USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 687 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 35 CYS SG : rot 130:sc= 0 USER MOD Set 1.2: A 88 MET CE :methyl -105:sc= -0.0406 (180deg=0) USER MOD Set 2.1: A 40 MET CE :methyl -115:sc= -3.65! (180deg=-7.63!) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= -0.0183 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.071 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.0711 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.2) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc=-0.00847 (180deg=-0.123) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.107 F(o=-0.67,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 48:sc= 1.14 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -2.11! C(o=-3.5!,f=-2.1!) USER MOD Single : A 36 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.56) USER MOD Single : A 43 TYR OH : rot -87:sc= 0.395 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 47 ASN :FLIP amide:sc=-0.00457 F(o=-2.1,f=-0.0046) USER MOD Single : A 52 SER OG : rot 40:sc= 0.343 USER MOD Single : A 54 SER OG : rot -75:sc= 0.733 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0327 K(o=-0.033,f=-3.7!) USER MOD Single : A 60 ASN : amide:sc= -3.1 K(o=-3.1,f=-4.2!) USER MOD Single : A 62 MET CE :methyl -111:sc= -0.0401 (180deg=-2.52!) USER MOD Single : A 63 ASN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0696 (180deg=-0.451) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 75 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.22) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -62:sc= 0.471 USER MOD Single : A 84 ASN : amide:sc= -3.73! C(o=-3.7!,f=-3.3!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -87:sc= 1.01 USER MOD Single : A 90 THR OG1 : rot 71:sc= 0.117 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 20:sc= 0.345 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.817 21.759 5.548 1.00 0.00 N ATOM 2 CA GLY A 1 3.400 21.165 4.360 1.00 0.00 C ATOM 3 C GLY A 1 4.669 21.870 3.922 1.00 0.00 C ATOM 4 O GLY A 1 4.925 23.006 4.321 1.00 0.00 O ATOM 0 H1 GLY A 1 2.836 21.069 6.326 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.364 22.601 5.819 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.833 22.033 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.620 20.115 4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.673 21.195 3.548 1.00 0.00 H new ATOM 8 N SER A 2 5.466 21.195 3.101 1.00 0.00 N ATOM 9 CA SER A 2 6.718 21.761 2.613 1.00 0.00 C ATOM 10 C SER A 2 7.011 21.290 1.192 1.00 0.00 C ATOM 11 O SER A 2 6.618 20.192 0.797 1.00 0.00 O ATOM 12 CB SER A 2 7.873 21.373 3.539 1.00 0.00 C ATOM 13 OG SER A 2 7.979 22.274 4.628 1.00 0.00 O ATOM 0 H SER A 2 5.267 20.255 2.759 1.00 0.00 H new ATOM 0 HA SER A 2 6.617 22.846 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.718 20.361 3.914 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.807 21.365 2.977 1.00 0.00 H new ATOM 0 HG SER A 2 7.110 22.697 4.788 1.00 0.00 H new ATOM 19 N SER A 3 7.703 22.129 0.428 1.00 0.00 N ATOM 20 CA SER A 3 8.045 21.802 -0.951 1.00 0.00 C ATOM 21 C SER A 3 9.526 21.456 -1.076 1.00 0.00 C ATOM 22 O SER A 3 10.394 22.283 -0.801 1.00 0.00 O ATOM 23 CB SER A 3 7.704 22.972 -1.875 1.00 0.00 C ATOM 24 OG SER A 3 8.183 22.741 -3.189 1.00 0.00 O ATOM 0 H SER A 3 8.038 23.040 0.741 1.00 0.00 H new ATOM 0 HA SER A 3 7.460 20.932 -1.247 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.624 23.118 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.141 23.890 -1.481 1.00 0.00 H new ATOM 0 HG SER A 3 7.951 23.503 -3.760 1.00 0.00 H new ATOM 30 N GLY A 4 9.807 20.225 -1.493 1.00 0.00 N ATOM 31 CA GLY A 4 11.183 19.790 -1.647 1.00 0.00 C ATOM 32 C GLY A 4 11.378 18.905 -2.862 1.00 0.00 C ATOM 33 O GLY A 4 11.890 19.354 -3.888 1.00 0.00 O ATOM 0 H GLY A 4 9.106 19.522 -1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.830 20.663 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.492 19.248 -0.753 1.00 0.00 H new ATOM 37 N SER A 5 10.972 17.645 -2.747 1.00 0.00 N ATOM 38 CA SER A 5 11.111 16.694 -3.844 1.00 0.00 C ATOM 39 C SER A 5 9.944 16.816 -4.819 1.00 0.00 C ATOM 40 O SER A 5 8.781 16.718 -4.428 1.00 0.00 O ATOM 41 CB SER A 5 11.190 15.266 -3.301 1.00 0.00 C ATOM 42 OG SER A 5 12.524 14.917 -2.974 1.00 0.00 O ATOM 0 H SER A 5 10.544 17.259 -1.906 1.00 0.00 H new ATOM 0 HA SER A 5 12.033 16.924 -4.378 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.560 15.175 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.800 14.569 -4.043 1.00 0.00 H new ATOM 0 HG SER A 5 12.547 14.000 -2.628 1.00 0.00 H new ATOM 48 N SER A 6 10.264 17.030 -6.091 1.00 0.00 N ATOM 49 CA SER A 6 9.244 17.170 -7.124 1.00 0.00 C ATOM 50 C SER A 6 8.069 16.234 -6.856 1.00 0.00 C ATOM 51 O SER A 6 8.255 15.077 -6.481 1.00 0.00 O ATOM 52 CB SER A 6 9.840 16.877 -8.502 1.00 0.00 C ATOM 53 OG SER A 6 10.712 17.916 -8.911 1.00 0.00 O ATOM 0 H SER A 6 11.222 17.110 -6.431 1.00 0.00 H new ATOM 0 HA SER A 6 8.880 18.197 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.383 15.932 -8.474 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.038 16.762 -9.232 1.00 0.00 H new ATOM 0 HG SER A 6 11.081 17.705 -9.794 1.00 0.00 H new ATOM 59 N GLY A 7 6.857 16.744 -7.052 1.00 0.00 N ATOM 60 CA GLY A 7 5.669 15.942 -6.827 1.00 0.00 C ATOM 61 C GLY A 7 4.400 16.771 -6.830 1.00 0.00 C ATOM 62 O GLY A 7 4.098 17.458 -5.855 1.00 0.00 O ATOM 0 H GLY A 7 6.677 17.699 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.600 15.176 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.759 15.425 -5.872 1.00 0.00 H new ATOM 66 N GLN A 8 3.657 16.709 -7.931 1.00 0.00 N ATOM 67 CA GLN A 8 2.415 17.463 -8.057 1.00 0.00 C ATOM 68 C GLN A 8 1.333 16.885 -7.151 1.00 0.00 C ATOM 69 O GLN A 8 1.263 15.673 -6.943 1.00 0.00 O ATOM 70 CB GLN A 8 1.936 17.457 -9.510 1.00 0.00 C ATOM 71 CG GLN A 8 1.464 16.094 -9.990 1.00 0.00 C ATOM 72 CD GLN A 8 2.608 15.201 -10.428 1.00 0.00 C ATOM 73 OE1 GLN A 8 2.871 14.165 -9.817 1.00 0.00 O ATOM 74 NE2 GLN A 8 3.296 15.598 -11.492 1.00 0.00 N ATOM 0 H GLN A 8 3.893 16.145 -8.747 1.00 0.00 H new ATOM 0 HA GLN A 8 2.610 18.490 -7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.121 18.173 -9.618 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.748 17.798 -10.153 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.911 15.603 -9.190 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.772 16.226 -10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.044 16.464 -11.969 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.077 15.037 -11.833 1.00 0.00 H new ATOM 83 N LYS A 9 0.491 17.760 -6.612 1.00 0.00 N ATOM 84 CA LYS A 9 -0.589 17.338 -5.727 1.00 0.00 C ATOM 85 C LYS A 9 -1.602 16.479 -6.477 1.00 0.00 C ATOM 86 O LYS A 9 -1.599 16.429 -7.706 1.00 0.00 O ATOM 87 CB LYS A 9 -1.287 18.559 -5.124 1.00 0.00 C ATOM 88 CG LYS A 9 -0.364 19.447 -4.308 1.00 0.00 C ATOM 89 CD LYS A 9 0.060 18.772 -3.014 1.00 0.00 C ATOM 90 CE LYS A 9 0.960 19.673 -2.184 1.00 0.00 C ATOM 91 NZ LYS A 9 0.233 20.871 -1.680 1.00 0.00 N ATOM 0 H LYS A 9 0.535 18.766 -6.772 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.156 16.741 -4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.727 19.149 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.107 18.222 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.519 19.694 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.868 20.386 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.824 18.506 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.583 17.843 -3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.360 19.110 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.811 19.991 -2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.811 21.350 -0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.051 21.524 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.671 20.577 -1.258 1.00 0.00 H new ATOM 105 N GLY A 10 -2.468 15.804 -5.728 1.00 0.00 N ATOM 106 CA GLY A 10 -3.476 14.957 -6.339 1.00 0.00 C ATOM 107 C GLY A 10 -4.039 13.935 -5.372 1.00 0.00 C ATOM 108 O GLY A 10 -5.255 13.773 -5.269 1.00 0.00 O ATOM 0 H GLY A 10 -2.490 15.828 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.287 15.579 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.042 14.441 -7.196 1.00 0.00 H new ATOM 112 N TRP A 11 -3.154 13.244 -4.662 1.00 0.00 N ATOM 113 CA TRP A 11 -3.571 12.231 -3.699 1.00 0.00 C ATOM 114 C TRP A 11 -4.311 12.866 -2.527 1.00 0.00 C ATOM 115 O TRP A 11 -3.824 13.817 -1.915 1.00 0.00 O ATOM 116 CB TRP A 11 -2.357 11.452 -3.191 1.00 0.00 C ATOM 117 CG TRP A 11 -2.716 10.334 -2.259 1.00 0.00 C ATOM 118 CD1 TRP A 11 -3.129 10.449 -0.962 1.00 0.00 C ATOM 119 CD2 TRP A 11 -2.693 8.933 -2.552 1.00 0.00 C ATOM 120 NE1 TRP A 11 -3.364 9.203 -0.432 1.00 0.00 N ATOM 121 CE2 TRP A 11 -3.104 8.256 -1.387 1.00 0.00 C ATOM 122 CE3 TRP A 11 -2.367 8.184 -3.686 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -3.196 6.868 -1.326 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -2.458 6.807 -3.624 1.00 0.00 C ATOM 125 CH2 TRP A 11 -2.870 6.160 -2.451 1.00 0.00 C ATOM 0 H TRP A 11 -2.144 13.367 -4.735 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.250 11.543 -4.203 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.813 11.045 -4.043 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.682 12.138 -2.680 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.253 11.382 -0.431 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.681 9.014 0.519 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.049 8.673 -4.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.513 6.368 -0.