 27 3.855 4.214 -12.597 1.00 63.33 C ATOM 439 O ASP A 27 4.940 3.634 -12.664 1.00 54.40 O ATOM 440 CB ASP A 27 2.466 3.505 -10.641 1.00 75.33 C ATOM 441 CG ASP A 27 3.773 3.163 -9.954 1.00 12.24 C ATOM 442 OD1 ASP A 27 4.675 4.027 -9.931 1.00 31.22 O ATOM 443 OD2 ASP A 27 3.893 2.033 -9.437 1.00 64.34 O ATOM 0 H ASP A 27 2.926 1.425 -11.990 1.00 64.22 H new ATOM 0 HA ASP A 27 1.729 4.005 -12.597 1.00 34.40 H new ATOM 0 HB2 ASP A 27 2.136 4.492 -10.317 1.00 75.33 H new ATOM 0 HB3 ASP A 27 1.699 2.795 -10.331 1.00 75.33 H new ATOM 448 N PRO A 28 3.720 5.514 -12.899 1.00 32.34 N ATOM 449 CA PRO A 28 4.846 6.348 -13.329 1.00 75.04 C ATOM 450 C PRO A 28 5.836 6.612 -12.201 1.00 5.20 C ATOM 451 O PRO A 28 7.046 6.660 -12.423 1.00 65.22 O ATOM 452 CB PRO A 28 4.174 7.652 -13.767 1.00 74.22 C ATOM 453 CG PRO A 28 2.899 7.698 -12.997 1.00 41.23 C ATOM 454 CD PRO A 28 2.457 6.269 -12.841 1.00 42.44 C ATOM 0 HA PRO A 28 5.431 5.869 -14.114 1.00 75.04 H new ATOM 0 HB2 PRO A 28 4.802 8.515 -13.545 1.00 74.22 H new ATOM 0 HB3 PRO A 28 3.988 7.660 -14.841 1.00 74.22 H new ATOM 0 HG2 PRO A 28 3.047 8.169 -12.025 1.00 41.23 H new ATOM 0 HG3 PRO A 28 2.146 8.284 -13.524 1.00 41.23 H new ATOM 0 HD2 PRO A 28 1.937 6.110 -11.897 1.00 42.44 H new ATOM 0 HD3 PRO A 28 1.773 5.971 -13.636 1.00 42.44 H new ATOM 462 N ASP A 29 5.316 6.783 -10.991 1.00 30.32 N ATOM 463 CA ASP A 29 6.156 7.041 -9.827 1.00 33.53 C ATOM 464 C ASP A 29 5.309 7.175 -8.565 1.00 31.01 C ATOM 465 O ASP A 29 5.548 8.054 -7.737 1.00 75.42 O ATOM 466 CB ASP A 29 6.982 8.310 -10.039 1.00 24.34 C ATOM 467 CG ASP A 29 8.401 8.170 -9.521 1.00 74.03 C ATOM 468 OD1 ASP A 29 8.648 7.255 -8.708 1.00 65.12 O ATOM 469 OD2 ASP A 29 9.263 8.975 -9.930 1.00 51.13 O ATOM 0 H ASP A 29 4.317 6.748 -10.790 1.00 30.32 H new ATOM 0 HA ASP A 29 6.831 6.194 -9.702 1.00 33.53 H new ATOM 0 HB2 ASP A 29 7.008 8.550 -11.102 1.00 24.34 H new ATOM 0 HB3 ASP A 29 6.495 9.145 -9.536 1.00 24.34 H new ATOM 474 N GLU A 30 4.319 6.299 -8.426 1.00 71.54 N ATOM 475 CA GLU A 30 3.436 6.322 -7.266 1.00 71.42 C ATOM 476 C GLU A 30 2.623 7.612 -7.227 1.00 10.41 C ATOM 477 O GLU A 30 2.818 8.456 -6.352 1.00 5.11 O ATOM 478 CB GLU A 30 4.247 6.177 -5.977 1.00 3.50 C ATOM 479 CG GLU A 30 5.262 5.048 -6.020 1.00 23.43 C ATOM 480 CD GLU A 30 6.060 4.931 -4.735 1.00 72.13 C ATOM 481 OE1 GLU A 30 6.947 5.780 -4.510 1.00 3.25 O ATOM 482 OE2 GLU A 30 5.797 3.991 -3.956 1.00 61.15 O ATOM 0 H GLU A 30 4.108 5.565 -9.102 1.00 71.54 H new ATOM 0 HA GLU A 30 2.747 5.482 -7.349 1.00 71.42 H new ATOM 0 HB2 GLU A 30 4.767 7.114 -5.778 1.00 3.50 H new ATOM 0 HB3 GLU A 30 3.564 6.008 -5.145 1.00 3.50 H new ATOM 0 HG2 GLU A 30 4.745 4.107 -6.209 1.00 23.43 H new ATOM 0 HG3 GLU A 30 5.945 5.210 -6.854 1.00 23.43 H new ATOM 489 N VAL A 31 1.710 7.759 -8.182 1.00 1.31 N ATOM 490 CA VAL A 31 0.867 8.946 -8.257 1.00 54.22 C ATOM 491 C VAL A 31 -0.432 8.748 -7.483 1.00 62.53 C ATOM 492 O VAL A 31 -1.270 9.647 -7.416 1.00 22.14 O ATOM 493 CB VAL A 31 0.531 9.305 -9.717 1.00 65.11 C ATOM 494 CG1 VAL A 31 1.781 9.759 -10.456 1.00 1.32 C ATOM 495 CG2 VAL A 31 -0.114 8.121 -10.422 1.00 25.04 C ATOM 0 H VAL A 31 1.535 7.071 -8.914 1.00 1.31 H new ATOM 0 HA VAL A 31 1.432 9.764 -7.810 1.00 54.22 H new ATOM 0 HB VAL A 31 -0.182 10.130 -9.715 1.00 65.11 H new ATOM 0 HG11 VAL A 31 1.525 10.008 -11.486 1.00 1.32 H new ATOM 0 HG12 VAL A 31 2.196 10.638 -9.963 1.00 1.32 H new ATOM 0 HG13 VAL A 31 2.519 8.957 -10.450 1.00 1.32 H new ATOM 0 HG21 VAL A 31 -0.345 8.392 -11.452 1.00 25.04 H new ATOM 0 HG22 VAL A 31 0.573 7.275 -10.415 1.00 25.04 H new ATOM 0 HG23 VAL A 31 -1.033 7.846 -9.905 1.00 25.04 H new ATOM 505 N ARG A 32 -0.592 7.564 -6.900 1.00 64.14 N ATOM 506 CA ARG A 32 -1.789 7.247 -6.131 1.00 62.52 C ATOM 507 C ARG A 32 -1.797 7.999 -4.804 1.00 34.23 C ATOM 508 O ARG A 32 -2.858 8.332 -4.275 1.00 1.15 O ATOM 509 CB ARG A 32 -1.873 5.740 -5.877 1.00 2.44 C ATOM 510 CG ARG A 32 -3.237 5.280 -5.390 1.00 54.15 C ATOM 511 CD ARG A 32 -3.169 4.735 -3.973 1.00 22.15 C ATOM 512 NE ARG A 32 -4.304 5.170 -3.163 1.00 40.13 N ATOM 513 CZ ARG A 32 -4.334 5.093 -1.837 1.00 43.45 C ATOM 514 NH1 ARG A 32 -3.296 4.601 -1.175 1.00 41.22 N ATOM 515 NH2 ARG A 32 -5.403 5.510 -1.171 1.00 71.14 N ATOM 0 H ARG A 32 0.092 6.809 -6.946 1.00 64.14 H new ATOM 0 HA ARG A 32 -2.657 7.560 -6.711 1.00 62.52 H new ATOM 0 HB2 ARG A 32 -1.628 5.211 -6.798 1.00 2.44 H new ATOM 0 HB3 ARG A 32 -1.120 5.462 -5.139 1.00 2.44 H new ATOM 0 HG2 ARG A 32 -3.938 6.114 -5.427 1.00 54.15 H new ATOM 0 HG3 ARG A 32 -3.622 4.510 -6.059 1.00 54.15 H new ATOM 0 HD2 ARG A 32 -3.143 3.646 -4.005 1.00 22.15 H new ATOM 0 HD3 ARG A 32 -2.242 5.063 -3.503 1.00 22.15 H new ATOM 0 HE ARG A 32 -5.119 5.554 -3.642 1.00 40.13 H new ATOM 0 HH11 ARG A 32 -2.472 4.281 -1.684 1.00 41.22 H new ATOM 0 HH12 ARG A 32 -3.321 4.543 -0.157 1.00 41.22 H new ATOM 0 HH21 ARG A 32 -6.203 5.890 -1.677 1.00 71.14 H new ATOM 0 HH22 ARG A 32 -5.425 5.450 -0.153 1.00 71.14 H new ATOM 529 N ASP A 33 -0.609 8.262 -4.271 1.00 52.33 N ATOM 530 CA ASP A 33 -0.479 8.976 -3.006 1.00 74.40 C ATOM 531 C ASP A 33 -0.045 10.419 -3.238 1.00 52.42 C ATOM 532 O ASP A 33 -0.441 11.323 -2.501 1.00 22.11 O ATOM 533 CB ASP A 33 0.527 8.267 -2.098 1.00 14.24 C ATOM 534 CG ASP A 33 -0.103 7.774 -0.810 1.00 34.40 C ATOM 535 OD1 ASP A 33 -0.236 6.542 -0.648 1.00 12.21 O ATOM 536 OD2 ASP A 33 -0.463 8.619 0.036 1.00 21.40 O ATOM 0 H ASP A 33 0.278 7.991 -4.695 1.00 52.33 H new ATOM 0 HA ASP A 33 -1.454 8.984 -2.519 1.00 74.40 H new ATOM 0 HB2 ASP A 33 0.962 7.423 -2.633 1.00 14.24 H new ATOM 0 HB3 ASP A 33 1.343 8.950 -1.862 1.00 14.24 H new ATOM 541 N ILE A 34 0.771 10.628 -4.266 1.00 13.51 N ATOM 542 CA ILE A 34 1.258 11.962 -4.594 1.00 42.25 C ATOM 543 C ILE A 34 0.737 12.419 -5.953 1.00 31.12 C ATOM 544 O ILE A 34 1.137 11.895 -6.993 1.00 23.22 O ATOM 545 CB ILE A 34 2.797 12.012 -4.605 1.00 5.33 C ATOM 546 CG1 ILE A 34 3.358 11.399 -3.320 1.00 30.11 C ATOM 547 CG2 ILE A 34 3.280 13.446 -4.768 1.00 33.11 C ATOM 548 CD1 ILE A 34 3.903 10.000 -3.506 1.00 1.22 C ATOM 0 H ILE A 34 1.108 9.891 -4.885 1.00 13.51 H new ATOM 0 HA ILE A 34 0.886 12.633 -3.820 1.00 42.25 H new ATOM 0 HB ILE A 34 3.158 11.429 -5.452 1.00 5.33 H new ATOM 0 HG12 ILE A 34 4.151 12.041 -2.937 1.00 30.11 H new ATOM 0 HG13 ILE A 34 2.573 11.377 -2.565 1.00 30.11 H new ATOM 0 HG21 ILE A 34 4.370 13.464 -4.774 1.00 33.11 H new ATOM 0 HG22 ILE A 34 2.905 13.852 -5.708 1.00 33.11 H new ATOM 0 HG23 ILE A 34 2.911 14.051 -3.939 1.00 33.11 H new ATOM 0 HD11 ILE A 34 4.284 9.628 -2.555 1.00 1.22 H new ATOM 0 HD12 ILE A 34 3.108 9.344 -3.860 1.00 1.22 H new ATOM 0 HD13 ILE A 34 4.711 10.018 -4.238 1.00 1.22 H new ATOM 560 N THR A 35 -0.159 13.402 -5.937 1.00 64.51 N ATOM 561 CA THR A 35 -0.735 13.930 -7.167 1.00 2.21 C ATOM 562 C THR A 35 -0.024 15.206 -7.603 1.00 64.12 C ATOM 563 O THR A 35 -0.239 16.276 -7.031 1.00 63.44 O ATOM 564 CB THR A 35 -2.238 14.225 -7.002 1.00 23.40 C ATOM 565 OG1 THR A 35 -2.433 15.233 -6.004 1.00 42.35 O ATOM 566 CG2 THR A 35 -2.996 12.965 -6.612 1.00 32.02 C ATOM 0 H THR A 35 -0.501 13.848 -5.086 1.00 64.51 H new ATOM 0 HA THR A 35 -0.604 13.164 -7.932 1.00 2.21 H new ATOM 0 HB THR A 35 -2.623 14.581 -7.957 1.00 23.40 H new ATOM 0 HG1 THR A 35 -1.785 15.956 -6.138 1.00 42.35 H new ATOM 0 HG21 THR A 35 -4.055 13.197 -6.501 1.00 32.02 H new ATOM 0 HG22 THR A 35 -2.869 12.210 -7.388 1.00 32.02 H new ATOM 0 HG23 THR A 35 -2.607 12.584 -5.668 1.00 32.02 H new ATOM 574 N LEU A 36 0.824 15.087 -8.619 1.00 52.24 N ATOM 575 CA LEU A 36 1.567 16.232 -9.134 1.00 0.44 C ATOM 576 C LEU A 36 1.166 16.540 -10.573 1.00 12.23 C ATOM 577 O LEU A 36 0.725 15.667 -11.320 1.00 50.15 O ATOM 578 CB LEU A 36 3.071 15.965 -9.058 1.00 2.05 C ATOM 579 CG LEU A 36 3.861 16.843 -8.086 