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.207 6.219 -4.494 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.931 5.082 -2.435 1.00 0.00 H new ATOM 136 N PHE A 12 -5.489 12.334 -2.218 1.00 0.00 N ATOM 137 CA PHE A 12 -6.296 12.849 -1.119 1.00 0.00 C ATOM 138 C PHE A 12 -6.222 11.923 0.091 1.00 0.00 C ATOM 139 O PHE A 12 -6.909 10.903 0.167 1.00 0.00 O ATOM 140 CB PHE A 12 -7.751 13.015 -1.561 1.00 0.00 C ATOM 141 CG PHE A 12 -7.967 14.176 -2.489 1.00 0.00 C ATOM 142 CD1 PHE A 12 -7.608 14.089 -3.824 1.00 0.00 C ATOM 143 CD2 PHE A 12 -8.530 15.355 -2.026 1.00 0.00 C ATOM 144 CE1 PHE A 12 -7.806 15.155 -4.681 1.00 0.00 C ATOM 145 CE2 PHE A 12 -8.730 16.424 -2.879 1.00 0.00 C ATOM 146 CZ PHE A 12 -8.367 16.325 -4.207 1.00 0.00 C ATOM 0 H PHE A 12 -5.906 11.546 -2.714 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.897 13.822 -0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.079 12.100 -2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.378 13.144 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.168 13.177 -4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.815 15.439 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.523 15.073 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.170 17.337 -2.506 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.521 17.160 -4.874 1.00 0.00 H new ATOM 156 N PRO A 13 -5.369 12.284 1.061 1.00 0.00 N ATOM 157 CA PRO A 13 -5.185 11.499 2.286 1.00 0.00 C ATOM 158 C PRO A 13 -6.403 11.557 3.201 1.00 0.00 C ATOM 159 O PRO A 13 -7.403 12.198 2.878 1.00 0.00 O ATOM 160 CB PRO A 13 -3.981 12.165 2.956 1.00 0.00 C ATOM 161 CG PRO A 13 -3.986 13.563 2.442 1.00 0.00 C ATOM 162 CD PRO A 13 -4.520 13.486 1.038 1.00 0.00 C ATOM 0 HA PRO A 13 -5.040 10.440 2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.070 12.142 4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.053 11.653 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.611 14.205 3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.982 13.987 2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.091 14.377 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.717 13.396 0.307 1.00 0.00 H new ATOM 170 N ALA A 14 -6.312 10.884 4.343 1.00 0.00 N ATOM 171 CA ALA A 14 -7.407 10.862 5.306 1.00 0.00 C ATOM 172 C ALA A 14 -7.422 12.132 6.150 1.00 0.00 C ATOM 173 O ALA A 14 -6.713 12.231 7.151 1.00 0.00 O ATOM 174 CB ALA A 14 -7.300 9.634 6.198 1.00 0.00 C ATOM 0 H ALA A 14 -5.492 10.347 4.624 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.345 10.815 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.123 9.630 6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.347 8.734 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.353 9.657 6.737 1.00 0.00 H new ATOM 180 N SER A 15 -8.233 13.101 5.738 1.00 0.00 N ATOM 181 CA SER A 15 -8.336 14.367 6.454 1.00 0.00 C ATOM 182 C SER A 15 -9.011 14.172 7.808 1.00 0.00 C ATOM 183 O SER A 15 -10.105 13.612 7.894 1.00 0.00 O ATOM 184 CB SER A 15 -9.119 15.385 5.623 1.00 0.00 C ATOM 185 OG SER A 15 -9.016 16.685 6.179 1.00 0.00 O ATOM 0 H SER A 15 -8.828 13.034 4.912 1.00 0.00 H new ATOM 0 HA SER A 15 -7.327 14.744 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.741 15.392 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.167 15.089 5.573 1.00 0.00 H new ATOM 0 HG SER A 15 -9.524 17.317 5.629 1.00 0.00 H new ATOM 191 N HIS A 16 -8.352 14.638 8.864 1.00 0.00 N ATOM 192 CA HIS A 16 -8.889 14.516 10.215 1.00 0.00 C ATOM 193 C HIS A 16 -10.162 15.343 10.371 1.00 0.00 C ATOM 194 O HIS A 16 -10.366 16.327 9.661 1.00 0.00 O ATOM 195 CB HIS A 16 -7.848 14.963 11.242 1.00 0.00 C ATOM 196 CG HIS A 16 -8.215 14.623 12.654 1.00 0.00 C ATOM 197 ND1 HIS A 16 -8.936 15.309 13.571 1.00 0.00 N flip ATOM 198 CD2 HIS A 16 -7.828 13.452 13.271 1.00 0.00 C flip ATOM 199 CE1 HIS A 16 -8.973 14.547 14.713 1.00 0.00 C flip ATOM 200 NE2 HIS A 16 -8.297 13.432 14.505 1.00 0.00 N flip ATOM 0 H HIS A 16 -7.446 15.103 8.811 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.134 13.468 10.389 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.891 14.500 11.002 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.709 16.041 11.161 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -7.234 12.673 12.816 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -9.473 14.816 15.631 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.160 12.682 15.183 1.00 0.00 H new ATOM 209 N VAL A 17 -11.016 14.935 11.304 1.00 0.00 N ATOM 210 CA VAL A 17 -12.269 15.637 11.554 1.00 0.00 C ATOM 211 C VAL A 17 -12.178 16.492 12.813 1.00 0.00 C ATOM 212 O VAL A 17 -11.762 16.018 13.870 1.00 0.00 O ATOM 213 CB VAL A 17 -13.445 14.653 11.698 1.00 0.00 C ATOM 214 CG1 VAL A 17 -13.196 13.689 12.849 1.00 0.00 C ATOM 215 CG2 VAL A 17 -14.750 15.409 11.898 1.00 0.00 C ATOM 0 H VAL A 17 -10.863 14.121 11.900 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.448 16.281 10.693 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.525 14.072 10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.037 13.001 12.936 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.283 13.124 12.659 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.089 14.250 13.777 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -15.570 14.698 11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -14.684 16.016 12.801 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -14.932 16.055 11.039 1.00 0.00 H new ATOM 225 N LYS A 18 -12.571 17.756 12.693 1.00 0.00 N ATOM 226 CA LYS A 18 -12.537 18.679 13.821 1.00 0.00 C ATOM 227 C LYS A 18 -13.818 18.581 14.643 1.00 0.00 C ATOM 228 O LYS A 18 -14.747 19.368 14.460 1.00 0.00 O ATOM 229 CB LYS A 18 -12.344 20.114 13.327 1.00 0.00 C ATOM 230 CG LYS A 18 -10.913 20.434 12.931 1.00 0.00 C ATOM 231 CD LYS A 18 -10.652 20.109 11.470 1.00 0.00 C ATOM 232 CE LYS A 18 -11.341 21.102 10.546 1.00 0.00 C ATOM 233 NZ LYS A 18 -10.777 21.062 9.169 1.00 0.00 N ATOM 0 H LYS A 18 -12.917 18.165 11.825 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.696 18.404 14.457 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.996 20.285 12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.658 20.804 14.110 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.712 21.490 13.111 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.226 19.867 13.559 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.579 20.118 11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.006 19.101 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.408 20.882 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.237 22.108 10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.273 21.753 8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.764 21.296 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.899 20.109 8.771 1.00 0.00 H new ATOM 247 N LEU A 19 -13.860 17.611 15.551 1.00 0.00 N ATOM 248 CA LEU A 19 -15.027 17.411 16.403 1.00 0.00 C ATOM 249 C LEU A 19 -15.019 18.388 17.575 1.00 0.00 C ATOM 250 O LEU A 19 -14.116 18.362 18.412 1.00 0.00 O ATOM 251 CB LEU A 19 -15.063 15.973 16.923 1.00 0.00 C ATOM 252 CG LEU A 19 -16.367 15.533 17.589 1.00 0.00 C ATOM 253 CD1 LEU A 19 -16.555 14.030 17.453 1.00 0.00 C ATOM 254 CD2 LEU A 19 -16.383 15.944 19.054 1.00 0.00 C ATOM 0 H LEU A 19 -13.100 16.951 15.716 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.919 17.597 15.805 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.859 15.301 16.089 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.252 15.847 17.640 1.00 0.00 H new ATOM 0 HG LEU A 19 -17.196 16.029 17.084 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.488 13.735 17.933 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.589 13.762 16.397 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.722 13.514 17.931 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.319 15.623 19.512 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.546 15.476 19.572 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.296 17.028 19.129 1.00 0.00 H new ATOM 266 N LEU A 20 -16.031 19.246 17.630 1.00 0.00 N ATOM 267 CA LEU A 20 -16.143 20.230 18.701 1.00 0.00 C ATOM 268 C LEU A 20 -16.636 19.580 19.989 1.00 0.00 C ATOM 269 O LEU A 20 -17.690 18.947 20.013 1.00 0.00 O ATOM 270 CB LEU A 20 -17.093 21.356 18.289 1.00 0.00 C ATOM 271 CG LEU A 20 -18.558 20.962 18.098 1.00 0.00 C ATOM 272 CD1 LEU A 20 -19.325 21.109 19.403 1.00 0.00 C ATOM 273 CD2 LEU A 20 -19.198 21.802 17.002 1.00 0.00 C ATOM 0 H LEU A 20 -16.786 19.280 16.945 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.152 20.647 18.882 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.044 22.140 19.044 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.729 21.788 17.357 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.596 19.916 17.795 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.366 20.824 19.248 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.881 20.463 20.161 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.279 22.145 19.738 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -20.240 21.508 16.880 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -19.148 22.856 17.275 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.664 21.645 16.065 1.00 0.00 H new ATOM 285 N GLY A 21 -15.865 19.741 21.061 1.00 0.00 N ATOM 286 CA GLY A 21 -16.241 19.166 22.339 1.00 0.00 C ATOM 287 C GLY A 21 -15.312 19.587 23.460 1.00 0.00 C ATOM 288 O GLY A 21 -14.197 20.056 23.228 1.00 0.00 O ATOM 0 H GLY A 21 -14.987 20.260 21.066 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.260 19.467 22.583 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.240 18.079 22.259 1.00 0.00 H new ATOM 292 N PRO A 22 -15.772 19.420 24.709 1.00 0.00 N ATOM 293 CA PRO A 22 -14.990 19.781 25.895 1.00 0.00 C ATOM 294 C PRO A 22 -13.796 18.856 26.107 1.00 0.00 C ATOM 295 O PRO A 22 -13.068 18.982 27.091 1.00 0.00 O ATOM 296 CB PRO A 22 -15.993 19.630 27.041 1.00 0.00 C ATOM 297 CG PRO A 22 -16.991 18.643 26.543 1.00 0.00 C ATOM 298 CD PRO A 22 -17.090 18.866 25.059 1.00 0.00 C ATOM 0 HA PRO A 22 -14.563 20.781 25.812 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -15.506 19.276 27.950 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.465 20.583 27.282 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.675 17.623 26.764 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -17.958 18.789 27.025 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -17.290 17.937 24.525 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -17.895 19.557 24.809 1.00 0.00 H new ATOM 306 N SER A 23 -13.602 17.927 25.176 1.00 0.00 N ATOM 307 CA SER A 23 -12.498 16.978 25.263 1.00 0.00 C ATOM 308 C SER A 23 -12.174 16.395 23.891 1.00 0.00 C ATOM 309 O SER A 23 -13.021 16.371 22.998 1.00 0.00 O ATOM 310 CB SER A 23 -12.841 15.852 26.240 1.00 0.00 C ATOM 311 OG SER A 23 -13.791 14.962 25.680 1.00 0.00 O ATOM 0 H SER A 23 -14.194 17.811 24.354 1.00 0.00 H new ATOM 0 HA SER A 23 -11.621 17.512 25.629 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.935 15.305 26.501 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.235 16.275 27.164 1.00 0.00 H new ATOM 0 HG SER A 23 -13.992 14.251 26.323 1.00 0.00 H new ATOM 317 N SER A 24 -10.941 15.925 23.731 1.00 0.00 N ATOM 318 CA SER A 24 -10.502 15.344 22.467 1.00 0.00 C ATOM 319 C SER A 24 -10.170 13.865 22.635 1.00 0.00 C ATOM 320 O SER A 24 -9.025 13.502 22.901 1.00 0.00 O ATOM 321 CB SER A 24 -9.281 16.096 21.933 1.00 0.00 C ATOM 322 OG SER A 24 -9.669 17.239 21.191 1.00 0.00 O ATOM 0 H SER A 24 -10.228 15.935 24.461 1.00 0.00 H new ATOM 0 HA SER A 24 -11.318 15.435 21.750 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.644 16.398 22.764 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.689 15.433 21.302 1.00 0.00 H new ATOM 0 HG SER A 24 -8.870 17.702 20.863 1.00 0.00 H new ATOM 328 N GLU A 25 -11.181 13.016 22.477 1.00 0.00 N ATOM 329 CA GLU A 25 -10.997 11.576 22.612 1.00 0.00 C ATOM 330 C GLU A 25 -11.033 10.893 21.248 1.00 0.00 C ATOM 331 O GLU A 25 -11.703 11.358 20.326 1.00 0.00 O ATOM 332 CB GLU A 25 -12.077 10.984 23.520 1.00 0.00 C ATOM 333 CG GLU A 25 -11.733 11.051 24.998 1.00 0.00 C ATOM 334 CD GLU A 25 -12.919 10.736 25.888 1.00 0.00 C ATOM 335 OE1 GLU A 25 -14.068 10.898 25.424 1.00 0.00 O ATOM 336 OE2 GLU A 25 -12.700 10.327 27.048 1.00 0.00 O ATOM 0 H GLU A 25 -12.135 13.301 22.256 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.019 11.401 23.061 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.014 11.514 23.349 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.244 9.944 23.241 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.927 10.349 25.212 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.360 12.047 25.235 1.00 0.00 H new ATOM 343 N ARG A 26 -10.306 9.786 21.128 1.00 0.00 N ATOM 344 CA ARG A 26 -10.253 9.040 19.877 1.00 0.00 C ATOM 345 C ARG A 26 -11.072 7.756 19.975 1.00 0.00 C ATOM 346 O ARG A 26 -10.886 6.958 20.894 1.00 0.00 O ATOM 347 CB ARG A 26 -8.804 8.707 19.518 1.00 0.00 C ATOM 348 CG ARG A 26 -8.611 8.314 18.062 1.00 0.00 C ATOM 349 CD ARG A 26 -7.178 7.887 17.785 1.00 0.00 C ATOM 350 NE ARG A 26 -6.933 7.689 16.359 1.00 0.00 N ATOM 351 CZ ARG A 26 -6.840 8.684 15.484 1.00 0.00 C ATOM 352 NH1 ARG A 26 -6.971 9.941 15.887 1.00 0.00 N ATOM 353 NH2 ARG A 26 -6.614 8.424 14.202 1.00 0.00 N ATOM 0 H ARG A 26 -9.746 9.387 21.882 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.680 9.664 19.092 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.177 9.571 19.738 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.459 7.892 20.154 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.290 7.499 17.811 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.872 9.155 17.419 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.493 8.643 18.169 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.965 6.962 18.321 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.828 6.734 16.016 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.144 10.146 16.871 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.899 10.703 15.213 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.512 7.459 13.888 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.543 9.189 13.531 1.00 0.00 H new ATOM 367 N ALA A 27 -11.978 7.563 19.022 1.00 0.00 N ATOM 368 CA ALA A 27 -12.823 6.376 19.000 1.00 0.00 C ATOM 369 C ALA A 27 -12.440 5.450 17.851 1.00 0.00 C ATOM 370 O ALA A 27 -13.021 5.515 16.766 1.00 0.00 O ATOM 371 CB ALA A 27 -14.288 6.774 18.894 1.00 0.00 C ATOM 0 H ALA A 27 -12.145 8.214 18.255 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.671 5.835 19.934 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.908 5.878 18.879 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.561 7.389 19.751 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -14.446 7.340 17.976 1.00 0.00 H new ATOM 377 N THR A 28 -11.457 4.588 18.093 1.00 0.00 N ATOM 378 CA THR A 28 -10.995 3.650 17.078 1.00 0.00 C ATOM 379 C THR A 28 -11.043 2.216 17.593 1.00 0.00 C ATOM 380 O THR A 28 -10.092 1.714 18.192 1.00 0.00 O ATOM 381 CB THR A 28 -9.559 3.974 16.626 1.00 0.00 C ATOM 382 OG1 THR A 28 -8.656 3.840 17.730 1.00 0.00 O ATOM 383 CG2 THR A 28 -9.474 5.385 16.064 1.00 0.00 C ATOM 0 H THR A 28 -10.965 4.520 18.984 1.00 0.00 H new ATOM 0 HA THR A 28 -11.667 3.750 16.226 1.00 0.00 H new ATOM 0 HB THR A 28 -9.281 3.270 15.842 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.824 2.990 18.188 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.450 5.591 15.751 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.141 5.476 15.206 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.770 6.101 16.831 1.00 0.00 H new ATOM 391 N PRO A 29 -12.175 1.538 17.353 1.00 0.00 N ATOM 392 CA PRO A 29 -12.373 0.151 17.784 1.00 0.00 C ATOM 393 C PRO A 29 -11.505 -0.829 17.000 1.00 0.00 C ATOM 394 O PRO A 29 -10.819 -1.668 17.582 1.00 0.00 O ATOM 395 CB PRO A 29 -13.855 -0.101 17.498 1.00 0.00 C ATOM 396 CG PRO A 29 -14.199 0.855 16.409 1.00 0.00 C ATOM 397 CD PRO A 29 -13.349 2.073 16.644 1.00 0.00 C ATOM 0 HA PRO A 29 -12.095 0.005 18.828 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.029 -1.132 17.189 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.464 0.073 18.385 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.997 0.421 15.430 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.259 1.108 16.432 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.068 2.554 15.707 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.873 2.820 17.241 1.00 0.00 H new ATOM 405 N ALA A 30 -11.540 -0.715 15.676 1.00 0.00 N ATOM 406 CA ALA A 30 -10.755 -1.588 14.813 1.00 0.00 C ATOM 407 C ALA A 30 -10.856 -1.154 13.355 1.00 0.00 C ATOM 408 O ALA A 30 -11.949 -0.904 12.845 1.00 0.00 O ATOM 409 CB ALA A 30 -11.210 -3.032 14.969 1.00 0.00 C ATOM 0 H ALA A 30 -12.104 -0.026 15.178 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.710 -1.513 15.115 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.615 -3.673 14.319 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.079 -3.345 16.005 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.262 -3.114 14.695 1.00 0.00 H new ATOM 415 N PHE A 31 -9.710 -1.066 12.688 1.00 0.00 N ATOM 416 CA PHE A 31 -9.669 -0.661 11.288 1.00 0.00 C ATOM 417 C PHE A 31 -9.738 -1.875 10.367 1.00 0.00 C ATOM 418 O PHE A 31 -9.051 -2.874 10.586 1.00 0.00 O ATOM 419 CB PHE A 31 -8.396 0.138 11.003 1.00 0.00 C ATOM 420 CG PHE A 31 -7.156 -0.709 10.954 1.00 0.00 C ATOM 421 CD1 PHE A 31 -6.800 -1.373 9.791 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.347 -0.842 12.071 1.00 0.00 C ATOM 423 CE1 PHE A 31 -5.660 -2.152 9.742 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.205 -1.619 12.028 1.00 0.00 C ATOM 425 CZ PHE A 31 -4.862 -2.277 10.863 1.00 0.00 C ATOM 0 H PHE A 31 -8.797 -1.270 13.095 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.537 -0.031 11.093 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.509 0.659 10.052 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.275 0.901 11.772 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.421 -1.280 8.912 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.612 -0.333 12.986 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.393 -2.663 8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.581 -1.712 12.905 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.972 -2.888 10.828 1.00 0.00 H new ATOM 435 N HIS A 32 -10.573 -1.783 9.337 1.00 0.00 N ATOM 436 CA HIS A 32 -10.733 -2.874 8.382 1.00 0.00 C ATOM 437 C HIS A 32 -10.022 -2.556 7.070 1.00 0.00 C ATOM 438 O HIS A 32 -10.553 -1.865 6.200 1.00 0.00 O ATOM 439 CB HIS A 32 -12.216 -3.139 8.122 1.00 0.00 C ATOM 440 CG HIS A 32 -12.865 -2.107 7.252 1.00 0.00 C ATOM 441 ND1 HIS A 32 -12.656 -0.773 7.155 1.00 0.00 N flip ATOM 442 CD2 HIS A 32 -13.861 -2.404 6.347 1.00 0.00 C flip ATOM 443 CE1 HIS A 32 -13.520 -0.294 6.202 1.00 0.00 C flip ATOM 444 NE2 HIS A 32 -14.236 -1.298 5.729 1.00 0.00 N flip ATOM 0 H HIS A 32 -11.149 -0.964 9.142 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.282 -3.769 8.811 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.325 -4.117 7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.742 -3.181 9.076 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -14.271 -3.387 6.170 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.601 0.737 5.890 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.956 -1.231 5.009 1.00 0.00 H new ATOM 453 N PRO A 33 -8.792 -3.070 6.922 1.00 0.00 N ATOM 454 CA PRO A 33 -7.983 -2.854 5.719 1.00 0.00 C ATOM 455 C PRO A 33 -8.542 -3.588 4.505 1.00 0.00 C ATOM 456 O PRO A 33 -9.353 -4.504 4.640 1.00 0.00 O ATOM 457 CB PRO A 33 -6.615 -3.423 6.105 1.00 0.00 C ATOM 458 CG PRO A 33 -6.909 -4.430 7.163 1.00 0.00 C ATOM 459 CD PRO A 33 -8.097 -3.903 7.918 1.00 0.00 C ATOM 0 HA PRO A 33 -7.957 -1.804 5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.121 -3.881 5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.951 -2.642 6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.126 -5.404 6.725 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.053 -4.562 7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.733 -4.710 8.281 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.794 -3.320 8.788 1.00 0.00 H new ATOM 467 N VAL A 34 -8.103 -3.179 3.319 1.00 0.00 N ATOM 468 CA VAL A 34 -8.558 -3.799 2.080 1.00 0.00 C ATOM 469 C VAL A 34 -7.928 -5.175 1.890 1.00 0.00 C ATOM 470 O VAL A 34 -8.603 -6.130 1.504 1.00 0.00 O ATOM 471 CB VAL A 34 -8.227 -2.922 0.858 1.00 0.00 C ATOM 472 CG1 VAL A 34 -8.541 -3.662 -0.432 1.00 0.00 C ATOM 473 CG2 VAL A 34 -8.987 -1.606 0.926 1.00 0.00 C ATOM 0 H VAL A 34 -7.433 -2.421 3.190 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.640 -3.905 2.159 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.160 -2.700 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.301 -3.026 