1.00 53.00 C ATOM 580 CD1 LEU A 36 4.113 16.103 -6.782 1.00 32.23 C ATOM 581 CD2 LEU A 36 5.175 17.284 -8.713 1.00 50.45 C ATOM 0 H LEU A 36 1.014 14.209 -9.102 1.00 52.24 H new ATOM 0 HA LEU A 36 1.326 17.097 -8.516 1.00 0.44 H new ATOM 0 HB2 LEU A 36 3.221 14.922 -8.778 1.00 2.05 H new ATOM 0 HB3 LEU A 36 3.493 16.091 -10.055 1.00 2.05 H new ATOM 0 HG LEU A 36 3.269 17.732 -7.867 1.00 53.00 H new ATOM 0 HD11 LEU A 36 4.676 16.743 -6.103 1.00 32.23 H new ATOM 0 HD12 LEU A 36 3.160 15.838 -6.324 1.00 32.23 H new ATOM 0 HD13 LEU A 36 4.684 15.196 -6.983 1.00 32.23 H new ATOM 0 HD21 LEU A 36 5.724 17.908 -8.007 1.00 50.45 H new ATOM 0 HD22 LEU A 36 5.772 16.407 -8.962 1.00 50.45 H new ATOM 0 HD23 LEU A 36 4.972 17.854 -9.620 1.00 50.45 H new ATOM 593 N PRO A 37 1.323 17.811 -10.972 1.00 63.13 N ATOM 594 CA PRO A 37 0.986 18.263 -12.325 1.00 60.24 C ATOM 595 C PRO A 37 1.943 17.711 -13.376 1.00 71.44 C ATOM 596 O PRO A 37 3.161 17.774 -13.213 1.00 71.15 O ATOM 597 CB PRO A 37 1.114 19.785 -12.233 1.00 51.30 C ATOM 598 CG PRO A 37 2.074 20.018 -11.118 1.00 32.12 C ATOM 599 CD PRO A 37 1.843 18.904 -10.134 1.00 44.21 C ATOM 0 HA PRO A 37 -0.002 17.922 -12.634 1.00 60.24 H new ATOM 0 HB2 PRO A 37 1.482 20.208 -13.167 1.00 51.30 H new ATOM 0 HB3 PRO A 37 0.150 20.252 -12.030 1.00 51.30 H new ATOM 0 HG2 PRO A 37 3.102 20.012 -11.480 1.00 32.12 H new ATOM 0 HG3 PRO A 37 1.905 20.990 -10.654 1.00 32.12 H new ATOM 0 HD2 PRO A 37 2.765 18.618 -9.627 1.00 44.21 H new ATOM 0 HD3 PRO A 37 1.130 19.192 -9.361 1.00 44.21 H new ATOM 607 N GLU A 38 1.383 17.170 -14.454 1.00 41.02 N ATOM 608 CA GLU A 38 2.189 16.607 -15.531 1.00 75.43 C ATOM 609 C GLU A 38 1.318 16.251 -16.733 1.00 33.42 C ATOM 610 O GLU A 38 1.427 16.861 -17.795 1.00 41.02 O ATOM 611 CB GLU A 38 2.936 15.364 -15.043 1.00 33.11 C ATOM 612 CG GLU A 38 4.438 15.563 -14.926 1.00 55.31 C ATOM 613 CD GLU A 38 5.221 14.314 -15.279 1.00 42.24 C ATOM 614 OE1 GLU A 38 5.908 13.774 -14.387 1.00 64.34 O ATOM 615 OE2 GLU A 38 5.148 13.877 -16.447 1.00 12.42 O ATOM 0 H GLU A 38 0.376 17.110 -14.604 1.00 41.02 H new ATOM 0 HA GLU A 38 2.914 17.360 -15.839 1.00 75.43 H new ATOM 0 HB2 GLU A 38 2.540 15.071 -14.071 1.00 33.11 H new ATOM 0 HB3 GLU A 38 2.740 14.540 -15.729 1.00 33.11 H new ATOM 0 HG2 GLU A 38 4.745 16.377 -15.582 1.00 55.31 H new ATOM 0 HG3 GLU A 38 4.683 15.865 -13.908 1.00 55.31 H new ATOM 622 N GLY A 39 0.452 15.257 -16.555 1.00 64.45 N ATOM 623 CA GLY A 39 -0.424 14.835 -17.633 1.00 11.25 C ATOM 624 C GLY A 39 -0.456 13.329 -17.798 1.00 75.20 C ATOM 625 O GLY A 39 -1.198 12.805 -18.629 1.00 33.42 O ATOM 0 H GLY A 39 0.342 14.737 -15.684 1.00 64.45 H new ATOM 0 HA2 GLY A 39 -1.434 15.198 -17.440 1.00 11.25 H new ATOM 0 HA3 GLY A 39 -0.094 15.293 -18.566 1.00 11.25 H new ATOM 629 N SER A 40 0.351 12.631 -17.006 1.00 64.44 N ATOM 630 CA SER A 40 0.416 11.175 -17.073 1.00 4.31 C ATOM 631 C SER A 40 0.437 10.568 -15.673 1.00 73.05 C ATOM 632 O SER A 40 1.439 10.649 -14.964 1.00 5.51 O ATOM 633 CB SER A 40 1.658 10.734 -17.851 1.00 12.23 C ATOM 634 OG SER A 40 2.682 11.710 -17.772 1.00 24.12 O ATOM 0 H SER A 40 0.969 13.049 -16.311 1.00 64.44 H new ATOM 0 HA SER A 40 -0.474 10.819 -17.592 1.00 4.31 H new ATOM 0 HB2 SER A 40 2.023 9.787 -17.454 1.00 12.23 H new ATOM 0 HB3 SER A 40 1.395 10.562 -18.895 1.00 12.23 H new ATOM 0 HG SER A 40 3.465 11.404 -18.275 1.00 24.12 H new ATOM 640 N ASP A 41 -0.678 9.959 -15.284 1.00 2.34 N ATOM 641 CA ASP A 41 -0.789 9.337 -13.970 1.00 34.54 C ATOM 642 C ASP A 41 -0.715 7.817 -14.080 1.00 65.14 C ATOM 643 O ASP A 41 -0.293 7.136 -13.146 1.00 22.24 O ATOM 644 CB ASP A 41 -2.100 9.747 -13.297 1.00 0.34 C ATOM 645 CG ASP A 41 -3.214 8.748 -13.541 1.00 10.53 C ATOM 646 OD1 ASP A 41 -3.765 8.220 -12.552 1.00 11.40 O ATOM 647 OD2 ASP A 41 -3.535 8.495 -14.720 1.00 55.44 O ATOM 0 H ASP A 41 -1.517 9.883 -15.859 1.00 2.34 H new ATOM 0 HA ASP A 41 0.047 9.681 -13.361 1.00 34.54 H new ATOM 0 HB2 ASP A 41 -1.937 9.850 -12.224 1.00 0.34 H new ATOM 0 HB3 ASP A 41 -2.405 10.725 -13.669 1.00 0.34 H new ATOM 652 N VAL A 42 -1.128 7.291 -15.229 1.00 43.23 N ATOM 653 CA VAL A 42 -1.108 5.852 -15.463 1.00 5.14 C ATOM 654 C VAL A 42 -0.295 5.508 -16.706 1.00 5.34 C ATOM 655 O VAL A 42 -0.383 6.191 -17.726 1.00 74.11 O ATOM 656 CB VAL A 42 -2.532 5.290 -15.623 1.00 34.53 C ATOM 657 CG1 VAL A 42 -2.490 3.789 -15.867 1.00 22.34 C ATOM 658 CG2 VAL A 42 -3.374 5.615 -14.398 1.00 51.31 C ATOM 0 H VAL A 42 -1.481 7.840 -16.013 1.00 43.23 H new ATOM 0 HA VAL A 42 -0.641 5.396 -14.590 1.00 5.14 H new ATOM 0 HB VAL A 42 -2.994 5.762 -16.490 1.00 34.53 H new ATOM 0 HG11 VAL A 42 -3.506 3.410 -15.978 1.00 22.34 H new ATOM 0 HG12 VAL A 42 -1.925 3.584 -16.776 1.00 22.34 H new ATOM 0 HG13 VAL A 42 -2.009 3.296 -15.022 1.00 22.34 H new ATOM 0 HG21 VAL A 42 -4.378 5.210 -14.528 1.00 51.31 H new ATOM 0 HG22 VAL A 42 -2.916 5.172 -13.514 1.00 51.31 H new ATOM 0 HG23 VAL A 42 -3.432 6.696 -14.273 1.00 51.31 H new ATOM 668 N TRP A 43 0.497 4.446 -16.612 1.00 71.15 N ATOM 669 CA TRP A 43 1.326 4.011 -17.731 1.00 23.45 C ATOM 670 C TRP A 43 0.922 2.617 -18.198 1.00 74.02 C ATOM 671 O TRP A 43 1.086 1.636 -17.473 1.00 13.14 O ATOM 672 CB TRP A 43 2.803 4.019 -17.331 1.00 14.32 C ATOM 673 CG TRP A 43 3.705 4.554 -18.402 1.00 12.14 C ATOM 674 CD1 TRP A 43 3.480 4.532 -19.749 1.00 5.44 C ATOM 675 CD2 TRP A 43 4.975 5.188 -18.214 1.00 71.34 C ATOM 676 NE1 TRP A 43 4.535 5.115 -20.410 1.00 72.51 N ATOM 677 CE2 TRP A 43 5.464 5.525 -19.492 1.00 1.55 C ATOM 678 CE3 TRP A 43 5.746 5.505 -17.093 1.00 34.43 C ATOM 679 CZ2 TRP A 43 6.689 6.162 -19.675 1.00 14.43 C ATOM 680 CZ3 TRP A 43 6.961 6.136 -17.276 1.00 53.52 C ATOM 681 CH2 TRP A 43 7.422 6.461 -18.559 1.00 24.31 C ATOM 0 H TRP A 43 0.583 3.871 -15.774 1.00 71.15 H new ATOM 0 HA TRP A 43 1.175 4.708 -18.555 1.00 23.45 H new ATOM 0 HB2 TRP A 43 2.925 4.620 -16.430 1.00 14.32 H new ATOM 0 HB3 TRP A 43 3.110 3.003 -17.081 1.00 14.32 H new ATOM 0 HD1 TRP A 43 2.603 4.118 -20.224 1.00 5.44 H new ATOM 0 HE1 TRP A 43 4.613 5.224 -21.421 1.00 72.51 H new ATOM 0 HE3 TRP A 43 5.398 5.261 -16.100 1.00 34.43 H new ATOM 0 HZ2 TRP A 43 7.048 6.411 -20.663 1.00 14.43 H new ATOM 0 HZ3 TRP A 43 7.566 6.383 -16.416 1.00 53.52 H new ATOM 0 HH2 TRP A 43 8.375 6.957 -18.669 1.00 24.31 H new ATOM 692 N VAL A 44 0.392 2.536 -19.415 1.00 2.12 N ATOM 693 CA VAL A 44 -0.035 1.261 -19.980 1.00 3.54 C ATOM 694 C VAL A 44 0.996 0.725 -20.967 1.00 12.22 C ATOM 695 O VAL A 44 1.247 1.333 -22.008 1.00 64.54 O ATOM 696 CB VAL A 44 -1.394 1.390 -20.693 1.00 1.55 C ATOM 697 CG1 VAL A 44 -1.837 0.045 -21.246 1.00 23.42 C ATOM 698 CG2 VAL A 44 -2.440 1.957 -19.745 1.00 14.11 C ATOM 0 H VAL A 44 0.248 3.338 -20.028 1.00 2.12 H new ATOM 0 HA VAL A 44 -0.135 0.563 -19.148 1.00 3.54 H new ATOM 0 HB VAL A 44 -1.282 2.080 -21.529 1.00 1.55 H new ATOM 0 HG11 VAL A 44 -2.799 0.156 -21.746 1.00 23.42 H new ATOM 0 HG12 VAL A 44 -1.097 -0.317 -21.960 1.00 23.42 H new ATOM 0 HG13 VAL A 44 -1.933 -0.670 -20.429 1.00 23.42 H new ATOM 0 HG21 VAL A 44 -3.394 2.042 -20.265 1.00 14.11 H new ATOM 0 HG22 VAL A 44 -2.551 1.294 -18.887 1.00 14.11 H new ATOM 0 HG23 VAL A 44 -2.125 2.943 -19.403 1.00 14.11 H new ATOM 708 N CYS A 45 1.589 -0.416 -20.633 1.00 54.32 N ATOM 709 CA CYS A 45 2.593 -1.035 -21.491 1.00 1.23 C ATOM 710 C CYS A 45 1.975 -2.137 -22.344 1.00 74.13 C ATOM 711 O CYS A 45 1.796 -3.266 -21.884 1.00 43.45 O ATOM 712 CB CYS A 45 3.733 -1.606 -20.646 1.00 32.01 C ATOM 713 SG CYS A 45 5.104 -2.279 -21.614 1.00 53.01 S ATOM 0 H CYS A 45 1.392 -0.931 -19.775 1.00 54.32 H new ATOM 0 HA CYS A 45 2.991 -0.268 -22.155 1.00 1.23 H new ATOM 0 HB2 CYS A 45 4.114 -0.822 -19.992 1.00 32.01 H new ATOM 0 HB3 CYS A 45 3.336 -2.392 -20.003 1.00 32.01 H new ATOM 0 HG CYS A 45 6.019 -2.736 -20.811 1.00 