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.947 -4.575 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.601 -3.916 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.741 -0.999 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.059 -1.805 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.706 -1.070 1.833 1.00 0.00 H new ATOM 483 N CYS A 35 -6.632 -5.268 2.163 1.00 0.00 N ATOM 484 CA CYS A 35 -5.909 -6.527 2.022 1.00 0.00 C ATOM 485 C CYS A 35 -4.471 -6.387 2.509 1.00 0.00 C ATOM 486 O CYS A 35 -3.948 -5.278 2.617 1.00 0.00 O ATOM 487 CB CYS A 35 -5.924 -6.987 0.563 1.00 0.00 C ATOM 488 SG CYS A 35 -4.663 -6.204 -0.470 1.00 0.00 S ATOM 0 H CYS A 35 -6.060 -4.487 2.483 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.409 -7.275 2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.784 -8.068 0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.906 -6.781 0.138 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.012 -7.117 -1.127 1.00 0.00 H new ATOM 494 N GLN A 36 -3.838 -7.518 2.803 1.00 0.00 N ATOM 495 CA GLN A 36 -2.461 -7.520 3.281 1.00 0.00 C ATOM 496 C GLN A 36 -1.498 -7.913 2.166 1.00 0.00 C ATOM 497 O GLN A 36 -1.590 -9.007 1.608 1.00 0.00 O ATOM 498 CB GLN A 36 -2.310 -8.479 4.463 1.00 0.00 C ATOM 499 CG GLN A 36 -1.101 -8.185 5.336 1.00 0.00 C ATOM 500 CD GLN A 36 -0.891 -9.230 6.414 1.00 0.00 C ATOM 501 OE1 GLN A 36 -1.824 -9.934 6.802 1.00 0.00 O ATOM 502 NE2 GLN A 36 0.338 -9.337 6.904 1.00 0.00 N ATOM 0 H GLN A 36 -4.257 -8.444 2.719 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.216 -6.510 3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.210 -8.431 5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.235 -9.499 4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.210 -8.130 4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.223 -7.207 5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.081 -8.733 6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.539 -10.023 7.631 1.00 0.00 H new ATOM 511 N VAL A 37 -0.573 -7.014 1.845 1.00 0.00 N ATOM 512 CA VAL A 37 0.408 -7.267 0.796 1.00 0.00 C ATOM 513 C VAL A 37 1.809 -7.413 1.379 1.00 0.00 C ATOM 514 O VAL A 37 2.023 -7.194 2.572 1.00 0.00 O ATOM 515 CB VAL A 37 0.415 -6.137 -0.250 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.920 -6.074 -0.977 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.736 -4.803 0.408 1.00 0.00 C ATOM 0 H VAL A 37 -0.482 -6.104 2.296 1.00 0.00 H new ATOM 0 HA VAL A 37 0.120 -8.199 0.311 1.00 0.00 H new ATOM 0 HB VAL A 37 1.192 -6.350 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.896 -5.270 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.104 -7.022 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.717 -5.885 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.737 -4.016 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.016 -4.580 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.718 -4.856 0.878 1.00 0.00 H new ATOM 527 N ILE A 38 2.761 -7.785 0.529 1.00 0.00 N ATOM 528 CA ILE A 38 4.143 -7.959 0.960 1.00 0.00 C ATOM 529 C ILE A 38 5.093 -7.118 0.113 1.00 0.00 C ATOM 530 O ILE A 38 5.006 -7.113 -1.115 1.00 0.00 O ATOM 531 CB ILE A 38 4.575 -9.435 0.882 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.615 -9.742 1.961 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.126 -9.754 -0.499 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.562 -11.168 2.464 1.00 0.00 C ATOM 0 H ILE A 38 2.601 -7.971 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 38 4.194 -7.628 1.997 1.00 0.00 H new ATOM 0 HB ILE A 38 3.702 -10.063 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.610 -9.543 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.466 -9.063 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.427 -10.801 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.357 -9.569 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.990 -9.121 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.327 -11.313 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.580 -11.366 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.741 -11.853 1.635 1.00 0.00 H new ATOM 546 N ALA A 39 5.999 -6.410 0.778 1.00 0.00 N ATOM 547 CA ALA A 39 6.968 -5.569 0.086 1.00 0.00 C ATOM 548 C ALA A 39 7.899 -6.405 -0.785 1.00 0.00 C ATOM 549 O ALA A 39 8.552 -7.330 -0.302 1.00 0.00 O ATOM 550 CB ALA A 39 7.772 -4.755 1.090 1.00 0.00 C ATOM 0 H ALA A 39 6.083 -6.402 1.795 1.00 0.00 H new ATOM 0 HA ALA A 39 6.420 -4.887 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.492 -4.132 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.099 -4.121 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.302 -5.429 1.763 1.00 0.00 H new ATOM 556 N MET A 40 7.954 -6.075 -2.071 1.00 0.00 N ATOM 557 CA MET A 40 8.805 -6.797 -3.010 1.00 0.00 C ATOM 558 C MET A 40 10.258 -6.348 -2.881 1.00 0.00 C ATOM 559 O MET A 40 11.180 -7.149 -3.032 1.00 0.00 O ATOM 560 CB MET A 40 8.318 -6.581 -4.443 1.00 0.00 C ATOM 561 CG MET A 40 6.955 -7.194 -4.720 1.00 0.00 C ATOM 562 SD MET A 40 6.629 -7.396 -6.482 1.00 0.00 S ATOM 563 CE MET A 40 6.764 -5.702 -7.048 1.00 0.00 C ATOM 0 H MET A 40 7.419 -5.312 -2.487 1.00 0.00 H new ATOM 0 HA MET A 40 8.748 -7.859 -2.771 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.274 -5.511 -4.646 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.046 -7.007 -5.134 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.891 -8.165 -4.229 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.182 -6.564 -4.281 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.795 -5.363 -7.414 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.082 -5.067 -6.222 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.497 -5.645 -7.853 1.00 0.00 H new ATOM 573 N TYR A 41 10.453 -5.064 -2.602 1.00 0.00 N ATOM 574 CA TYR A 41 11.793 -4.509 -2.456 1.00 0.00 C ATOM 575 C TYR A 41 11.850 -3.521 -1.295 1.00 0.00 C ATOM 576 O TYR A 41 10.864 -2.853 -0.984 1.00 0.00 O ATOM 577 CB TYR A 41 12.226 -3.818 -3.750 1.00 0.00 C ATOM 578 CG TYR A 41 11.612 -4.423 -4.993 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.203 -5.509 -5.625 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.441 -3.907 -5.534 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.647 -6.064 -6.762 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.877 -4.456 -6.669 1.00 0.00 C ATOM 583 CZ TYR A 41 10.483 -5.534 -7.280 1.00 0.00 C ATOM 584 OH TYR A 41 9.925 -6.084 -8.410 1.00 0.00 O ATOM 0 H TYR A 41 9.700 -4.388 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 41 12.477 -5.330 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.955 -2.763 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.312 -3.865 -3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.113 -5.927 -5.221 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.964 -3.063 -5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.121 -6.907 -7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.966 -4.043 -7.076 1.00 0.00 H new ATOM 0 HH TYR A 41 10.137 -7.040 -8.447 1.00 0.00 H new ATOM 594 N ASP A 42 13.013 -3.433 -0.658 1.00 0.00 N ATOM 595 CA ASP A 42 13.201 -2.526 0.468 1.00 0.00 C ATOM 596 C ASP A 42 12.856 -1.093 0.074 1.00 0.00 C ATOM 597 O ASP A 42 13.348 -0.579 -0.930 1.00 0.00 O ATOM 598 CB ASP A 42 14.644 -2.596 0.971 1.00 0.00 C ATOM 599 CG ASP A 42 14.753 -2.315 2.457 1.00 0.00 C ATOM 600 OD1 ASP A 42 14.209 -1.285 2.907 1.00 0.00 O ATOM 601 OD2 ASP A 42 15.383 -3.125 3.170 1.00 0.00 O ATOM 0 H ASP A 42 13.839 -3.979 -0.902 1.00 0.00 H new ATOM 0 HA ASP A 42 12.530 -2.836 1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.052 -3.585 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.252 -1.877 0.423 1.00 0.00 H new ATOM 606 N TYR A 43 12.007 -0.454 0.872 1.00 0.00 N ATOM 607 CA TYR A 43 11.593 0.918 0.605 1.00 0.00 C ATOM 608 C TYR A 43 12.114 1.864 1.683 1.00 0.00 C ATOM 609 O TYR A 43 12.079 1.547 2.872 1.00 0.00 O ATOM 610 CB TYR A 43 10.068 1.007 0.527 1.00 0.00 C ATOM 611 CG TYR A 43 9.571 2.152 -0.326 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.699 3.468 0.100 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.973 1.918 -1.558 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.246 4.518 -0.676 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.518 2.961 -2.341 1.00 0.00 C ATOM 616 CZ TYR A 43 8.657 4.259 -1.895 1.00 0.00 C ATOM 617 OH TYR A 43 8.204 5.301 -2.672 1.00 0.00 O ATOM 0 H TYR A 43 11.592 -0.864 1.709 1.00 0.00 H new ATOM 0 HA TYR A 43 12.017 1.218 -0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.678 0.071 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.667 1.115 1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.161 3.674 1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.862 0.903 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.353 5.535 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.056 2.761 -3.297 1.00 0.00 H new ATOM 0 HH TYR A 43 7.288 5.530 -2.410 1.00 0.00 H new ATOM 627 N ALA A 44 12.597 3.027 1.258 1.00 0.00 N ATOM 628 CA ALA A 44 13.123 4.021 2.186 1.00 0.00 C ATOM 629 C ALA A 44 12.536 5.399 1.904 1.00 0.00 C ATOM 630 O ALA A 44 12.910 6.058 0.935 1.00 0.00 O ATOM 631 CB ALA A 44 14.642 4.066 2.105 1.00 0.00 C ATOM 0 H ALA A 44 12.635 3.304 0.277 1.00 0.00 H new ATOM 0 HA ALA A 44 12.832 3.730 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.022 4.812 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.049 3.088 2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.945 4.330 1.092 1.00 0.00 H new ATOM 637 N ALA A 45 11.613 5.829 2.759 1.00 0.00 N ATOM 638 CA ALA A 45 10.975 7.131 2.602 1.00 0.00 C ATOM 639 C ALA A 45 12.006 8.254 2.619 1.00 0.00 C ATOM 640 O ALA A 45 12.763 8.399 3.577 1.00 0.00 O ATOM 641 CB ALA A 45 9.940 7.346 3.697 1.00 0.00 C ATOM 0 H ALA A 45 11.291 5.295 3.566 1.00 0.00 H new ATOM 0 HA ALA A 45 10.474 7.148 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.471 8.322 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.180 6.567 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.427 7.303 4.671 1.00 0.00 H new ATOM 647 N ASN A 46 12.030 9.045 1.551 1.00 0.00 N ATOM 648 CA ASN A 46 12.970 10.154 1.443 1.00 0.00 C ATOM 649 C ASN A 46 12.414 11.406 2.115 1.00 0.00 C ATOM 650 O ASN A 46 13.130 12.385 2.316 1.00 0.00 O ATOM 651 CB ASN A 46 13.280 10.446 -0.027 1.00 0.00 C ATOM 652 CG ASN A 46 14.226 9.427 -0.631 1.00 0.00 C ATOM 653 OD1 ASN A 46 15.355 9.261 -0.170 1.00 0.00 O ATOM 654 ND2 ASN A 46 13.767 8.738 -1.670 1.00 0.00 N ATOM 0 H ASN A 46 11.409 8.938 0.749 1.00 0.00 H new ATOM 0 HA ASN A 46 13.890 9.868 1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.351 10.457 -0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.718 11.440 -0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.358 8.038 -2.119 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.824 8.909 -2.019 1.00 0.00 H new ATOM 661 N ASN A 47 11.131 11.365 2.461 1.00 0.00 N ATOM 662 CA ASN A 47 10.478 12.495 3.111 1.00 0.00 C ATOM 663 C ASN A 47 9.618 12.028 4.282 1.00 0.00 C ATOM 664 O ASN A 47 9.515 10.831 4.548 1.00 0.00 O ATOM 665 CB ASN A 47 9.617 13.261 2.105 1.00 0.00 C ATOM 666 CG ASN A 47 9.081 12.367 1.004 1.00 0.00 C ATOM 667 OD1 ASN A 47 7.896 11.808 1.219 1.00 0.00 O flip ATOM 668 ND2 ASN A 47 9.726 12.180 -0.029 1.00 0.00 N flip ATOM 0 H ASN A 47 10.523 10.561 2.302 1.00 0.00 H new ATOM 0 HA ASN A 47 11.253 13.158 3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.783 13.729 2.627 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.207 14.064 1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.633 12.630 -0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.353 11.575 -0.761 1.00 0.00 H new ATOM 675 N GLU A 48 9.003 12.981 4.975 1.00 0.00 N ATOM 676 CA GLU A 48 8.153 12.666 6.117 1.00 0.00 C ATOM 677 C GLU A 48 6.718 12.402 5.669 1.00 0.00 C ATOM 678 O GLU A 48 5.774 12.579 6.439 1.00 0.00 O ATOM 679 CB GLU A 48 8.179 13.810 7.132 1.00 0.00 C ATOM 680 CG GLU A 48 7.675 15.131 6.574 1.00 0.00 C ATOM 681 CD GLU A 48 7.949 16.298 7.502 1.00 0.00 C ATOM 682 OE1 GLU A 48 7.795 16.130 8.730 1.00 0.00 O ATOM 683 OE2 GLU A 48 8.318 17.381 7.000 1.00 0.00 O ATOM 0 H GLU A 48 9.077 13.977 4.766 1.00 0.00 H new ATOM 0 HA GLU A 48 8.541 11.763 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.571 13.534 7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.200 13.943 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.149 15.319 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.602 15.059 6.393 1.00 0.00 H new ATOM 690 N ASP A 49 6.563 11.977 4.420 1.00 0.00 N ATOM 691 CA ASP A 49 5.244 11.687 3.870 1.00 0.00 C ATOM 692 C ASP A 49 5.178 10.258 3.341 1.00 0.00 C ATOM 693 O ASP A 49 4.094 9.716 3.125 1.00 0.00 O ATOM 694 CB ASP A 49 4.907 12.675 2.751 1.00 0.00 C ATOM 695 CG ASP A 49 4.205 13.916 3.266 1.00 0.00 C ATOM 696 OD1 ASP A 49 3.586 13.841 4.347 1.00 0.00 O ATOM 697 OD2 ASP A 49 4.274 14.962 2.587 1.00 0.00 O ATOM 0 H ASP A 49 7.334 11.826 3.770 1.00 0.00 H new ATOM 0 HA ASP A 49 4.512 11.793 4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.824 12.966 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.273 12.182 2.014 1.00 0.00 H new ATOM 702 N GLU A 50 6.344 9.655 3.132 1.00 0.00 N ATOM 703 CA GLU A 50 6.417 8.289 2.627 1.00 0.00 C ATOM 704 C GLU A 50 6.624 7.297 3.767 1.00 0.00 C ATOM 705 O GLU A 50 6.908 7.687 4.901 1.00 0.00 O ATOM 706 CB GLU A 50 7.553 8.159 1.610 1.00 0.00 C ATOM 707 CG GLU A 50 7.168 8.597 0.207 1.00 0.00 C ATOM 708 CD GLU A 50 8.371 8.773 -0.700 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.410 8.133 -0.436 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.273 9.551 -1.672 1.00 0.00 O ATOM 0 H GLU A 50 7.250 10.090 3.304 1.00 0.00 H new ATOM 0 HA GLU A 50 5.471 8.059 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.401 8.755 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.885 7.121 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.495 7.859 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.618 9.537 0.262 1.00 0.00 H new ATOM 717 N LEU A 51 6.479 6.013 3.460 1.00 0.00 N ATOM 718 CA LEU A 51 6.650 4.963 4.458 1.00 0.00 C ATOM 719 C LEU A 51 7.952 4.202 4.232 1.00 0.00 C ATOM 720 O LEU A 51 8.204 3.695 3.139 1.00 0.00 O ATOM 721 CB LEU A 51 5.466 3.995 4.416 1.00 0.00 C ATOM 722 CG LEU A 51 5.067 3.363 5.750 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.990 2.310 5.542 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.282 2.757 6.438 1.00 0.00 C ATOM 0 H LEU A 51 6.243 5.674 2.527 1.00 0.00 H new ATOM 0 HA LEU A 51 6.693 5.434 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.602 4.526 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.701 3.195 3.714 1.00 0.00 H new ATOM 0 HG LEU A 51 4.662 4.145 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.719 1.872 6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.111 2.772 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.367 1.530 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.979 2.312 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.717 1.989 5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.022 3.536 6.623 1.00 0.00 H new ATOM 736 N SER A 52 8.775 4.125 5.273 1.00 0.00 N ATOM 737 CA SER A 52 10.052 3.427 5.187 1.00 0.00 C ATOM 738 C SER A 52 9.929 2.002 5.718 1.00 0.00 C ATOM 739 O SER A 52 9.679 1.788 6.905 1.00 0.00 O ATOM 740 CB SER A 52 11.125 4.184 5.972 1.00 0.00 C ATOM 741 OG SER A 52 10.713 4.414 7.308 1.00 0.00 O ATOM 0 H SER A 52 8.580 4.537 6.185 1.00 0.00 H new ATOM 0 HA SER A 52 10.343 3.382 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.054 3.613 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.334 5.136 5.484 1.00 0.00 H new ATOM 0 HG SER A 52 10.255 3.618 7.651 1.00 0.00 H new ATOM 747 N PHE A 53 10.107 1.029 4.831 1.00 0.00 N ATOM 748 CA PHE A 53 10.016 -0.377 5.208 1.00 0.00 C ATOM 749 C PHE A 53 11.036 -1.214 4.442 1.00 0.00 C ATOM 750 O PHE A 53 11.671 -0.731 3.504 1.00 0.00 O ATOM 751 CB PHE A 53 8.604 -0.906 4.946 1.00 0.00 C ATOM 752 CG PHE A 53 8.122 -0.659 3.545 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.411 -1.556 2.530 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.379 0.471 3.243 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.969 -1.330 1.240 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.934 0.703 1.955 1.00 0.00 C ATOM 757 CZ PHE A 53 7.229 -0.200 0.953 1.00 0.00 C ATOM 0 H PHE A 53 10.315 1.188 3.845 1.00 0.00 H new ATOM 0 HA PHE A 53 10.235 -0.457 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.583 -1.977 5.145 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.913 -0.438 5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.988 -2.442 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.145 1.179 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.202 -2.037 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.357 1.588 1.733 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.881 -0.023 -0.054 1.00 0.00 H new ATOM 767 N SER A 54 11.187 -2.470 4.848 1.00 0.00 N ATOM 768 CA SER A 54 12.133 -3.373 4.204 1.00 0.00 C ATOM 769 C SER A 54 11.401 -4.497 3.477 1.00 0.00 C ATOM 770 O SER A 54 10.215 -4.734 3.708 1.00 0.00 O ATOM 771 CB SER A 54 13.095 -3.961 5.238 1.00 0.00 C ATOM 772 OG SER A 54 14.045 -2.997 5.657 1.00 0.00 O ATOM 0 H SER A 54 10.666 -2.886 5.620 1.00 0.00 H new ATOM 0 HA SER A 54 12.703 -2.801 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.532 -4.320 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.610 -4.822 4.812 1.00 0.00 H new ATOM 0 HG SER A 54 14.714 -2.869 4.952 1.00 0.00 H new ATOM 778 N LYS A 55 12.116 -5.188 2.595 1.00 0.00 N ATOM 779 CA LYS A 55 11.538 -6.288 1.833 1.00 0.00 C ATOM 780 C LYS A 55 10.872 -7.300 2.760 1.00 0.00 C ATOM 781 O LYS A 55 11.503 -7.827 3.675 1.00 0.00 O ATOM 782 CB LYS A 55 12.617 -6.979 0.997 1.00 0.00 C ATOM 783 CG LYS A 55 12.126 -8.225 0.280 1.00 0.00 C ATOM 784 CD LYS A 55 13.238 -8.883 -0.520 1.00 0.00 C ATOM 785 CE LYS A 55 12.693 -9.938 -1.469 1.00 0.00 C ATOM 786 NZ LYS A 55 13.771 -10.561 -2.286 1.00 0.00 N ATOM 0 H LYS A 55 13.098 -5.005 2.390 1.00 0.00 H new ATOM 0 HA LYS A 55 10.779 -5.877 1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.001 -6.274 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.451 -7.248 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.732 -8.934 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.304 -7.963 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.777 -8.125 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.956 -9.341 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.179 -10.710 -0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.953 -9.485 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.358 -11.275 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.245 -9.828 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.464 -11.016 -1.658 1.00 0.00 H new ATOM 800 N GLY A 56 9.593 -7.569 2.515 1.00 0.00 N ATOM 801 CA GLY A 56 8.864 -8.518 3.335 1.00 0.00 C ATOM 802 C GLY A 56 8.308 -7.888 4.597 1.00 0.00 C ATOM 803 O GLY A 56 8.188 -8.550 5.627 1.00 0.00 O ATOM 0 H GLY A 56 9.049 -7.146 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.045 -8.942 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.524 -9.342 3.605 1.00 0.00 H new ATOM 807 N GLN A 57 7.970 -6.605 4.516 1.00 0.00 N ATOM 808 CA GLN A 57 7.427 -5.885 5.662 1.00 0.00 C ATOM 809 C GLN A 57 5.913 -6.052 5.742 1.00 0.00 C ATOM 810 O GLN A 57 5.249 -6.278 4.729 1.00 0.00 O ATOM 811 CB GLN A 57 7.785 -4.400 5.574 1.00 0.00 C ATOM 812 CG GLN A 57 7.482 -3.625 6.847 1.00 0.00 C ATOM 813 CD GLN A 57 8.610 -3.699 7.857 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.786 -3.673 7.494 1.00 0.00 O ATOM 815 NE2 GLN A 57 8.256 -3.792 9.134 1.00 0.00 N ATOM 0 H GLN A 57 8.062 -6.043 3.670 1.00 0.00 H new ATOM 0 HA GLN A 57 7.868 -6.305 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.846 -4.304 5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.237 -3.951 4.746 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.292 -2.581 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.570 -4.016 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.269 -3.810 9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.972 -3.845 9.859 1.00 0.00 H new ATOM 824 N LEU A 58 5.374 -5.940 6.950 1.00 0.00 N ATOM 825 CA LEU A 58 3.937 -6.078 7.163 1.00 0.00 C ATOM 826 