53.01 H new ATOM 719 N CYS A 46 1.648 -1.802 -23.588 1.00 22.25 N ATOM 720 CA CYS A 46 1.047 -2.763 -24.505 1.00 73.33 C ATOM 721 C CYS A 46 2.072 -3.797 -24.959 1.00 21.34 C ATOM 722 O CYS A 46 3.256 -3.698 -24.633 1.00 11.02 O ATOM 723 CB CYS A 46 0.461 -2.042 -25.720 1.00 35.11 C ATOM 724 SG CYS A 46 -0.906 -0.926 -25.327 1.00 13.43 S ATOM 0 H CYS A 46 1.789 -0.873 -23.984 1.00 22.25 H new ATOM 0 HA CYS A 46 0.246 -3.280 -23.976 1.00 73.33 H new ATOM 0 HB2 CYS A 46 1.252 -1.473 -26.208 1.00 35.11 H new ATOM 0 HB3 CYS A 46 0.114 -2.785 -26.438 1.00 35.11 H new ATOM 0 HG CYS A 46 -1.333 -0.362 -26.418 1.00 13.43 H new ATOM 730 N LEU A 47 1.610 -4.790 -25.710 1.00 63.44 N ATOM 731 CA LEU A 47 2.487 -5.845 -26.208 1.00 20.02 C ATOM 732 C LEU A 47 3.477 -5.294 -27.229 1.00 54.23 C ATOM 733 O LEU A 47 3.262 -4.243 -27.834 1.00 31.01 O ATOM 734 CB LEU A 47 1.661 -6.968 -26.836 1.00 75.41 C ATOM 735 CG LEU A 47 1.479 -6.901 -28.353 1.00 3.31 C ATOM 736 CD1 LEU A 47 0.683 -8.097 -28.849 1.00 72.33 C ATOM 737 CD2 LEU A 47 0.796 -5.601 -28.751 1.00 11.41 C ATOM 0 H LEU A 47 0.633 -4.887 -25.988 1.00 63.44 H new ATOM 0 HA LEU A 47 3.049 -6.244 -25.364 1.00 20.02 H new ATOM 0 HB2 LEU A 47 2.131 -7.920 -26.588 1.00 75.41 H new ATOM 0 HB3 LEU A 47 0.675 -6.970 -26.372 1.00 75.41 H new ATOM 0 HG LEU A 47 2.464 -6.928 -28.819 1.00 3.31 H new ATOM 0 HD11 LEU A 47 0.564 -8.032 -29.930 1.00 72.33 H new ATOM 0 HD12 LEU A 47 1.212 -9.016 -28.597 1.00 72.33 H new ATOM 0 HD13 LEU A 47 -0.299 -8.102 -28.376 1.00 72.33 H new ATOM 0 HD21 LEU A 47 0.675 -5.570 -29.834 1.00 11.41 H new ATOM 0 HD22 LEU A 47 -0.183 -5.543 -28.274 1.00 11.41 H new ATOM 0 HD23 LEU A 47 1.406 -4.757 -28.430 1.00 11.41 H new ATOM 749 N PRO A 48 4.587 -6.020 -27.429 1.00 53.45 N ATOM 750 CA PRO A 48 5.630 -5.624 -28.380 1.00 24.11 C ATOM 751 C PRO A 48 5.171 -5.746 -29.829 1.00 23.31 C ATOM 752 O PRO A 48 5.013 -6.851 -30.349 1.00 22.03 O ATOM 753 CB PRO A 48 6.764 -6.612 -28.093 1.00 41.21 C ATOM 754 CG PRO A 48 6.088 -7.807 -27.515 1.00 2.34 C ATOM 755 CD PRO A 48 4.908 -7.282 -26.744 1.00 23.43 C ATOM 0 HA PRO A 48 5.915 -4.579 -28.260 1.00 24.11 H new ATOM 0 HB2 PRO A 48 7.307 -6.866 -29.003 1.00 41.21 H new ATOM 0 HB3 PRO A 48 7.489 -6.191 -27.396 1.00 41.21 H new ATOM 0 HG2 PRO A 48 5.768 -8.492 -28.300 1.00 2.34 H new ATOM 0 HG3 PRO A 48 6.764 -8.361 -26.864 1.00 2.34 H new ATOM 0 HD2 PRO A 48 4.069 -7.978 -26.770 1.00 23.43 H new ATOM 0 HD3 PRO A 48 5.154 -7.118 -25.695 1.00 23.43 H new ATOM 763 N ARG A 49 4.959 -4.605 -30.476 1.00 4.11 N ATOM 764 CA ARG A 49 4.518 -4.585 -31.865 1.00 53.12 C ATOM 765 C ARG A 49 4.847 -3.247 -32.521 1.00 15.11 C ATOM 766 O ARG A 49 5.153 -3.186 -33.712 1.00 34.51 O ATOM 767 CB ARG A 49 3.013 -4.850 -31.948 1.00 43.41 C ATOM 768 CG ARG A 49 2.163 -3.696 -31.442 1.00 0.13 C ATOM 769 CD ARG A 49 1.751 -2.768 -32.574 1.00 61.41 C ATOM 770 NE ARG A 49 0.589 -1.957 -32.222 1.00 3.22 N ATOM 771 CZ ARG A 49 0.139 -0.954 -32.968 1.00 64.32 C ATOM 772 NH1 ARG A 49 0.751 -0.642 -34.103 1.00 15.14 N ATOM 773 NH2 ARG A 49 -0.924 -0.262 -32.580 1.00 72.15 N ATOM 0 H ARG A 49 5.086 -3.682 -30.060 1.00 4.11 H new ATOM 0 HA ARG A 49 5.049 -5.372 -32.400 1.00 53.12 H new ATOM 0 HB2 ARG A 49 2.746 -5.060 -32.984 1.00 43.41 H new ATOM 0 HB3 ARG A 49 2.778 -5.744 -31.371 1.00 43.41 H new ATOM 0 HG2 ARG A 49 1.273 -4.087 -30.949 1.00 0.13 H new ATOM 0 HG3 ARG A 49 2.721 -3.133 -30.693 1.00 0.13 H new ATOM 0 HD2 ARG A 49 2.585 -2.114 -32.829 1.00 61.41 H new ATOM 0 HD3 ARG A 49 1.526 -3.358 -33.462 1.00 61.41 H new ATOM 0 HE ARG A 49 0.096 -2.172 -31.356 1.00 3.22 H new ATOM 0 HH11 ARG A 49 1.568 -1.173 -34.404 1.00 15.14 H new ATOM 0 HH12 ARG A 49 0.404 0.128 -34.674 1.00 15.14 H new ATOM 0 HH21 ARG A 49 -1.397 -0.500 -31.708 1.00 72.15 H new ATOM 0 HH22 ARG A 49 -1.269 0.508 -33.154 1.00 72.15 H new ATOM 787 N ASP A 50 4.780 -2.177 -31.736 1.00 25.31 N ATOM 788 CA ASP A 50 5.072 -0.840 -32.240 1.00 34.04 C ATOM 789 C ASP A 50 6.370 -0.306 -31.644 1.00 1.44 C ATOM 790 O ASP A 50 6.664 0.886 -31.739 1.00 24.11 O ATOM 791 CB ASP A 50 3.918 0.112 -31.918 1.00 24.35 C ATOM 792 CG ASP A 50 3.472 0.910 -33.126 1.00 50.34 C ATOM 793 OD1 ASP A 50 3.502 0.358 -34.246 1.00 54.45 O ATOM 794 OD2 ASP A 50 3.092 2.087 -32.952 1.00 62.13 O ATOM 0 H ASP A 50 4.526 -2.210 -30.749 1.00 25.31 H new ATOM 0 HA ASP A 50 5.190 -0.903 -33.322 1.00 34.04 H new ATOM 0 HB2 ASP A 50 3.075 -0.461 -31.533 1.00 24.35 H new ATOM 0 HB3 ASP A 50 4.225 0.796 -31.127 1.00 24.35 H new ATOM 799 N SER A 51 7.143 -1.195 -31.028 1.00 13.22 N ATOM 800 CA SER A 51 8.408 -0.812 -30.412 1.00 13.33 C ATOM 801 C SER A 51 8.170 0.028 -29.160 1.00 60.02 C ATOM 802 O SER A 51 8.534 1.204 -29.109 1.00 23.55 O ATOM 803 CB SER A 51 9.269 -0.032 -31.407 1.00 55.41 C ATOM 804 OG SER A 51 10.643 -0.122 -31.073 1.00 72.03 O ATOM 0 H SER A 51 6.915 -2.186 -30.942 1.00 13.22 H new ATOM 0 HA SER A 51 8.934 -1.722 -30.124 1.00 13.33 H new ATOM 0 HB2 SER A 51 9.110 -0.420 -32.413 1.00 55.41 H new ATOM 0 HB3 SER A 51 8.962 1.014 -31.417 1.00 55.41 H new ATOM 0 HG SER A 51 11.172 0.384 -31.725 1.00 72.03 H new ATOM 810 N LEU A 52 7.557 -0.584 -28.153 1.00 54.51 N ATOM 811 CA LEU A 52 7.269 0.106 -26.900 1.00 42.21 C ATOM 812 C LEU A 52 6.268 1.236 -27.118 1.00 3.51 C ATOM 813 O LEU A 52 6.642 2.408 -27.180 1.00 13.43 O ATOM 814 CB LEU A 52 8.559 0.662 -26.293 1.00 71.44 C ATOM 815 CG LEU A 52 9.116 -0.099 -25.090 1.00 2.24 C ATOM 816 CD1 LEU A 52 9.261 -1.578 -25.413 1.00 15.13 C ATOM 817 CD2 LEU A 52 10.453 0.488 -24.660 1.00 51.11 C ATOM 0 H LEU A 52 7.250 -1.556 -28.179 1.00 54.51 H new ATOM 0 HA LEU A 52 6.831 -0.615 -26.210 1.00 42.21 H new ATOM 0 HB2 LEU A 52 9.323 0.683 -27.070 1.00 71.44 H new ATOM 0 HB3 LEU A 52 8.381 1.695 -25.994 1.00 71.44 H new ATOM 0 HG LEU A 52 8.413 0.004 -24.263 1.00 2.24 H new ATOM 0 HD11 LEU A 52 9.659 -2.103 -24.544 1.00 15.13 H new ATOM 0 HD12 LEU A 52 8.286 -1.991 -25.671 1.00 15.13 H new ATOM 0 HD13 LEU A 52 9.942 -1.701 -26.255 1.00 15.13 H new ATOM 0 HD21 LEU A 52 10.835 -0.066 -23.802 1.00 51.11 H new ATOM 0 HD22 LEU A 52 11.163 0.417 -25.484 1.00 51.11 H new ATOM 0 HD23 LEU A 52 10.320 1.534 -24.386 1.00 51.11 H new ATOM 829 N THR A 53 4.993 0.877 -27.232 1.00 3.43 N ATOM 830 CA THR A 53 3.938 1.861 -27.441 1.00 62.42 C ATOM 831 C THR A 53 3.286 2.257 -26.122 1.00 4.44 C ATOM 832 O THR A 53 2.072 2.454 -26.051 1.00 65.02 O ATOM 833 CB THR A 53 2.854 1.326 -28.396 1.00 11.30 C ATOM 834 OG1 THR A 53 3.341 0.176 -29.096 1.00 43.22 O ATOM 835 CG2 THR A 53 2.438 2.396 -29.395 1.00 35.44 C ATOM 0 H THR A 53 4.666 -0.088 -27.183 1.00 3.43 H new ATOM 0 HA THR A 53 4.407 2.737 -27.888 1.00 62.42 H new ATOM 0 HB THR A 53 1.984 1.047 -27.802 1.00 11.30 H new ATOM 0 HG1 THR A 53 2.593 -0.422 -29.304 1.00 43.22 H new ATOM 0 HG21 THR A 53 1.672 1.996 -30.059 1.00 35.44 H new ATOM 0 HG22 THR A 53 2.040 3.258 -28.860 1.00 35.44 H new ATOM 0 HG23 THR A 53 3.304 2.702 -29.983 1.00 35.44 H new ATOM 843 N LEU A 54 4.099 2.374 -25.077 1.00 43.34 N ATOM 844 CA LEU A 54 3.601 2.749 -23.758 1.00 43.14 C ATOM 845 C LEU A 54 2.785 4.036 -23.830 1.00 23.23 C ATOM 846 O LEU A 54 3.277 5.071 -24.279 1.00 64.45 O ATOM 847 CB LEU A 54 4.766 2.924 -22.783 1.00 23.15 C ATOM 848 CG LEU A 54 5.739 1.749 -22.681 1.00 61.52 C ATOM 849 CD1 LEU A 54 7.147 2.188 -23.051 1.00 63.34 C ATOM 850 CD2 LEU A 54 5.715 1.155 -21.280 1.00 55.21 C ATOM 0 H LEU A 54 5.106 2.215 -25.118 1.00 43.34 H new ATOM 0 HA LEU A 54 2.953 1.949 -23.400 1.00 43.14 H new ATOM 0 HB2 LEU A 54 5.328 3.811 -23.076 1.00 23.15 H new ATOM 0 HB3 LEU A 54 4.357 3.118 -21.791 1.00 23.15 H new ATOM 0 HG LEU A 54 5.423 0.980 -23.385 1.00 61.52 H new ATOM 0 HD11 LEU A 54 7.825 1.338 -22.973 1.00 63.34 H new ATOM 0 HD12 LEU A 54 7.154 2.565 -24.074 1.00 63.34 H new ATOM 0 HD13 LEU A 54 7.473 2.976 -22.372 1.00 63.34 H new ATOM 0 HD21 LEU A 54 6.414 0.320 -21.227 1.00 55.21 H new ATOM 0 HD22 LEU A 54 6.005 1.917 -20.557 1.00 55.21 H new ATOM 0 HD23 LEU A 54 4.709 0.802 -21.052 1.00 55.21 H new ATOM 862 N SER A 55 1.536 3.964 -23.381 1.00 62.10 N ATOM 863 CA SER A 55 0.651 5.123 -23.395 1.00 60.43 C ATOM 864 C SER A 55 0.460 5.677 -21.987 1.00 54.51 C ATOM 865 O SER A 55 -0.006 4.976 -21.090 1.00 23.24 O ATOM 866 CB SER A 55 -0.705 4.748 -23.997 1.00 21.33 C ATOM 867 OG SER A 55 -0.954 5.477 -25.186 1.00 34.31 O ATOM 0 H SER A 55 1.114 3.116 -23.003 1.00 62.10 H new ATOM 0 HA SER A 55 1.113 5.895 -24.011 1.00 60.43 H new ATOM 0 HB2 SER A 55 -0.729 3.679 -24.210 1.00 21.33 H new ATOM 0 HB3 SER A 55 -1.495 4.946 -23.273 1.00 21.33 H new ATOM 0 HG SER A 55 -1.825 5.218 -25.552 1.00 34.31 H new ATOM 873 N ALA A 56 0.822 6.943 -21.802 1.00 24.50 N ATOM 874 CA ALA A 56 0.689 7.593 -20.505 1.00 4.44 C ATOM 875 C ALA A 56 -0.401 8.659 -20.534 1.00 73.31 C ATOM 876 O ALA A 56 -0.481 9.453 -21.471 1.00 30.04 O ATOM 877 CB ALA A 56 2.017 8.206 -20.083 1.00 32.23 C ATOM 0 H ALA A 56 1.209 7.538 -22.534 1.00 24.50 H new ATOM 0 HA ALA A 56 0.402 6.836 -19.775 1.00 4.44 H new ATOM 0 HB1 ALA A 56 1.903 8.688 -19.112 1.00 32.23 H new ATOM 0 HB2 ALA A 56 2.773 7.424 -20.013 1.00 32.23 H new ATOM 0 HB3 ALA A 56 2.327 8.945 -20.821 1.00 32.23 H new ATOM 883 N ALA A 57 -1.240 8.669 -19.503 1.00 71.03 N ATOM 884 CA ALA A 57 -2.325 9.638 -19.411 1.00 73.30 C ATOM 885 C ALA A 57 -2.738 9.863 -17.960 1.00 41.35 C ATOM 886 O ALA A 57 -2.727 8.937 -17.151 1.00 42.10 O ATOM 887 CB ALA A 57 -3.518 9.175 -20.235 1.00 64.40 C ATOM 0 H ALA A 57 -1.189 8.017 -18.720 1.00 71.03 H new ATOM 0 HA ALA A 57 -1.967 10.586 -19.811 1.00 73.30 H new ATOM 0 HB1 ALA A 57 -4.321 9.908 -20.157 1.00 64.40 H new ATOM 0 HB2 ALA A 57 -3.221 9.072 -21.279 1.00 64.40 H new ATOM 0 HB3 ALA A 57 -3.868 8.213 -19.860 1.00 64.40 H new ATOM 893 N ASN A 58 -3.101 11.101 -17.639 1.00 71.20 N ATOM 894 CA ASN A 58 -3.516 11.448 -16.285 1.00 12.12 C ATOM 895 C ASN A 58 -4.980 11.878 -16.258 1.00 3.41 C ATOM 896 O ASN A 58 -5.321 12.982 -16.684 1.00 21.33 O ATOM 897 CB ASN A 58 -2.633 12.568 -15.730 1.00 35.12 C ATOM 898 CG ASN A 58 -3.127 13.084 -14.392 1.00 53.22 C ATOM 899 OD1 ASN A 58 -3.928 12.434 -13.721 1.00 34.14 O ATOM 900 ND2 ASN A 58 -2.650 14.259 -13.999 1.00 52.51 N ATOM 0 H ASN A 58 -3.116 11.880 -18.298 1.00 71.20 H new ATOM 0 HA ASN A 58 -3.404 10.563 -15.659 1.00 12.12 H new ATOM 0 HB2 ASN A 58 -1.612 12.202 -15.621 1.00 35.12 H new ATOM 0 HB3 ASN A 58 -2.602 13.390 -16.445 1.00 35.12 H new ATOM 0 HD21 ASN A 58 -2.946 14.658 -13.108 1.00 52.51 H new ATOM 0 HD22 ASN A 58 -1.987 14.763 -14.588 1.00 52.51 H new ATOM 907 N SER A 59 -5.840 10.999 -15.754 1.00 11.41 N ATOM 908 CA SER A 59 -7.267 11.287 -15.674 1.00 75.40 C ATOM 909 C SER A 59 -7.817 11.693 -17.038 1.00 1.51 C ATOM 910 O SER A 59 -8.748 12.493 -17.130 1.00 31.51 O ATOM 911 CB SER A 59 -7.530 12.396 -14.654 1.00 43.42 C ATOM 912 OG SER A 59 -6.768 12.196 -13.476 1.00 13.52 O ATOM 0 H SER A 59 -5.574 10.082 -15.395 1.00 11.41 H new ATOM 0 HA SER A 59 -7.777 10.379 -15.352 1.00 75.40 H new ATOM 0 HB2 SER A 59 -7.282 13.363 -15.091 1.00 43.42 H new ATOM 0 HB3 SER A 59 -8.591 12.421 -14.405 1.00 43.42 H new ATOM 0 HG SER A 59 -5.818 12.332 -13.674 1.00 13.52 H new ATOM 918 N GLU A 60 -7.232 11.137 -18.094 1.00 54.14 N ATOM 919 CA GLU A 60 -7.663 11.443 -19.454 1.00 23.43 C ATOM 920 C GLU A 60 -8.185 10.191 -20.153 1.00 42.04 C ATOM 921 O GLU A 60 -9.030 10.272 -21.045 1.00 45.23 O ATOM 922 CB GLU A 60 -6.506 12.044 -20.255 1.00 73.55 C ATOM 923 CG GLU A 60 -6.404 13.555 -20.136 1.00 64.23 C ATOM 924 CD GLU A 60 -5.414 14.152 -21.118 1.00 72.42 C ATOM 925 OE1 GLU A 60 -4.201 14.132 -20.823 1.00 22.51 O ATOM 926 OE2 GLU A 60 -5.853 14.639 -22.181 1.00 65.42 O ATOM 0 H GLU A 60 -6.460 10.473 -18.035 1.00 54.14 H new ATOM 0 HA GLU A 60 -8.473 12.171 -19.398 1.00 23.43 H new ATOM 0 HB2 GLU A 60 -5.571 11.597 -19.917 1.00 73.55 H new ATOM 0 HB3 GLU A 60 -6.625 11.778 -21.305 1.00 73.55 H new ATOM 0 HG2 GLU A 60 -7.387 13.996 -20.303 1.00 64.23 H new ATOM 0 HG3 GLU A 60 -6.106 13.816 -19.121 1.00 64.23 H new ATOM 933 N ASP A 61 -7.675 9.035 -19.743 1.00 34.04 N ATOM 934 CA ASP A 61 -8.090 7.766 -20.329 1.00 22.53 C ATOM 935 C ASP A 61 -9.274 7.177 -19.568 1.00 62.42 C ATOM 936 O ASP A 61 -9.127 6.707 -18.440 1.00 50.42 O ATOM 937 CB ASP A 61 -6.924 6.775 -20.329 1.00 54.03 C ATOM 938 CG ASP A 61 -7.257 5.490 -21.062 1.00 10.04 C ATOM 939 OD1 ASP A 61 -6.817 4.415 -20.603 1.00 72.54 O ATOM 940 OD2 ASP A 61 -7.958 5.560 -22.093 1.00 21.44 O ATOM 0 H ASP A 61 -6.974 8.951 -19.007 1.00 34.04 H new ATOM 0 HA ASP A 61 -8.399 7.953 -21.358 1.00 22.53 H new ATOM 0 HB2 ASP A 61 -6.055 7.241 -20.794 1.00 54.03 H new ATOM 0 HB3 ASP A 61 -6.649 6.542 -19.300 1.00 54.03 H new ATOM 945 N GLU A 62 -10.446 7.206 -20.194 1.00 14.12 N ATOM 946 CA GLU A 62 -11.656 6.677 -19.574 1.00 64.41 C ATOM 947 C GLU A 62 -12.608 6.119 -20.628 1.00 43.02 C ATOM 948 O GLU A 62 -13.812 6.015 -20.400 1.00 30.34 O ATOM 949 CB GLU A 62 -12.358 7.766 -18.762 1.00 12.42 C ATOM 950 CG GLU A 62 -12.730 7.332 -17.354 1.00 5.21 C ATOM 951 CD GLU A 62 -13.981 6.476 -17.318 1.00 43.23 C ATOM 952 OE1 GLU A 62 -15.053 7.009 -16.964 1.00 53.02 O ATOM 953 OE2 GLU A 62 -13.888 5.274 -17.644 1.00 5.40 O ATOM 0 H GLU A 62 -10.584 7.590 -21.129 1.00 14.12 H new ATOM 0 HA GLU A 62 -11.366 5.866 -18.906 1.00 64.41 H new ATOM 0 HB2 GLU A 62 -11.709 8.640 -18.704 1.00 12.42 H new ATOM 0 HB3 GLU A 62 -13.261 8.075 -19.288 1.00 12.42 H new ATOM 0 HG2 GLU A 62 -11.901 6.775 -16.919 1.00 5.21 H new ATOM 0 HG3 GLU A 62 -12.881 8.215 -16.734 1.00 5.21 H new ATOM 960 N GLY A 63 -12.058 5.762 -21.785 1.00 44.41 N ATOM 961 CA GLY A 63 -12.871 5.221 -22.858 1.00 32.33 C ATOM 962 C GLY A 63 -13.437 3.855 -22.523 1.00 72.10 C ATOM 963 O GLY A 63 -14.467 3.750 -21.858 1.00 31.43 O ATOM 0 H GLY A 63 -11.063 5.838 -21.998 1.00 44.41 H new ATOM 0 HA2 GLY A 63 -13.690 5.908 -23.071 1.00 32.33 H new ATOM 0 HA3 GLY A 63 -12.270 5.150 -23.765 1.00 32.33 H new ATOM 967 N GLN A 64 -12.764 2.807 -22.987 1.00 5.25 N ATOM 968 CA GLN A 64 -13.208 1.442 -22.734 1.00 63.50 C ATOM 969 C GLN A 64 -12.059 0.582 -22.217 1.00 44.12 C ATOM 970 O GLN A 64 -11.006 0.491 -22.850 1.00 32.31 O ATOM 971 CB GLN A 64 -13.786 0.827 -24.010 1.00 33.23 C ATOM 972 CG GLN A 64 -14.159 -0.640 -23.864 1.00 1.35 C ATOM 973 CD GLN A 64 -15.068 -0.895 -22.678 1.00 33.41 C ATOM 974 OE1 GLN A 64 -15.923 -0.073 -22.348 1.00 10.14 O ATOM 975 NE2 GLN A 64 -14.889 -2.041 -22.030 1.00 41.31 N ATOM 0 H GLN A 64 -11.910 2.877 -23.540 1.00 5.25 H new ATOM 0 HA GLN A 64 -13.985 1.475 -21.970 1.00 63.50 H new ATOM 0 HB2 GLN A 64 -14.671 1.390 -24.306 1.00 33.23 H new ATOM 0 HB3 GLN A 64 -13.058 0.930 -24.815 1.00 33.23 H new ATOM 0 HG2 GLN A 64 -14.653 -0.978 -24.775 1.00 1.35 H new ATOM 0 HG3 GLN A 64 -13.251 -1.233 -23.755 1.00 1.35 H new ATOM 0 HE21 GLN A 64 -14.168 -2.694 -22.338 1.00 41.31 H new ATOM 0 HE22 GLN A 64 -15.472 -2.268 -21.225 1.00 41.31 H new ATOM 984 N ILE A 65 -12.267 -0.045 -21.065 1.00 35.23 N ATOM 985 CA ILE A 65 -11.249 -0.898 -20.464 1.00 10.50 C ATOM 986 C ILE A 65 -11.873 -2.135 -19.827 1.00 51.33 C ATOM 987 O ILE A 65 -12.974 -2.075 -19.279 1.00 5.34 O ATOM 988 CB ILE A 65 -10.438 -0.139 -19.397 1.00 43.12 C ATOM 989 CG1 ILE A 65 -9.374 -1.054 -18.787 1.00 73.42 C ATOM 990 CG2 ILE A 65 -11.361 0.403 -18.316 1.00 43.42 C ATOM 991 CD1 ILE A 65 -8.058 -0.358 -18.522 1.00 63.41 C ATOM 0 H ILE A 65 -13.132 0.021 -20.528 1.00 35.23 H new ATOM 0 HA ILE A 65 -10.580 -1.205 -21.268 1.00 10.50 H new ATOM 0 HB ILE A 65 -9.936 0.703 -19.874 1.00 43.12 H new ATOM 0 HG12 ILE