C LEU A 58 3.197 -4.821 6.717 1.00 0.00 C ATOM 827 O LEU A 58 3.239 -3.792 7.393 1.00 0.00 O ATOM 828 CB LEU A 58 3.645 -6.361 8.638 1.00 0.00 C ATOM 829 CG LEU A 58 2.327 -5.804 9.179 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.167 -6.217 8.287 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.097 -6.274 10.608 1.00 0.00 C ATOM 0 H LEU A 58 5.910 -5.754 7.798 1.00 0.00 H new ATOM 0 HA LEU A 58 3.584 -6.916 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.649 -7.441 8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.461 -5.953 9.234 1.00 0.00 H new ATOM 0 HG LEU A 58 2.387 -4.716 9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.238 -5.812 8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.327 -5.831 7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.104 -7.305 8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.155 -5.868 10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.057 -7.363 10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.914 -5.928 11.241 1.00 0.00 H new ATOM 843 N ILE A 59 2.518 -4.913 5.579 1.00 0.00 N ATOM 844 CA ILE A 59 1.766 -3.784 5.046 1.00 0.00 C ATOM 845 C ILE A 59 0.348 -4.198 4.668 1.00 0.00 C ATOM 846 O ILE A 59 0.142 -5.221 4.017 1.00 0.00 O ATOM 847 CB ILE A 59 2.459 -3.179 3.810 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.809 -2.574 4.201 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.568 -2.127 3.166 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.809 -2.548 3.067 1.00 0.00 C ATOM 0 H ILE A 59 2.473 -5.757 5.008 1.00 0.00 H new ATOM 0 HA ILE A 59 1.725 -3.032 5.834 1.00 0.00 H new ATOM 0 HB ILE A 59 2.634 -3.973 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.652 -1.557 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.227 -3.144 5.031 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.071 -1.709 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.628 -2.585 2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.366 -1.332 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.743 -2.106 3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.995 -3.565 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.411 -1.953 2.245 1.00 0.00 H new ATOM 862 N ASN A 60 -0.627 -3.393 5.079 1.00 0.00 N ATOM 863 CA ASN A 60 -2.027 -3.675 4.782 1.00 0.00 C ATOM 864 C ASN A 60 -2.662 -2.522 4.011 1.00 0.00 C ATOM 865 O ASN A 60 -2.874 -1.439 4.555 1.00 0.00 O ATOM 866 CB ASN A 60 -2.803 -3.927 6.076 1.00 0.00 C ATOM 867 CG ASN A 60 -2.605 -5.334 6.606 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.635 -5.613 7.311 1.00 0.00 O ATOM 869 ND2 ASN A 60 -3.525 -6.229 6.266 1.00 0.00 N ATOM 0 H ASN A 60 -0.473 -2.541 5.618 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.068 -4.570 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.485 -3.209 6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.865 -3.755 5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.444 -7.192 6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.313 -5.953 5.680 1.00 0.00 H new ATOM 876 N VAL A 61 -2.964 -2.764 2.739 1.00 0.00 N ATOM 877 CA VAL A 61 -3.577 -1.748 1.892 1.00 0.00 C ATOM 878 C VAL A 61 -4.943 -1.335 2.430 1.00 0.00 C ATOM 879 O VAL A 61 -5.852 -2.157 2.540 1.00 0.00 O ATOM 880 CB VAL A 61 -3.737 -2.246 0.443 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.284 -1.139 -0.445 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.410 -2.762 -0.092 1.00 0.00 C ATOM 0 H VAL A 61 -2.794 -3.655 2.273 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.911 -0.886 1.900 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.451 -3.070 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.390 -1.509 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.257 -0.820 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.597 -0.293 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.541 -3.110 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.673 -1.959 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.063 -3.587 0.530 1.00 0.00 H new ATOM 892 N MET A 62 -5.080 -0.055 2.762 1.00 0.00 N ATOM 893 CA MET A 62 -6.336 0.467 3.286 1.00 0.00 C ATOM 894 C MET A 62 -7.009 1.385 2.271 1.00 0.00 C ATOM 895 O MET A 62 -8.236 1.440 2.188 1.00 0.00 O ATOM 896 CB MET A 62 -6.092 1.225 4.593 1.00 0.00 C ATOM 897 CG MET A 62 -5.119 0.526 5.528 1.00 0.00 C ATOM 898 SD MET A 62 -4.581 1.582 6.887 1.00 0.00 S ATOM 899 CE MET A 62 -5.971 1.429 8.006 1.00 0.00 C ATOM 0 H MET A 62 -4.337 0.639 2.677 1.00 0.00 H new ATOM 0 HA MET A 62 -6.998 -0.377 3.481 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.710 2.219 4.361 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.043 1.361 5.107 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.590 -0.369 5.933 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.248 0.198 4.961 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.507 2.377 8.052 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.643 0.650 7.647 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.610 1.167 9.001 1.00 0.00 H new ATOM 909 N ASN A 63 -6.199 2.104 1.501 1.00 0.00 N ATOM 910 CA ASN A 63 -6.717 3.020 0.491 1.00 0.00 C ATOM 911 C ASN A 63 -5.913 2.917 -0.801 1.00 0.00 C ATOM 912 O ASN A 63 -4.781 3.395 -0.881 1.00 0.00 O ATOM 913 CB ASN A 63 -6.684 4.458 1.012 1.00 0.00 C ATOM 914 CG ASN A 63 -7.970 4.848 1.714 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.995 5.034 2.931 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.047 4.975 0.948 1.00 0.00 N ATOM 0 H ASN A 63 -5.181 2.070 1.557 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.749 2.741 0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.848 4.573 1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.507 5.139 0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.941 5.236 1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.981 4.811 -0.057 1.00 0.00 H new ATOM 923 N LYS A 64 -6.506 2.290 -1.812 1.00 0.00 N ATOM 924 CA LYS A 64 -5.847 2.125 -3.102 1.00 0.00 C ATOM 925 C LYS A 64 -6.638 2.815 -4.209 1.00 0.00 C ATOM 926 O LYS A 64 -6.744 2.300 -5.322 1.00 0.00 O ATOM 927 CB LYS A 64 -5.684 0.638 -3.428 1.00 0.00 C ATOM 928 CG LYS A 64 -6.997 -0.124 -3.465 1.00 0.00 C ATOM 929 CD LYS A 64 -6.861 -1.433 -4.224 1.00 0.00 C ATOM 930 CE LYS A 64 -6.870 -1.208 -5.729 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.185 -0.697 -6.205 1.00 0.00 N ATOM 0 H LYS A 64 -7.442 1.888 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.862 2.588 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.189 0.539 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.029 0.181 -2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.330 -0.326 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.763 0.492 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.934 -1.928 -3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.678 -2.100 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.087 -0.498 -5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.638 -2.144 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.284 -0.888 -7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.951 -1.174 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.240 0.328 -6.038 1.00 0.00 H new ATOM 945 N ASP A 65 -7.189 3.983 -3.896 1.00 0.00 N ATOM 946 CA ASP A 65 -7.967 4.745 -4.865 1.00 0.00 C ATOM 947 C ASP A 65 -7.226 4.853 -6.194 1.00 0.00 C ATOM 948 O ASP A 65 -7.822 4.720 -7.262 1.00 0.00 O ATOM 949 CB ASP A 65 -8.272 6.141 -4.321 1.00 0.00 C ATOM 950 CG ASP A 65 -7.032 6.845 -3.807 1.00 0.00 C ATOM 951 OD1 ASP A 65 -6.626 6.568 -2.659 1.00 0.00 O ATOM 952 OD2 ASP A 65 -6.468 7.673 -4.552 1.00 0.00 O ATOM 0 H ASP A 65 -7.111 4.422 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.905 4.217 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.728 6.743 -5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.002 6.062 -3.515 1.00 0.00 H new ATOM 957 N ASP A 66 -5.922 5.097 -6.119 1.00 0.00 N ATOM 958 CA ASP A 66 -5.098 5.223 -7.316 1.00 0.00 C ATOM 959 C ASP A 66 -4.342 3.928 -7.595 1.00 0.00 C ATOM 960 O ASP A 66 -3.655 3.383 -6.732 1.00 0.00 O ATOM 961 CB ASP A 66 -4.110 6.381 -7.160 1.00 0.00 C ATOM 962 CG ASP A 66 -4.781 7.735 -7.281 1.00 0.00 C ATOM 963 OD1 ASP A 66 -5.828 7.820 -7.957 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.260 8.708 -6.698 1.00 0.00 O ATOM 0 H ASP A 66 -5.413 5.211 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.756 5.427 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.619 6.308 -6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.332 6.295 -7.918 1.00 0.00 H new ATOM 969 N PRO A 67 -4.473 3.421 -8.830 1.00 0.00 N ATOM 970 CA PRO A 67 -3.811 2.183 -9.252 1.00 0.00 C ATOM 971 C PRO A 67 -2.300 2.346 -9.373 1.00 0.00 C ATOM 972 O PRO A 67 -1.594 1.413 -9.756 1.00 0.00 O ATOM 973 CB PRO A 67 -4.430 1.899 -10.623 1.00 0.00 C ATOM 974 CG PRO A 67 -4.867 3.232 -11.124 1.00 0.00 C ATOM 975 CD PRO A 67 -5.277 4.017 -9.910 1.00 0.00 C ATOM 0 HA PRO A 67 -3.953 1.379 -8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.706 1.440 -11.297 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.271 1.211 -10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.059 3.732 -11.657 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.697 3.133 -11.823 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.066 5.080 -10.029 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.345 3.924 -9.714 1.00 0.00 H new ATOM 983 N ASP A 68 -1.810 3.536 -9.043 1.00 0.00 N ATOM 984 CA ASP A 68 -0.381 3.821 -9.113 1.00 0.00 C ATOM 985 C ASP A 68 0.268 3.687 -7.739 1.00 0.00 C ATOM 986 O ASP A 68 1.299 3.031 -7.590 1.00 0.00 O ATOM 987 CB ASP A 68 -0.147 5.227 -9.667 1.00 0.00 C ATOM 988 CG ASP A 68 -1.183 5.622 -10.701 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.200 5.008 -11.788 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.976 6.546 -10.423 1.00 0.00 O ATOM 0 H ASP A 68 -2.381 4.319 -8.724 1.00 0.00 H new ATOM 0 HA ASP A 68 0.077 3.094 -9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.164 5.945 -8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.846 5.278 -10.114 1.00 0.00 H new ATOM 995 N TRP A 69 -0.342 4.313 -6.739 1.00 0.00 N ATOM 996 CA TRP A 69 0.178 4.265 -5.377 1.00 0.00 C ATOM 997 C TRP A 69 -0.874 3.729 -4.412 1.00 0.00 C ATOM 998 O TRP A 69 -2.068 3.971 -4.585 1.00 0.00 O ATOM 999 CB TRP A 69 0.633 5.656 -4.934 1.00 0.00 C ATOM 1000 CG TRP A 69 2.030 5.989 -5.363 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.477 6.152 -6.643 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.162 6.197 -4.512 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.818 6.449 -6.639 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.262 6.483 -5.344 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.353 6.171 -3.128 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.533 6.740 -4.835 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.615 6.426 -2.624 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.691 6.708 -3.476 1.00 0.00 C ATOM 0 H TRP A 69 -1.197 4.859 -6.845 1.00 0.00 H new ATOM 0 HA TRP A 69 1.034 3.590 -5.364 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.051 6.401 -5.340 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.568 5.723 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.866 6.061 -7.529 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.390 6.617 -7.466 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.529 5.955 -2.