A 65 -9.753 -1.465 -17.851 1.00 73.42 H new ATOM 0 HG13 ILE A 65 -9.202 -1.895 -19.458 1.00 73.42 H new ATOM 0 HG21 ILE A 65 -10.773 0.937 -17.569 1.00 43.42 H new ATOM 0 HG22 ILE A 65 -12.084 1.085 -18.763 1.00 43.42 H new ATOM 0 HG23 ILE A 65 -11.888 -0.424 -17.840 1.00 43.42 H new ATOM 0 HD11 ILE A 65 -7.352 -1.067 -18.090 1.00 63.41 H new ATOM 0 HD12 ILE A 65 -7.656 0.029 -19.458 1.00 63.41 H new ATOM 0 HD13 ILE A 65 -8.216 0.466 -17.826 1.00 63.41 H new ATOM 1003 N ARG A 66 -11.162 -3.255 -19.903 1.00 11.10 N ATOM 1004 CA ARG A 66 -11.646 -4.507 -19.333 1.00 42.25 C ATOM 1005 C ARG A 66 -10.551 -5.194 -18.522 1.00 52.21 C ATOM 1006 O ARG A 66 -9.404 -5.284 -18.960 1.00 2.55 O ATOM 1007 CB ARG A 66 -12.136 -5.440 -20.442 1.00 21.31 C ATOM 1008 CG ARG A 66 -13.648 -5.590 -20.488 1.00 23.12 C ATOM 1009 CD ARG A 66 -14.098 -6.894 -19.847 1.00 50.23 C ATOM 1010 NE ARG A 66 -15.256 -6.705 -18.977 1.00 42.04 N ATOM 1011 CZ ARG A 66 -16.467 -6.390 -19.424 1.00 4.35 C ATOM 1012 NH1 ARG A 66 -16.677 -6.229 -20.723 1.00 31.23 N ATOM 1013 NH2 ARG A 66 -17.470 -6.235 -18.569 1.00 52.24 N ATOM 0 H ARG A 66 -10.249 -3.321 -20.353 1.00 11.10 H new ATOM 0 HA ARG A 66 -12.477 -4.277 -18.667 1.00 42.25 H new ATOM 0 HB2 ARG A 66 -11.787 -5.062 -21.403 1.00 21.31 H new ATOM 0 HB3 ARG A 66 -11.686 -6.423 -20.303 1.00 21.31 H new ATOM 0 HG2 ARG A 66 -14.114 -4.750 -19.973 1.00 23.12 H new ATOM 0 HG3 ARG A 66 -13.987 -5.556 -21.523 1.00 23.12 H new ATOM 0 HD2 ARG A 66 -14.344 -7.615 -20.626 1.00 50.23 H new ATOM 0 HD3 ARG A 66 -13.276 -7.317 -19.270 1.00 50.23 H new ATOM 0 HE ARG A 66 -15.128 -6.821 -17.972 1.00 42.04 H new ATOM 0 HH11 ARG A 66 -15.908 -6.347 -21.382 1.00 31.23 H new ATOM 0 HH12 ARG A 66 -17.608 -5.987 -21.063 1.00 31.23 H new ATOM 0 HH21 ARG A 66 -17.311 -6.358 -17.569 1.00 52.24 H new ATOM 0 HH22 ARG A 66 -18.400 -5.993 -18.912 1.00 52.24 H new ATOM 1027 N TYR A 67 -10.914 -5.676 -17.339 1.00 21.31 N ATOM 1028 CA TYR A 67 -9.962 -6.352 -16.465 1.00 75.50 C ATOM 1029 C TYR A 67 -9.600 -7.728 -17.015 1.00 61.44 C ATOM 1030 O TYR A 67 -10.475 -8.548 -17.296 1.00 62.01 O ATOM 1031 CB TYR A 67 -10.541 -6.491 -15.056 1.00 14.20 C ATOM 1032 CG TYR A 67 -10.998 -5.180 -14.458 1.00 0.55 C ATOM 1033 CD1 TYR A 67 -12.294 -5.025 -13.981 1.00 21.15 C ATOM 1034 CD2 TYR A 67 -10.134 -4.095 -14.370 1.00 13.21 C ATOM 1035 CE1 TYR A 67 -12.716 -3.829 -13.434 1.00 0.25 C ATOM 1036 CE2 TYR A 67 -10.547 -2.895 -13.823 1.00 71.31 C ATOM 1037 CZ TYR A 67 -11.839 -2.767 -13.357 1.00 22.14 C ATOM 1038 OH TYR A 67 -12.254 -1.573 -12.813 1.00 33.45 O ATOM 0 H TYR A 67 -11.860 -5.611 -16.963 1.00 21.31 H new ATOM 0 HA TYR A 67 -9.056 -5.748 -16.421 1.00 75.50 H new ATOM 0 HB2 TYR A 67 -11.384 -7.181 -15.085 1.00 14.20 H new ATOM 0 HB3 TYR A 67 -9.788 -6.935 -14.405 1.00 14.20 H new ATOM 0 HD1 TYR A 67 -12.983 -5.854 -14.039 1.00 21.15 H new ATOM 0 HD2 TYR A 67 -9.122 -4.191 -14.735 1.00 13.21 H new ATOM 0 HE1 TYR A 67 -13.727 -3.726 -13.069 1.00 0.25 H new ATOM 0 HE2 TYR A 67 -9.862 -2.062 -13.761 1.00 71.31 H new ATOM 0 HH TYR A 67 -11.515 -0.930 -12.833 1.00 33.45 H new ATOM 1048 N PHE A 68 -8.303 -7.975 -17.167 1.00 1.15 N ATOM 1049 CA PHE A 68 -7.822 -9.251 -17.683 1.00 74.14 C ATOM 1050 C PHE A 68 -7.049 -10.015 -16.612 1.00 75.35 C ATOM 1051 O PHE A 68 -6.327 -9.423 -15.810 1.00 11.32 O ATOM 1052 CB PHE A 68 -6.933 -9.027 -18.908 1.00 61.01 C ATOM 1053 CG PHE A 68 -7.089 -10.084 -19.964 1.00 22.24 C ATOM 1054 CD1 PHE A 68 -8.287 -10.232 -20.644 1.00 0.35 C ATOM 1055 CD2 PHE A 68 -6.037 -10.931 -20.275 1.00 51.25 C ATOM 1056 CE1 PHE A 68 -8.434 -11.203 -21.616 1.00 23.33 C ATOM 1057 CE2 PHE A 68 -6.178 -11.904 -21.247 1.00 2.31 C ATOM 1058 CZ PHE A 68 -7.378 -12.041 -21.917 1.00 22.11 C ATOM 0 H PHE A 68 -7.566 -7.308 -16.940 1.00 1.15 H new ATOM 0 HA PHE A 68 -8.688 -9.846 -17.974 1.00 74.14 H new ATOM 0 HB2 PHE A 68 -7.165 -8.054 -19.342 1.00 61.01 H new ATOM 0 HB3 PHE A 68 -5.891 -8.994 -18.590 1.00 61.01 H new ATOM 0 HD1 PHE A 68 -9.116 -9.580 -20.411 1.00 0.35 H new ATOM 0 HD2 PHE A 68 -5.097 -10.830 -19.753 1.00 51.25 H new ATOM 0 HE1 PHE A 68 -9.373 -11.307 -22.139 1.00 23.33 H new ATOM 0 HE2 PHE A 68 -5.350 -12.557 -21.482 1.00 2.31 H new ATOM 0 HZ PHE A 68 -7.490 -12.802 -22.675 1.00 22.11 H new ATOM 1068 N LEU A 69 -7.207 -11.334 -16.606 1.00 20.30 N ATOM 1069 CA LEU A 69 -6.525 -12.182 -15.634 1.00 1.52 C ATOM 1070 C LEU A 69 -6.869 -13.651 -15.856 1.00 3.11 C ATOM 1071 O LEU A 69 -6.003 -14.482 -16.131 1.00 42.35 O ATOM 1072 CB LEU A 69 -6.904 -11.767 -14.211 1.00 55.42 C ATOM 1073 CG LEU A 69 -5.781 -11.166 -13.365 1.00 54.21 C ATOM 1074 CD1 LEU A 69 -6.344 -10.175 -12.358 1.00 3.22 C ATOM 1075 CD2 LEU A 69 -5.001 -12.264 -12.657 1.00 52.11 C ATOM 0 H LEU A 69 -7.801 -11.840 -17.263 1.00 20.30 H new ATOM 0 HA LEU A 69 -5.451 -12.055 -15.769 1.00 1.52 H new ATOM 0 HB2 LEU A 69 -7.715 -11.042 -14.270 1.00 55.42 H new ATOM 0 HB3 LEU A 69 -7.295 -12.642 -13.691 1.00 55.42 H new ATOM 0 HG LEU A 69 -5.099 -10.632 -14.027 1.00 54.21 H new ATOM 0 HD11 LEU A 69 -5.531 -9.757 -11.765 1.00 3.22 H new ATOM 0 HD12 LEU A 69 -6.858 -9.372 -12.886 1.00 3.22 H new ATOM 0 HD13 LEU A 69 -7.048 -10.685 -11.700 1.00 3.22 H new ATOM 0 HD21 LEU A 69 -4.206 -11.818 -12.060 1.00 52.11 H new ATOM 0 HD22 LEU A 69 -5.672 -12.826 -12.007 1.00 52.11 H new ATOM 0 HD23 LEU A 69 -4.566 -12.936 -13.397 1.00 52.11 H new ATOM 1087 N PRO A 70 -8.163 -13.981 -15.736 1.00 12.33 N ATOM 1088 CA PRO A 70 -8.652 -15.350 -15.922 1.00 62.22 C ATOM 1089 C PRO A 70 -8.571 -15.802 -17.376 1.00 44.34 C ATOM 1090 O PRO A 70 -8.717 -16.986 -17.678 1.00 21.55 O ATOM 1091 CB PRO A 70 -10.111 -15.271 -15.468 1.00 33.15 C ATOM 1092 CG PRO A 70 -10.494 -13.845 -15.669 1.00 30.51 C ATOM 1093 CD PRO A 70 -9.250 -13.042 -15.409 1.00 62.02 C ATOM 0 HA PRO A 70 -8.057 -16.074 -15.365 1.00 62.22 H new ATOM 0 HB2 PRO A 70 -10.744 -15.937 -16.054 1.00 33.15 H new ATOM 0 HB3 PRO A 70 -10.217 -15.566 -14.424 1.00 33.15 H new ATOM 0 HG2 PRO A 70 -10.861 -13.679 -16.682 1.00 30.51 H new ATOM 0 HG3 PRO A 70 -11.294 -13.556 -14.988 1.00 30.51 H new ATOM 0 HD2 PRO A 70 -9.211 -12.149 -16.033 1.00 62.02 H new ATOM 0 HD3 PRO A 70 -9.196 -12.710 -14.372 1.00 62.02 H new ATOM 1101 N ASP A 71 -8.336 -14.851 -18.274 1.00 13.21 N ATOM 1102 CA ASP A 71 -8.234 -15.151 -19.697 1.00 70.43 C ATOM 1103 C ASP A 71 -9.440 -15.957 -20.171 1.00 23.35 C ATOM 1104 O ASP A 71 -9.322 -16.811 -21.050 1.00 41.51 O ATOM 1105 CB ASP A 71 -6.945 -15.922 -19.986 1.00 43.23 C ATOM 1106 CG ASP A 71 -5.792 -15.471 -19.111 1.00 12.14 C ATOM 1107 OD1 ASP A 71 -5.463 -16.192 -18.145 1.00 41.41 O ATOM 1108 OD2 ASP A 71 -5.219 -14.398 -19.391 1.00 40.33 O ATOM 0 H ASP A 71 -8.213 -13.866 -18.041 1.00 13.21 H new ATOM 0 HA ASP A 71 -8.214 -14.207 -20.241 1.00 70.43 H new ATOM 0 HB2 ASP A 71 -7.120 -16.987 -19.832 1.00 43.23 H new ATOM 0 HB3 ASP A 71 -6.675 -15.792 -21.034 1.00 43.23 H new ATOM 1113 N ARG A 72 -10.598 -15.681 -19.580 1.00 71.24 N ATOM 1114 CA ARG A 72 -11.825 -16.382 -19.940 1.00 21.10 C ATOM 1115 C ARG A 72 -12.973 -15.398 -20.144 1.00 72.31 C ATOM 1116 O ARG A 72 -14.142 -15.752 -19.989 1.00 31.24 O ATOM 1117 CB ARG A 72 -12.195 -17.396 -18.856 1.00 24.20 C ATOM 1118 CG ARG A 72 -11.401 -18.690 -18.937 1.00 34.34 C ATOM 1119 CD ARG A 72 -12.172 -19.770 -19.680 1.00 64.33 C ATOM 1120 NE ARG A 72 -11.829 -21.110 -19.209 1.00 52.41 N ATOM 1121 CZ ARG A 72 -12.182 -22.223 -19.841 1.00 60.50 C ATOM 1122 NH1 ARG A 72 -12.883 -22.159 -20.964 1.00 53.43 N ATOM 1123 NH2 ARG A 72 -11.833 -23.406 -19.350 1.00 3.54 N ATOM 0 H ARG A 72 -10.712 -14.978 -18.850 1.00 71.24 H new ATOM 0 HA ARG A 72 -11.651 -16.910 -20.878 1.00 21.10 H new ATOM 0 HB2 ARG A 72 -12.037 -16.943 -17.877 1.00 24.20 H new ATOM 0 HB3 ARG A 72 -13.258 -17.626 -18.933 1.00 24.20 H new ATOM 0 HG2 ARG A 72 -10.453 -18.506 -19.442 1.00 34.34 H new ATOM 0 HG3 ARG A 72 -11.164 -19.037 -17.931 1.00 34.34 H new ATOM 0 HD2 ARG A 72 -13.242 -19.604 -19.553 1.00 64.33 H new ATOM 0 HD3 ARG A 72 -11.962 -19.696 -20.747 1.00 64.33 H new ATOM 0 HE ARG A 72 -11.289 -21.195 -18.348 1.00 52.41 H new ATOM 0 HH11 ARG A 72 -13.153 -21.252 -21.346 1.00 53.43 H new ATOM 0 HH12 ARG A 72 -13.152 -23.016 -21.447 1.00 53.43 H new ATOM 0 HH21 ARG A 72 -11.293 -23.461 -18.486 1.00 3.54 H new ATOM 0 HH22 ARG A 72 -12.105 -24.260 -19.836 1.00 3.54 H new ATOM 1137 N ASP A 73 -12.632 -14.163 -20.492 1.00 42.43 N ATOM 1138 CA ASP A 73 -13.634 -13.127 -20.718 1.00 62.43 C ATOM 1139 C ASP A 73 -13.984 -13.024 -22.200 1.00 4.25 C ATOM 1140 O ASP A 73 -14.267 -11.938 -22.705 1.00 62.42 O ATOM 1141 CB ASP A 73 -13.129 -11.778 -20.205 1.00 65.03 C ATOM 1142 CG ASP A 73 -14.224 -10.731 -20.154 1.00 62.13 C ATOM 1143 OD1 ASP A 73 -15.042 -10.773 -19.212 1.00 31.44 O ATOM 1144 OD2 ASP A 73 -14.262 -9.869 -21.057 1.00 12.24 O ATOM 0 H ASP A 73 -11.669 -13.854 -20.624 1.00 42.43 H new ATOM 0 HA ASP A 73 -14.535 -13.401 -20.169 1.00 62.43 H new ATOM 0 HB2 ASP A 73 -12.707 -11.907 -19.208 1.00 65.03 H new ATOM 0 HB3 ASP A 73 -12.324 -11.426 -20.849 1.00 65.03 H new ATOM 1149 N GLU A 74 -13.961 -14.160 -22.889 1.00 24.42 N ATOM 1150 CA GLU A 74 -14.274 -14.196 -24.313 1.00 3.05 C ATOM 1151 C GLU A 74 -13.317 -13.308 -25.102 1.00 42.43 C ATOM 1152 O GLU A 74 -13.732 -12.565 -25.991 1.00 13.13 O ATOM 1153 CB GLU A 74 -15.717 -13.748 -24.551 1.00 72.23 C ATOM 1154 CG GLU A 74 -16.729 -14.459 -23.668 1.00 61.03 C ATOM 1155 CD GLU A 74 -18.159 -14.230 -24.118 1.00 63.25 C ATOM 1156 OE1 GLU A 74 -18.421 -13.186 -24.751 1.00 41.22 O ATOM 1157 OE2 GLU A 74 -19.015 -15.095 -23.838 1.00 51.43 O ATOM 0 H GLU A 74 -13.729 -15.067 -22.485 1.00 24.42 H new ATOM 0 HA GLU A 74 -14.158 -15.223 -24.659 1.00 3.05 H new ATOM 0 HB2 GLU A 74 -15.788 -12.674 -24.379 1.00 72.23 H new ATOM 0 HB3 GLU A 74 -15.974 -13.921 -25.596 1.00 72.23 H new ATOM 0 HG2 GLU A 74 -16.519 -15.528 -23.669 1.00 61.03 H new ATOM 0 HG3 GLU A 74 -16.616 -14.113 -22.641 1.00 61.03 H new ATOM 1164 N GLY A 75 -12.032 -13.390 -24.771 1.00 22.04 N ATOM 1165 CA GLY A 75 -11.036 -12.589 -25.457 1.00 45.50 C ATOM 1166 C GLY A 75 -9.714 -13.314 -25.612 1.00 23.14 C ATOM 1167 O GLY A 75 -9.047 -13.191 -26.639 1.00 33.32 O ATOM 0 H GLY A 75 -11.663 -13.997 -24.039 1.00 22.04 H new ATOM 0 HA2 GLY A 75 -11.412 -12.312 -26.442 1.00 45.50 H new ATOM 0 HA3 GLY A 75 -10.876 -11.663 -24.905 1.00 45.50 H new ATOM 1171 N MET A 76 -9.333 -14.071 -24.588 1.00 23.02 N ATOM 1172 CA MET A 76 -8.081 -14.819 -24.615 1.00 1.31 C ATOM 1173 C MET A 76 -7.975 -15.656 -25.886 1.00 11.14 C ATOM 1174 O MET A 76 -6.878 -15.921 -26.376 1.00 2.43 O ATOM 1175 CB MET A 76 -7.975 -15.722 -23.385 1.00 21.12 C ATOM 1176 CG MET A 76 -6.809 -16.696 -23.445 1.00 13.03 C ATOM 1177 SD MET A 76 -5.218 -15.865 -23.611 1.00 23.15 S ATOM 1178 CE MET A 76 -4.115 -17.270 -23.744 1.00 43.13 C ATOM 0 H MET A 76 -9.873 -14.183 -23.730 1.00 23.02 H new ATOM 0 HA MET A 76 -7.259 -14.103 -24.603 1.00 1.31 H new ATOM 0 HB2 MET A 76 -7.873 -15.100 -22.496 1.00 21.12 H new ATOM 0 HB3 MET A 76 -8.902 -16.284 -23.276 1.00 21.12 H new ATOM 0 HG2 MET A 76 -6.803 -17.306 -22.542 1.00 13.03 H new ATOM 0 HG3 MET A 76 -6.950 -17.374 -24.287 1.00 13.03 H new ATOM 0 HE1 MET A 76 -3.093 -16.918 -23.888 1.00 43.13 H new ATOM 0 HE2 MET A 76 -4.169 -17.863 -22.831 1.00 43.13 H new ATOM 0 HE3 MET A 76 -4.410 -17.885 -24.594 1.00 43.13 H new ATOM 1188 N MET A 77 -9.122 -16.070 -26.414 1.00 14.34 N ATOM 1189 CA MET A 77 -9.157 -16.876 -27.628 1.00 74.21 C ATOM 1190 C MET A 77 -8.522 -16.128 -28.796 1.00 23.52 C ATOM 1191 O MET A 77 -7.796 -16.715 -29.598 1.00 53.01 O ATOM 1192 CB MET A 77 -10.599 -17.254 -27.973 1.00 71.15 C ATOM 1193 CG MET A 77 -11.528 -16.057 -28.099 1.00 64.21 C ATOM 1194 SD MET A 77 -13.260 -16.535 -28.247 1.00 11.43 S ATOM 1195 CE MET A 77 -13.545 -16.239 -29.990 1.00 73.11 C ATOM 0 H MET A 77 -10.039 -15.861 -26.020 1.00 14.34 H new ATOM 0 HA MET A 77 -8.584 -17.785 -27.447 1.00 74.21 H new ATOM 0 HB2 MET A 77 -10.606 -17.809 -28.911 1.00 71.15 H new ATOM 0 HB3 MET A 77 -10.984 -17.923 -27.204 1.00 71.15 H new ATOM 0 HG2 MET A 77 -11.406 -15.414 -27.228 1.00 64.21 H new ATOM 0 HG3 MET A 77 -11.241 -15.470 -28.971 1.00 64.21 H new ATOM 0 HE1 MET A 77 -14.577 -16.489 -30.238 1.00 73.11 H new ATOM 0 HE2 MET A 77 -13.362 -15.188 -30.215 1.00 73.11 H new ATOM 0 HE3 MET A 77 -12.870 -16.859 -30.580 1.00 73.11 H new ATOM 1205 N GLU A 78 -8.800 -14.831 -28.884 1.00 24.41 N ATOM 1206 CA GLU A 78 -8.255 -14.005 -29.955 1.00 21.31 C ATOM 1207 C GLU A 78 -6.919 -13.392 -29.544 1.00 32.43 C ATOM 1208 O GLU A 78 -6.123 -12.990 -30.391 1.00 22.01 O ATOM 1209 CB GLU A 78 -9.243 -12.898 -30.328 1.00 71.31 C ATOM 1210 CG GLU A 78 -10.218 -13.297 -31.423 1.00 53.40 C ATOM 1211 CD GLU A 78 -10.999 -12.116 -31.966 1.00 55.04 C ATOM 1212 OE1 GLU A 78 -11.404 -11.252 -31.161 1.00 0.34 O ATOM 1213 OE2 GLU A 78 -11.207 -12.056 -33.196 1.00 64.23 O ATOM 0 H GLU A 78 -9.399 -14.330 -28.227 1.00 24.41 H new ATOM 0 HA GLU A 78 -8.090 -14.643 -30.823 1.00 21.31 H new ATOM 0 HB2 GLU A 78 -9.805 -12.610 -29.440 1.00 71.31 H new ATOM 0 HB3 GLU A 78 -8.686 -12.019 -30.652 1.00 71.31 H new ATOM 0 HG2 GLU A 78 -9.670 -13.771 -32.237 1.00 53.40 H new ATOM 0 HG3 GLU A 78 -10.914 -14.039 -31.032 1.00 53.40 H new ATOM 1220 N GLU A 79 -6.683 -13.325 -28.237 1.00 61.12 N ATOM 1221 CA GLU A 79 -5.445 -12.760 -27.714 1.00 22.13 C ATOM 1222 C GLU A 79 -4.478 -13.864 -27.293 1.00 13.40 C ATOM 1223 O GLU A 79 -3.558 -13.633 -26.510 1.00 11.51 O ATOM 1224 CB GLU A 79 -5.739 -11.844 -26.524 1.00 51.00 C ATOM 1225 CG GLU A 79 -5.200 -10.434 -26.694 1.00 5.33 C ATOM 1226 CD GLU A 79 -5.865 -9.687 -27.833 1.00 74.55 C ATOM 1227 OE1 GLU A 79 -6.673 -8.776 -27.554 1.00 24.42 O ATOM 1228 OE2 GLU A 79 -5.580 -10.014 -29.004 1.00 60.33 O ATOM 0 H GLU A 79 -7.332 -13.655 -27.522 1.00 61.12 H new ATOM 0 HA GLU A 79 -4.979 -12.175 -28.507 1.00 22.13 H new ATOM 0 HB2 GLU A 79 -6.817 -11.796 -26.371 1.00 51.00 H new ATOM 0 HB3 GLU A 79 -5.309 -12.282 -25.624 1.00 51.00 H new ATOM 0 HG2 GLU A 79 -5.346 -9.879 -25.767 1.00 5.33 H new ATOM 0 HG3 GLU A 79 -4.126 -10.479 -26.873 1.00 5.33 H new ATOM 1235 N GLY A 80 -4.696 -15.065 -27.819 1.00 63.14 N ATOM 1236 CA GLY A 80 -3.837 -16.187 -27.487 1.00 12.01 C ATOM 1237 C GLY A 80 -3.952 -17.321 -28.486 1.00 40.02 C ATOM 1238 O GLY A 80 -2.958 -17.964 -28.825 1.00 1.25 O ATOM 0 H GLY A 80 -5.452 -15.281 -28.469 1.00 63.14 H new ATOM 0 HA2 GLY A 80 -2.802 -15.848 -27.445 1.00 12.01 H new ATOM 0 HA3 GLY A 80 -4.093 -16.555 -26.493 1.00 12.01 H new ATOM 1242 N LYS A 81 -5.168 -17.570 -28.959 1.00 54.55 N ATOM 1243 CA LYS A 81 -5.411 -18.634 -29.926 1.00 31.02 C ATOM 1244 C LYS A 81 -5.519 -18.071 -31.339 1.00 75.34 C ATOM 1245 O LYS A 81 -6.065 -18.717 -32.235 1.00 52.24 O ATOM 1246 CB LYS A 81 -6.691 -19.393 -29.568 1.00 62.43 C ATOM 1247 CG LYS A 81 -6.590 -20.893 -29.789 1.00 10.23 C ATOM 1248 CD LYS A 81 -7.891 -21.596 -29.442 1.00 34.24 C ATOM 1249 CE LYS A 81 -8.729 -21.863 -30.683 1.00 13.53 C ATOM 1250 NZ LYS A 81 -8.540 -23.249 -31.193 1.00 1.32 N ATOM 0 H LYS A 81 -6.002 -17.049 -28.688 1.00 54.55 H new ATOM 0 HA LYS A 81 -4.566 -19.322 -29.892 1.00 31.02 H new ATOM 0 HB2 LYS A 81 -6.936 -19.204 -28.523 1.00 62.43 H new ATOM 0 HB3 LYS A 81 -7.515 -19.001 -30.164 1.00 62.43 H new ATOM 0 HG2 LYS A 81 -6.334 -21.092 -30.830 1.00 10.23 H new ATOM 0 HG3 LYS A 81 -5.782 -21.298 -29.179 1.00 10.23 H new ATOM 0 HD2 LYS A 81 -7.674 -22.538 -28.939 1.00 34.24 H new ATOM 0 HD3 LYS A 81 -8.460 -20.985 -28.742 1.00 34.24 H new ATOM 0 HE2 LYS A 81 -9.782 -21.702 -30.452 1.00 13.53 H new ATOM 0 HE3 LYS A 81 -8.461 -21.150 -31.462 1.00 13.53 H new ATOM 0 HZ1 LYS A 81 -9.128 -23.391 -32.039 1.00 1.32 H new ATOM 0 HZ2 LYS A 81 -7.540 -23.395 -31.438 1.00 1.32 H new ATOM 0 HZ3 LYS A 81 -8.820 -23.930 -30.459 1.00 1.32 H new ATOM 1264 N LEU A 82 -4.996 -16.866 -31.533 1.00 63.12 N ATOM 1265 CA LEU A 82 -5.032 -16.217 -32.839 1.00 51.11 C ATOM 1266 C LEU A 82 -3.639 -15.759 -33.259 1.00 21.32 C ATOM 1267 O LEU A 82 -3.127 -16.171 -34.300 1.00 24.54 O ATOM 1268 CB LEU A 82 -5.987 -15.022 -32.810 1.00 44.10 C ATOM 1269 CG LEU A 82 -6.367 -14.434 -34.169 1.00 51.42 C ATOM 1270 CD1 LEU A 82 -7.694 -15.005 -34.646 1.00 3.45 C ATOM 1271 CD2 LEU A 82 -6.434 -12.915 -34.093 1.00 75.21 C ATOM 0 H LEU A 82 -4.542 -16.318 -30.802 1.00 63.12 H new ATOM 0 HA LEU A 82 -5.390 -16.944 -33.568 1.00 51.11 H new ATOM 0 HB2 LEU A 82 -6.901 -15.325 -32.299 1.00 44.10 H new ATOM 0 HB3 LEU A 82 -5.533 -14.234 -32.210 1.00 44.10 H new ATOM 0 HG LEU A 82 -5.597 -14.708 -34.890 1.00 51.42 H new ATOM 0 HD11 LEU A 82 -7.948 -14.575 -35.615 1.00 3.45 H new ATOM 0 HD12 LEU A 82 -7.611 -16.088 -34.740 1.00 3.45 H new ATOM 0 HD13 LEU A 82 -8.475 -14.762 -33.925 1.00 3.45 H new ATOM 0 HD21 LEU A 82 -6.706 -12.513 -35.069 1.00 75.21 H new ATOM 0 HD22 LEU A 82 -7.183 -12.620 -33.358 1.00 75.21 H new ATOM 0 HD23 LEU A 82 -5.461 -12.522 -33.797 1.00 75.21 H new ATOM 1283 N ASP A 83 -3.031 -14.907 -32.441 1.00 43.03 N ATOM 1284 CA ASP A 83 -1.695 -14.396 -32.726 1.00 2.33 C ATOM 1285 C ASP A 83 -0.705 -14.836 -31.652 1.00 4.51 C ATOM 1286 O ASP A 83 -0.913 -14.591 -30.464 1.00 31.21 O ATOM 1287 CB ASP A 83 -1.719 -12.869 -32.820 1.00 72.43 C ATOM 1288 CG ASP A 83 -3.010 -12.347 -33.419 1.00 52.11 C ATOM 1289 OD1 ASP A 83 -3.528 -12.984 -34.360 1.00 55.44 O ATOM 1290 OD2 ASP A 83 -3.503 -11.302 -32.946 1.00 1.22 O ATOM 0 H ASP A 83 -3.442 -14.556 -31.576 1.00 43.03 H new ATOM 0 HA ASP A 83 -1.372 -14.806 -33.683 1.00 2.33 H new ATOM 0 HB2 ASP A 83 -1.586 -12.444 -31.825 1.00 72.43 H new ATOM 0 HB3 ASP A 83 -0.878 -12.532 -33.426 1.00 72.43 H new ATOM 1295 N ALA A 84 0.373 -15.486 -32.078 1.00 73.45 N ATOM 1296 CA ALA A 84 1.395 -15.959 -31.154 1.00 24.42 C ATOM 1297 C ALA A 84 1.944 -14.814 -30.309 1.00 60.43 C ATOM 1298 O ALA A 84 2.416 -15.025 -29.192 1.00 62.13 O ATOM 1299 CB ALA A 84 2.521 -16.642 -31.916 1.00 44.14 C ATOM 0 H ALA A 84 0.561 -15.697 -33.058 1.00 73.45 H new ATOM 0 HA ALA A 84 0.934 -16.683 -30.482 1.00 24.42 H new ATOM 0 HB1 ALA A 84 3.277 -16.990 -31.213 1.00 44.14 H new ATOM 0 HB2 ALA A 84 2.122 -17.492 -32.470 1.00 44.14 H new ATOM 0 HB3 ALA A 84 2.971 -15.934 -32.612 1.00 44.14 H new ATOM 1305 N SER A 85 1.879 -13.602 -30.851 1.00 21.14 N ATOM 1306 CA SER A 85 2.374 -12.424 -30.148 1.00 53.22 C ATOM 1307 C SER A 85 1.531 -12.136 -28.909 1.00 71.24 C ATOM 1308 O SER A 85 2.059 -11.785 -27.854 1.00 21.45 O ATOM 1309 CB SER A 85 2.366 -11.209 -31.078 1.00 15.11 C ATOM 1310 OG SER A 85 3.308 -11.362 -32.125 1.00 51.31 O ATOM 0 H SER A 85 1.489 -13.410 -31.774 1.00 21.14 H new ATOM 0 HA SER A 85 3.398 -12.624 -29.831 1.00 53.22 H new ATOM 0 HB2 SER A 85 1.369 -11.075 -31.498 1.00 15.11 H new ATOM 0 HB3 SER A 85 2.595 -10.309 -30.507 1.00 15.11 H new ATOM 0 HG SER A 85 3.282 -10.573 -32.706 1.00 51.31 H new ATOM 1316 N CYS A 86 0.218 -12.287 -29.047 1.00 24.02 N ATOM 1317 CA CYS A 86 -0.699 -12.043 -27.940 1.00 13.14 C ATOM 1318 C CYS A 86 -0.550 -13.114 -26.864 1.00 14.22 C ATOM 1319 O CYS A 86 -0.535 -12.811 -25.671 1.00 72.40 O ATOM 1320 CB CYS A 86 -2.143 -12.007 -28.445 1.00 25.35 C ATOM 1321 SG CYS A 86 -2.440 -10.786 -29.744 1.00 0.30 S ATOM 0 H CYS A 86 -0.235 -12.577 -29.914 1.00 24.02 H new ATOM 0 HA CYS A 86 -0.451 -11.076 -27.501 1.00 13.14 H new ATOM 0 HB2 CYS A 86 -2.410 -12.995 -28.822 1.00 25.35 H new ATOM 0 HB3 CYS A 86 -2.805 -11.797 -27.605 1.00 25.35 H new ATOM 0 HG CYS A 86 -3.661 -10.349 -29.658 1.00 0.30 H new ATOM 1327 N ALA A 87 -0.442 -14.366 -27.294 1.00 75.52 N ATOM 1328 CA ALA A 87 -0.295 -15.482 -26.368 1.00 64.31 C ATOM 1329 C ALA A 87 1.005 -15.371 -25.578 1.00 32.33 C ATOM 1330 O ALA A 87 1.037 -15.637 -24.376 1.00 51.20 O ATOM 1331 CB ALA A 87 -0.345 -16.803 -27.121 1.00 73.51 C ATOM 0 H ALA A 87 -0.454 -14.633 -28.278 1.00 75.52 H new ATOM 0 HA ALA A 87 -1.124 -15.448 -25.661 1.00 64.31 H new ATOM 0 HB1 ALA A 87 -0.234 -17.628 -26.417 1.00 73.51 H new ATOM 0 HB2 ALA A 87 -1.301 -16.892 -27.636 1.00 73.51 H new ATOM 0 HB3 ALA A 87 0.464 -16.837 -27.850 1.00 73.51 H new ATOM 1337 N VAL A 88 2.075 -14.978 -26.260 1.00 45.22 N ATOM 1338 CA VAL A 88 3.378 -14.831 -25.622 1.00 31.35 C ATOM 1339 C VAL A 88 3.392 -13.641 -24.669 1.00 30.33 C ATOM 1340 O VAL A 88 3.952 -13.715 -23.575 1.00 73.32 O ATOM 1341 CB VAL A 88 4.497 -14.653 -26.664 1.00 65.22 C ATOM 1342 CG1 VAL A 88 5.820 -14.340 -25.980 1.00 75.13 C ATOM 1343 CG2 VAL A 88 4.618 -15.896 -27.533 1.00 25.21 C ATOM 0 H VAL A 88 2.066 -14.755 -27.255 1.00 45.22 H new ATOM 0 HA VAL A 88 3.559 -15.746 -25.059 1.00 31.35 H new ATOM 0 HB VAL A 88 4.240 -13.811 -27.307 1.00 65.22 H new ATOM 0 HG11 VAL A 88 6.599 -14.218 -26.733 1.00 75.13 H new ATOM 0 HG12 VAL A 88 5.723 -13.419 -25.405 1.00 75.13 H new ATOM 0 HG13 VAL A 88 6.087 -15.159 -25.312 1.00 75.13 H new ATOM 0 HG21 VAL A 88 5.414 -15.753 -28.264 1.00 25.21 H new ATOM 0 HG22 VAL A 88 4.852 -16.757 -26.906 1.00 25.21 H new ATOM 0 HG23 VAL A 88 3.675 -16.070 -28.052 1.00 25.21 H new ATOM 1353 N ALA A 89 2.772 -12.545 -25.091 1.00 53.53 N ATOM 1354 CA ALA A 89 2.711 -11.339 -24.274 1.00 55.25 C ATOM 1355 C ALA A 89 1.970 -11.598 -22.967 1.00 72.41 C ATOM 1356 O ALA A 89 2.420 -11.189 -21.896 1.00 54.04 O ATOM 1357 CB ALA A 89 2.042 -10.211 -25.047 1.00 60.31 C ATOM 0 H ALA A 89 2.304 -12.467 -25.994 1.00 53.53 H new ATOM 0 HA ALA A 89 3.731 -11.043 -24.030 1.00 55.25 H new ATOM 0 HB1 ALA A 89 2.003 -9.317 -24.425 1.00 60.31 H new ATOM 0 HB2 ALA A 89 2.614 -10.000 -25.951 1.00 60.31 H new ATOM 0 HB3 ALA A 89 1.029 -10.508 -25.320 1.00 60.31 H new ATOM 1363 N ILE A 90 0.833 -12.280 -23.062 1.00 1.23 N ATOM 1364 CA ILE A 90 0.031 -12.594 -21.886 1.00 0.32 C ATOM 1365 C ILE A 90 0.746 -13.593 -20.983 1.00 63.33 C ATOM 1366 O ILE A 90 0.833 -13.398 -19.772 1.00 3.04 O ATOM 1367 CB ILE A 90 -1.344 -13.166 -22.279 1.00 22.05 C ATOM 1368 CG1 ILE A 90 -2.130 -12.144 -23.102 1.00 42.22 C ATOM 1369 CG2 ILE A 90 -2.125 -13.567 -21.036 1.00 52.22 C ATOM 1370 CD1 ILE A 90 -3.358 -12.722 -23.771 1.00 5.25 C ATOM 0 H ILE A 90 0.447 -12.625 -23.941 1.00 1.23 H new ATOM 0 HA ILE A 90 -0.115 -11.659 -21.345 1.00 0.32 H new ATOM 0 HB ILE A 90 -1.190 -14.055 -22.891 1.00 22.05 H new ATOM 0 HG12 ILE A 90 -2.433 -11.322 -22.453 1.00 42.22 H new ATOM 0 HG13 ILE A 90 -1.475 -11.723 -23.865 1.00 42.22 H new ATOM 0 HG21 ILE A 90 -3.095 -13.969 -21.330 1.00 52.22 H new ATOM 0 HG22 ILE A 90 -1.569 -14.326 -20.486 1.00 52.22 H new ATOM 0 HG23 ILE A 90 -2.272 -12.693 -20.401 1.00 52.22 H new ATOM 0 HD11 ILE A 90 -3.866 -11.941 -24.337 1.00 5.25 H new ATOM 0 HD12 ILE A 90 -3.061 -13.524 -24.446 1.00 5.25 H new ATOM 0 HD13 ILE A 90 -4.033 -13.118 -23.012 1.00 5.25 H new ATOM 1382 N GLU A 91 1.258 -14.663 -21.583 1.00 63.44 N ATOM 1383 CA GLU A 91 1.967 -15.693 -20.833 1.00 63.10 C ATOM 1384 C GLU A 91 3.144 -15.095 -20.067 1.00 35.15 C ATOM 1385 O GLU A 91 3.441 -15.508 -18.946 1.00 63.13 O ATOM 1386 CB GLU A 91 2.464 -16.791 -21.776 1.00 21.45 C ATOM 1387 CG GLU A 91 1.372 -17.749 -22.224 1.00 5.53 C ATOM 1388 CD GLU A 91 1.872 -18.779 -23.217 1.00 62.32 C ATOM 1389 OE1 GLU A 91 2.357 -18.377 -24.296 1.00 0.24 O ATOM 1390 OE2 GLU A 91 1.779 -19.988 -22.917 1.00 55.31 O ATOM 0 H GLU A 91 1.195 -14.839 -22.586 1.00 63.44 H new ATOM 0 HA GLU A 91 1.271 -16.128 -20.115 1.00 63.10 H new ATOM 0 HB2 GLU A 91 2.912 -16.328 -22.655 1.00 21.45 H new ATOM 0 HB3 GLU A 91 3.251 -17.357 -21.278 1.00 21.45 H new ATOM 0 HG2 GLU A 91 0.961 -18.259 -21.353 1.00 5.53 H new ATOM 0 HG3 GLU A 91 0.558 -17.181 -22.674 1.00 5.53 H new ATOM 1397 N GLU A 92 3.808 -14.120 -20.680 1.00 31.52 N ATOM 1398 CA GLU A 92 4.952 -13.467 -20.056 1.00 2.23 C ATOM 1399 C GLU A 92 4.504 -12.560 -18.913 1.00 24.33 C ATOM 1400 O GLU A 92 5.090 -12.572 -17.831 1.00 24.53 O ATOM 1401 CB GLU A 92 5.730 -12.653 -21.092 1.00 4.13 C ATOM 1402 CG GLU A 92 7.154 -12.331 -20.669 1.00 31.23 C ATOM 1403 CD GLU A 92 8.189 -12.951 -21.587 1.00 45.51 C ATOM 1404 OE1 GLU A 92 8.302 -12.496 -22.745 1.00 20.10 O ATOM 1405 OE2 GLU A 92 8.887 -13.889 -21.149 1.00 12.14 O ATOM 0 H GLU A 92 3.573 -13.765 -21.607 1.00 31.52 H new ATOM 0 HA GLU A 92 5.603 -14.241 -19.649 1.00 2.23 H new ATOM 0 HB2 GLU A 92 5.755 -13.205 -22.031 1.00 4.13 H new ATOM 0 HB3 GLU A 92 5.198 -11.721 -21.284 1.00 4.13 H new ATOM 0 HG2 GLU A 92 7.289 -11.249 -20.654 1.00 31.23 H new ATOM 0 HG3 GLU A 92 7.316 -12.687 -19.652 1.00 31.23 H new ATOM 1412 N ALA A 93 3.462 -11.775 -19.162 1.00 52.21 N ATOM 1413 CA ALA A 93 2.934 -10.863 -18.155 1.00 31.13 C ATOM 1414 C ALA A 93 2.551 -11.612 -16.883 1.00 24.31 C ATOM 1415 O ALA A 93 2.850 -11.166 -15.775 1.00 1.22 O ATOM 1416 CB ALA A 93 1.734 -10.106 -18.705 1.00 22.12 C ATOM 0 H ALA A 93 2.966 -11.752 -20.053 1.00 52.21 H new ATOM 0 HA ALA A 93 3.717 -10.147 -17.903 1.00 31.13 H new ATOM 0 HB1 ALA A 93 1.350 -9.429 -17.942 1.00 22.12 H new ATOM 0 HB2 ALA A 93 2.036 -9.532 -19.581 1.00 22.12 H new ATOM 0 HB3 ALA A 93 0.955 -10.814 -18.987 1.00 22.12 H new ATOM 1422 N ILE A 94 1.889 -12.752 -17.050 1.00 11.03 N ATOM 1423 CA ILE A 94 1.466 -13.563 -15.914 1.00 43.53 C ATOM 1424 C ILE A 94 2.648 -14.305 -15.299 1.00 15.23 C ATOM 1425 O ILE A 94 2.703 -14.504 -14.086 1.00 3.34 O ATOM 1426 CB ILE A 94 0.389 -14.584 -16.322 1.00 75.33 C ATOM 1427 CG1 ILE A 94 0.947 -15.561 -17.359 1.00 41.13 C ATOM 1428 CG2 ILE A 94 -0.839 -13.870 -16.867 1.00 34.02 C ATOM 1429 CD1 ILE A 94 -0.074 -16.557 -17.863 1.00 40.30 C ATOM 0 H ILE A 94 1.634 -13.135 -17.960 1.00 11.03 H new ATOM 0 HA ILE A 94 1.045 -12.879 -15.176 1.00 43.53 H new ATOM 0 HB ILE A 94 0.094 -15.150 -15.439 1.00 75.33 H new ATOM 0 HG12 ILE A 94 1.339 -14.996 -18.205 1.00 41.13 H new ATOM 0 HG13 ILE A 94 1.786 -16.103 -16.921 1.00 41.13 H new ATOM 0 HG21 ILE A 94 -1.591 -14.606 -17.151 1.00 34.02 H new ATOM 0 HG22 ILE A 94 -1.247 -13.211 -16.100 1.00 34.02 H new ATOM 0 HG23 ILE A 94 -0.560 -13.281 -17.740 1.00 34.02 H new ATOM 0 HD11 ILE A 94 0.392 -17.217 -18.595 1.00 40.30 H new ATOM 0 HD12 ILE A 94 -0.449 -17.148 -17.028 1.00 40.30 H new ATOM 0 HD13 ILE A 94 -0.902 -16.024 -18.331 1.00 40.30 H new ATOM 1441 N GLN A 95 3.590 -14.710 -16.144 1.00 20.13 N ATOM 1442 CA GLN A 95 4.771 -15.429 -15.682 1.00 22.52 C ATOM 1443 C GLN A 95 5.629 -14.546 -14.782 1.00 21.42 C ATOM 1444 O GLN A 95 6.301 -15.035 -13.873 1.00 22.43 O ATOM 1445 CB GLN A 95 5.596 -15.917 -16.874 1.00 42.23 C ATOM 1446 CG GLN A 95 6.804 -16.751 -16.478 1.00 74.24 C ATOM 1447 CD GLN A 95 7.010 -17.947 -17.387 1.00 32.11 C ATOM 1448 OE1 GLN A 95 7.991 -18.016 -18.128 1.00 73.41 O ATOM 1449 NE2 GLN A 95 6.084 -18.898 -17.334 1.00 40.52 N ATOM 0 H GLN A 95 3.559 -14.553 -17.151 1.00 20.13 H new ATOM 0 HA GLN A 95 4.437 -16.290 -15.103 1.00 22.52 H new ATOM 0 HB2 GLN A 95 4.957 -16.508 -17.530 1.00 42.23 H new ATOM 0 HB3 GLN A 95 5.933 -15.055 -17.449 1.00 42.23 H new ATOM 0 HG2 GLN A 95 7.696 -16.125 -16.500 1.00 74.24 H new ATOM 0 HG3 GLN A 95 6.682 -17.096 -15.451 1.00 74.24 H new ATOM 0 HE21 GLN A 95 5.287 -18.799 -16.705 1.00 40.52 H new ATOM 0 HE22 GLN A 95 6.170 -19.727 -17.922 1.00 40.52 H new ATOM 1458 N LEU A 96 5.602 -13.244 -15.040 1.00 42.35 N ATOM 1459 CA LEU A 96 6.378 -12.291 -14.254 1.00 20.24 C ATOM 1460 C LEU A 96 5.595 -11.833 -13.027 1.00 44.23 C ATOM 1461 O LEU A 96 6.147 -11.723 -11.932 1.00 34.33 O ATOM 1462 CB LEU A 96 6.759 -11.083 -15.110 1.00 43.35 C ATOM 1463 CG LEU A 96 7.643 -11.373 -16.324 1.00 51.43 C ATOM 1464 CD1 LEU A 96 7.324 -10.411 -17.458 1.00 41.24 C ATOM 1465 CD2 LEU A 96 9.114 -11.285 -15.946 1.00 62.10 C ATOM 0 H LEU A 96 5.051 -12.823 -15.788 1.00 42.35 H new ATOM 0 HA LEU A 96 7.287 -12.790 -13.918 1.00 20.24 H new ATOM 0 HB2 LEU A 96 5.843 -10.606 -15.458 1.00 43.35 H new ATOM 0 HB3 LEU A 96 7.273 -10.361 -14.476 1.00 43.35 H new ATOM 0 HG LEU A 96 7.436 -12.387 -16.666 1.00 51.43 H new ATOM 0 HD11 LEU A 96 7.963 -10.632 -18.313 1.00 41.24 H new ATOM 0 HD12 LEU A 96 6.279 -10.523 -17.747 1.00 41.24 H new ATOM 0 HD13 LEU A 96 7.502 -9.388 -17.128 1.00 41.24 H new ATOM 0 HD21 LEU A 96 9.728 -11.494 -16.822 1.00 62.10 H new ATOM 0 HD22 LEU A 96 9.336 -10.283 -15.578 1.00 62.10 H new ATOM 0 HD23 LEU A 96 9.334 -12.014 -15.166 1.00 62.10 H new ATOM 1477 N TYR A 97 4.308 -11.568 -13.219 1.00 31.24 N ATOM 1478 CA TYR A 97 3.449 -11.122 -12.128 1.00 41.43 C ATOM 1479 C TYR A 97 3.410 -12.156 -11.007 1.00 52.42 C ATOM 1480 O TYR A 97 3.458 -11.809 -9.827 1.00 71.24 O ATOM 1481 CB TYR A 97 2.033 -10.856 -12.642 1.00 61.23 C ATOM 1482 CG TYR A 97 1.049 -10.500 -11.551 1.00 24.24 C ATOM 1483 CD1 TYR A 97 1.097 -9.261 -10.923 1.00 74.21 C ATOM 1484 CD2 TYR A 97 0.074 -11.403 -11.146 1.00 13.42 C ATOM 1485 CE1 TYR A 97 0.200 -8.932 -9.925 1.00 4.43 C ATOM 1486 CE2 TYR A 97 -0.827 -11.081 -10.149 1.00 74.04 C ATOM 1487 CZ TYR A 97 -0.760 -9.845 -9.542 1.00 1.42 C ATOM 1488 OH TYR A 97 -1.655 -9.521 -8.548 1.00 21.12 O ATOM 0 H TYR A 97 3.836 -11.654 -14.119 1.00 31.24 H new ATOM 0 HA TYR A 97 3.863 -10.196 -11.729 1.00 41.43 H new ATOM 0 HB2 TYR A 97 2.066 -10.044 -13.369 1.00 61.23 H new ATOM 0 HB3 TYR A 97 1.675 -11.741 -13.168 1.00 61.23 H new ATOM 0 HD1 TYR A 97 1.848 -8.544 -11.220 1.00 74.21 H new ATOM 0 HD2 TYR A 97 0.019 -12.373 -11.618 1.00 13.42 H new ATOM 0 HE1 TYR A 97 0.250 -7.965 -9.447 1.00 4.43 H new ATOM 0 HE2 TYR A 97 -1.580 -11.794 -9.847 1.00 74.04 H new ATOM 0 HH TYR A 97 -2.265 -10.273 -8.399 1.00 21.12 H new ATOM 1498 N GLU A 98 3.323 -13.427 -11.386 1.00 55.22 N ATOM 1499 CA GLU A 98 3.277 -14.512 -10.413 1.00 54.12 C ATOM 1500 C GLU A 98 4.684 -14.938 -10.006 1.00 44.51 C ATOM 1501 O GLU A 98 4.861 -15.900 -9.261 1.00 31.53 O ATOM 1502 CB GLU A 98 2.516 -15.709 -10.987 1.00 32.12 C ATOM 1503 CG GLU A 98 1.059 -15.411 -11.301 1.00 24.11 C ATOM 1504 CD GLU A 98 0.341 -16.596 -11.915 1.00 73.54 C ATOM 1505 OE1 GLU A 98 0.014 -16.533 -13.119 1.00 43.42 O ATOM 1506 OE2 GLU A 98 0.104 -17.587 -11.193 1.00 64.32 O ATOM 0 H GLU A 98 3.283 -13.730 -12.359 1.00 55.22 H new ATOM 0 HA GLU A 98 2.755 -14.149 -9.527 1.00 54.12 H new ATOM 0 HB2 GLU A 98 3.014 -16.043 -11.897 1.00 32.12 H new ATOM 0 HB3 GLU A 98 2.564 -16.534 -10.276 1.00 32.12 H new ATOM 0 HG2 GLU A 98 0.547 -15.115 -10.385 1.00 24.11 H new ATOM 0 HG3 GLU A 98 1.004 -14.564 -11.985 1.00 24.11 H new ATOM 1513 N GLU A 99 5.682 -14.213 -10.502 1.00 42.50 N ATOM 1514 CA GLU A 99 7.074 -14.516 -10.191 1.00 21.10 C ATOM 1515 C GLU A 99 7.681 -13.435 -9.302 1.00 2.32 C ATOM 1516 O GLU A 99 8.674 -13.669 -8.613 1.00 34.02 O ATOM 1517 CB GLU A 99 7.890 -14.651 -11.478 1.00 50.55 C ATOM 1518 CG GLU A 99 9.386 -14.765 -11.242 1.00 5.44 C ATOM 1519 CD GLU A 99 10.134 -15.266 -12.462 1.00 52.21 C ATOM 1520 OE1 GLU A 99 9.620 -15.087 -13.586 1.00 42.54 O ATOM 1521 OE2 GLU A 99 11.231 -15.837 -12.293 1.00 61.25 O ATOM 0 H GLU A 99 5.552 -13.412 -11.120 1.00 42.50 H new ATOM 0 HA GLU A 99 7.101 -15.463 -9.652 1.00 21.10 H new ATOM 0 HB2 GLU A 99 7.549 -15.531 -12.024 1.00 50.55 H new ATOM 0 HB3 GLU A 99 7.696 -13.787 -12.113 1.00 50.55 H new ATOM 0 HG2 GLU A 99 9.780 -13.790 -10.954 1.00 5.44 H new ATOM 0 HG3 GLU A 99 9.567 -15.441 -10.407 1.00 5.44 H new