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.364 6.957 -5.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.774 6.408 -1.556 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.665 6.904 -3.052 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.422 3.001 -3.397 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.326 2.431 -2.405 1.00 0.00 C ATOM 1021 C TRP A 70 -0.942 2.878 -0.999 1.00 0.00 C ATOM 1022 O TRP A 70 0.200 3.265 -0.752 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.311 0.904 -2.489 1.00 0.00 C ATOM 1024 CG TRP A 70 -1.979 0.370 -3.720 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.838 1.041 -4.542 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.845 -0.947 -4.266 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.246 0.221 -5.567 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.650 -1.003 -5.421 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.121 -2.082 -3.893 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.750 -2.151 -6.202 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.222 -3.221 -4.670 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.030 -3.248 -5.814 1.00 0.00 C ATOM 0 H TRP A 70 0.564 2.792 -3.240 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.333 2.790 -2.619 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.278 0.556 -2.465 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.806 0.494 -1.609 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.151 2.066 -4.407 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.888 0.482 -6.315 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.494 -2.070 -3.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.374 -2.175 -7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.668 -4.105 -4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.086 -4.153 -6.401 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.903 2.823 -0.082 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.663 3.223 1.300 1.00 0.00 C ATOM 1045 C GLN A 71 -1.726 2.020 2.234 1.00 0.00 C ATOM 1046 O GLN A 71 -2.739 1.325 2.301 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.687 4.274 1.733 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.516 4.733 3.172 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.266 6.017 3.468 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.074 6.477 2.661 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -3.001 6.603 4.630 1.00 0.00 N ATOM 0 H GLN A 71 -2.854 2.506 -0.271 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.663 3.653 1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.610 5.138 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.690 3.866 1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.866 3.949 3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.456 4.880 3.379 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.324 6.186 5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.475 7.470 4.884 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.635 1.779 2.956 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.587 0.658 3.876 1.00 0.00 C ATOM 1062 C GLY A 72 -0.168 1.073 5.273 1.00 0.00 C ATOM 1063 O GLY A 72 0.061 2.253 5.534 1.00 0.00 O ATOM 0 H GLY A 72 0.216 2.340 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.568 0.185 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.110 -0.089 3.498 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.068 0.099 6.173 1.00 0.00 N ATOM 1068 CA GLU A 73 0.325 0.371 7.551 1.00 0.00 C ATOM 1069 C GLU A 73 1.430 -0.581 7.999 1.00 0.00 C ATOM 1070 O GLU A 73 1.506 -1.721 7.539 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.882 0.244 8.482 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.486 -1.150 8.510 1.00 0.00 C ATOM 1073 CD GLU A 73 -0.896 -2.020 9.602 1.00 0.00 C ATOM 1074 OE1 GLU A 73 0.131 -2.682 9.343 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -1.459 -2.039 10.717 1.00 0.00 O ATOM 0 H GLU A 73 -0.253 -0.884 5.973 1.00 0.00 H new ATOM 0 HA GLU A 73 0.707 1.391 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.581 0.521 9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.647 0.956 8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.563 -1.072 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.328 -1.630 7.544 1.00 0.00 H new ATOM 1082 N ILE A 74 2.284 -0.105 8.899 1.00 0.00 N ATOM 1083 CA ILE A 74 3.384 -0.913 9.410 1.00 0.00 C ATOM 1084 C ILE A 74 3.697 -0.560 10.860 1.00 0.00 C ATOM 1085 O ILE A 74 4.281 0.485 11.143 1.00 0.00 O ATOM 1086 CB ILE A 74 4.657 -0.731 8.563 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.324 -0.837 7.073 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.704 -1.764 8.952 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.440 -0.364 6.169 1.00 0.00 C ATOM 0 H ILE A 74 2.235 0.836 9.289 1.00 0.00 H new ATOM 0 HA ILE A 74 3.065 -1.954 9.352 1.00 0.00 H new ATOM 0 HB ILE A 74 5.065 0.261 8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.089 -1.874 6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.428 -0.252 6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.598 -1.623 8.345 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.958 -1.645 10.005 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.307 -2.765 8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.134 -0.468 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.660 0.683 6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.332 -0.965 6.347 1.00 0.00 H new ATOM 1101 N ASN A 75 3.307 -1.441 11.775 1.00 0.00 N ATOM 1102 CA ASN A 75 3.547 -1.224 13.197 1.00 0.00 C ATOM 1103 C ASN A 75 2.791 0.004 13.695 1.00 0.00 C ATOM 1104 O ASN A 75 3.365 0.880 14.342 1.00 0.00 O ATOM 1105 CB ASN A 75 5.045 -1.057 13.463 1.00 0.00 C ATOM 1106 CG ASN A 75 5.732 -2.378 13.749 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.283 -3.155 14.592 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.828 -2.639 13.046 1.00 0.00 N ATOM 0 H ASN A 75 2.823 -2.312 11.557 1.00 0.00 H new ATOM 0 HA ASN A 75 3.183 -2.097 13.739 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.514 -0.586 12.599 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.188 -0.385 14.309 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.333 -3.512 13.195 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.164 -1.966 12.357 1.00 0.00 H new ATOM 1115 N GLY A 76 1.498 0.061 13.390 1.00 0.00 N ATOM 1116 CA GLY A 76 0.684 1.184 13.815 1.00 0.00 C ATOM 1117 C GLY A 76 1.045 2.467 13.093 1.00 0.00 C ATOM 1118 O GLY A 76 0.577 3.546 13.456 1.00 0.00 O ATOM 0 H GLY A 76 1.000 -0.651 12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.367 0.955 13.638 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.803 1.329 14.889 1.00 0.00 H new ATOM 1122 N VAL A 77 1.882 2.352 12.067 1.00 0.00 N ATOM 1123 CA VAL A 77 2.307 3.511 11.292 1.00 0.00 C ATOM 1124 C VAL A 77 1.661 3.516 9.911 1.00 0.00 C ATOM 1125 O VAL A 77 1.372 2.461 9.344 1.00 0.00 O ATOM 1126 CB VAL A 77 3.838 3.549 11.130 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.261 2.806 9.872 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.335 4.986 11.102 1.00 0.00 C ATOM 0 H VAL A 77 2.280 1.467 11.753 1.00 0.00 H new ATOM 0 HA VAL A 77 1.986 4.394 11.844 1.00 0.00 H new ATOM 0 HB VAL A 77 4.289 3.049 11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.346 2.844 9.775 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.938 1.767 9.937 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.802 3.274 9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.419 4.994 10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.877 5.513 10.265 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.065 5.482 12.034 1.00 0.00 H new ATOM 1138 N THR A 78 1.436 4.711 9.372 1.00 0.00 N ATOM 1139 CA THR A 78 0.823 4.853 8.058 1.00 0.00 C ATOM 1140 C THR A 78 1.599 5.842 7.194 1.00 0.00 C ATOM 1141 O THR A 78 2.067 6.871 7.680 1.00 0.00 O ATOM 1142 CB THR A 78 -0.640 5.322 8.167 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.701 6.584 8.842 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.481 4.300 8.916 1.00 0.00 C ATOM 0 H THR A 78 1.670 5.594 9.826 1.00 0.00 H new ATOM 0 HA THR A 78 0.846 3.869 7.590 1.00 0.00 H new ATOM 0 HB THR A 78 -1.040 5.430 7.159 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.634 6.876 8.906 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.510 4.653 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.456 3.349 8.385 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.080 4.165 9.921 1.00 0.00 H new ATOM 1152 N GLY A 79 1.730 5.524 5.910 1.00 0.00 N ATOM 1153 CA GLY A 79 2.449 6.395 4.999 1.00 0.00 C ATOM 1154 C GLY A 79 1.958 6.272 3.571 1.00 0.00 C ATOM 1155 O GLY A 79 0.765 6.086 3.330 1.00 0.00 O ATOM 0 H GLY A 79 1.351 4.678 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.342 7.428 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.512 6.157 5.036 1.00 0.00 H new ATOM 1159 N LEU A 80 2.880 6.378 2.619 1.00 0.00 N ATOM 1160 CA LEU A 80 2.534 6.279 1.205 1.00 0.00 C ATOM 1161 C LEU A 80 3.595 5.495 0.439 1.00 0.00 C ATOM 1162 O LEU A 80 4.793 5.706 0.625 1.00 0.00 O ATOM 1163 CB LEU A 80 2.379 7.675 0.599 1.00 0.00 C ATOM 1164 CG LEU A 80 1.134 8.456 1.022 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.196 9.883 0.502 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.126 7.760 0.525 1.00 0.00 C ATOM 0 H LEU A 80 3.872 6.532 2.801 1.00 0.00 H new ATOM 0 HA LEU A 80 1.586 5.747 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.259 8.263 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.372 7.579 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 80 1.102 8.489 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.302 10.423 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.078 10.379 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.253 9.871 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.002 8.329 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.101 7.696 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.178 6.756 0.947 1.00 0.00 H new ATOM 1178 N PHE A 81 3.145 4.590 -0.424 1.00 0.00 N ATOM 1179 CA PHE A 81 4.055 3.775 -1.220 1.00 0.00 C ATOM 1180 C PHE A 81 3.398 3.345 -2.528 1.00 0.00 C ATOM 1181 O PHE A 81 2.175 3.256 -2.638 1.00 0.00 O ATOM 1182 CB PHE A 81 4.494 2.542 -0.428 1.00 0.00 C ATOM 1183 CG PHE A 81 3.348 1.744 0.124 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.455 1.111 -0.726 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.162 1.628 1.492 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.399 0.375 -0.222 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.108 0.894 2.002 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.224 0.268 1.144 1.00 0.00 C ATOM 0 H PHE A 81 2.156 4.403 -0.590 1.00 0.00 H new ATOM 0 HA PHE A 81 4.931 4.379 -1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.095 1.901 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.136 2.858 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.586 1.194 -1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.848 2.117 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.712 -0.116 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.975 0.810 3.070 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.398 -0.304 1.541 1.00 0.00 H new ATOM 1198 N PRO A 82 4.228 3.073 -3.546 1.00 0.00 N ATOM 1199 CA PRO A 82 3.751 2.648 -4.865 1.00 0.00 C ATOM 1200 C PRO A 82 3.160 1.243 -4.843 1.00 0.00 C ATOM 1201 O PRO A 82 3.617 0.378 -4.095 1.00 0.00 O ATOM 1202 CB PRO A 82 5.015 2.683 -5.727 1.00 0.00 C ATOM 1203 CG PRO A 82 6.136 2.498 -4.764 1.00 0.00 C ATOM 1204 CD PRO A 82 5.697 3.158 -3.486 1.00 0.00 C ATOM 0 HA PRO A 82 2.949 3.287 -5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.004 1.893 -6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.104 3.629 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.344 1.440 -4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.053 2.950 -5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.094 2.643 -2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.038 4.192 -3.430 1.00 0.00 H new ATOM 1212 N SER A 83 2.141 1.022 -5.667 1.00 0.00 N ATOM 1213 CA SER A 83 1.484 -0.279 -5.739 1.00 0.00 C ATOM 1214 C SER A 83 2.335 -1.274 -6.522 1.00 0.00 C ATOM 1215 O SER A 83 1.913 -2.400 -6.780 1.00 0.00 O ATOM 1216 CB SER A 83 0.108 -0.143 -6.392 1.00 0.00 C ATOM 1217 OG SER A 83 0.222 0.280 -7.740 1.00 0.00 O ATOM 0 H SER A 83 1.752 1.726 -6.294 1.00 0.00 H new ATOM 0 HA SER A 83 1.361 -0.653 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.414 -1.099 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.494 0.573 -5.833 1.00 0.00 H new ATOM 0 HG SER A 83 0.635 1.168 -7.770 1.00 0.00 H new ATOM 1223 N ASN A 84 3.537 -0.848 -6.898 1.00 0.00 N ATOM 1224 CA ASN A 84 4.449 -1.701 -7.652 1.00 0.00 C ATOM 1225 C ASN A 84 5.534 -2.274 -6.746 1.00 0.00 C ATOM 1226 O ASN A 84 6.315 -3.131 -7.160 1.00 0.00 O ATOM 1227 CB ASN A 84 5.089 -0.912 -8.797 1.00 0.00 C ATOM 1228 CG ASN A 84 6.369 -0.218 -8.375 1.00 0.00 C ATOM 1229 OD1 ASN A 84 7.359 -0.868 -8.040 1.00 0.00 O ATOM 1230 ND2 ASN A 84 6.355 1.110 -8.390 1.00 0.00 N ATOM 0 H ASN A 84 3.902 0.082 -6.693 1.00 0.00 H new ATOM 0 HA ASN A 84 3.873 -2.528 -8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.301 -1.587 -9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.380 -0.170 -9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.188 1.632 -8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.512 1.608 -8.675 1.00 0.00 H new ATOM 1237 N TYR A 85 5.575 -1.796 -5.507 1.00 0.00 N ATOM 1238 CA TYR A 85 6.565 -2.258 -4.542 1.00 0.00 C ATOM 1239 C TYR A 85 5.959 -3.286 -3.590 1.00 0.00 C ATOM 1240 O TYR A 85 6.539 -3.606 -2.552 1.00 0.00 O ATOM 1241 CB TYR A 85 7.123 -1.077 -3.746 1.00 0.00 C ATOM 1242 CG TYR A 85 8.344 -0.445 -4.377 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.265 0.183 -5.613 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.576 -0.477 -3.735 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.378 0.761 -6.193 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.694 0.100 -4.307 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.590 0.717 -5.536 1.00 0.00 C ATOM 1248 OH TYR A 85 11.701 1.292 -6.110 1.00 0.00 O ATOM 0 H TYR A 85 4.934 -1.089 -5.148 1.00 0.00 H new ATOM 0 HA TYR A 85 7.377 -2.733 -5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.345 -0.320 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.377 -1.414 -2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.317 0.220 -6.130 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.661 -0.961 -2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.299 1.245 -7.155 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.644 0.068 -3.794 1.00 0.00 H new ATOM 0 HH TYR A 85 12.473 1.175 -5.518 1.00 0.00 H new ATOM 1258 N VAL A 86 4.788 -3.800 -3.953 1.00 0.00 N ATOM 1259 CA VAL A 86 4.103 -4.793 -3.134 1.00 0.00 C ATOM 1260 C VAL A 86 3.318 -5.772 -3.999 1.00 0.00 C ATOM 1261 O VAL A 86 2.908 -5.443 -5.113 1.00 0.00 O ATOM 1262 CB VAL A 86 3.143 -4.127 -2.131 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.878 -3.090 -1.295 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.964 -3.498 -2.860 1.00 0.00 C ATOM 0 H VAL A 86 4.294 -3.545 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 86 4.872 -5.335 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 86 2.759 -4.894 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.183 -2.630 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.685 -3.573 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.293 -2.323 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.295 -3.032 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.328 -2.743 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.423 -4.268 -3.410 1.00 0.00 H new ATOM 1274 N LYS A 87 3.112 -6.978 -3.480 1.00 0.00 N ATOM 1275 CA LYS A 87 2.374 -8.007 -4.204 1.00 0.00 C ATOM 1276 C LYS A 87 1.384 -8.714 -3.284 1.00 0.00 C ATOM 1277 O LYS A 87 1.756 -9.212 -2.222 1.00 0.00 O ATOM 1278 CB LYS A 87 3.342 -9.026 -4.810 1.00 0.00 C ATOM 1279 CG LYS A 87 2.670 -10.026 -5.735 1.00 0.00 C ATOM 1280 CD LYS A 87 3.524 -11.268 -5.927 1.00 0.00 C ATOM 1281 CE LYS A 87 4.591 -11.052 -6.989 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.795 -11.893 -6.745 1.00 0.00 N ATOM 0 H LYS A 87 3.446 -7.267 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 87 1.816 -7.524 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.116 -8.495 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.840 -9.566 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.701 -10.309 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.482 -9.559 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.998 -11.534 -4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.889 -12.107 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.178 -11.285 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.879 -10.001 -7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.499 -11.717 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.204 -11.654 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.525 -12.897 -6.755 1.00 0.00 H new ATOM 1296 N MET A 88 0.123 -8.756 -3.701 1.00 0.00 N ATOM 1297 CA MET A 88 -0.920 -9.406 -2.915 1.00 0.00 C ATOM 1298 C MET A 88 -0.469 -10.788 -2.450 1.00 0.00 C ATOM 1299 O MET A 88 -0.187 -11.667 -3.265 1.00 0.00 O ATOM 1300 CB MET A 88 -2.206 -9.526 -3.734 1.00 0.00 C ATOM 1301 CG MET A 88 -2.776 -8.185 -4.169 1.00 0.00 C ATOM 1302 SD MET A 88 -4.516 -8.287 -4.629 1.00 0.00 S ATOM 1303 CE MET A 88 -5.096 -6.670 -4.121 1.00 0.00 C ATOM 0 H MET A 88 -0.202 -8.348 -4.578 1.00 0.00 H new ATOM 0 HA MET A 88 -1.114 -8.791 -2.036 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.009 -10.132 -4.618 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.954 -10.056 -3.145 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.660 -7.465 -3.359 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.202 -7.808 -5.015 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.675 -6.763 -3.202 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.242 -6.015 -3.947 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.724 -6.246 -4.904 1.00 0.00 H new ATOM 1313 N THR A 89 -0.403 -10.973 -1.135 1.00 0.00 N ATOM 1314 CA THR A 89 0.015 -12.246 -0.563 1.00 0.00 C ATOM 1315 C THR A 89 -0.896 -13.379 -1.019 1.00 0.00 C ATOM 1316 O THR A 89 -0.434 -14.483 -1.313 1.00 0.00 O ATOM 1317 CB THR A 89 0.020 -12.195 0.977 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.273 -11.811 1.459 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.067 -11.214 1.483 1.00 0.00 C ATOM 0 H THR A 89 -0.634 -10.257 -0.446 1.00 0.00 H new ATOM 0 HA THR A 89 1.029 -12.434 -0.917 1.00 0.00 H new ATOM 0 HB THR A 89 0.266 -13.189 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.332 -10.833 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.052 -11.195 2.573 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.053 -11.525 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.847 -10.217 1.100 1.00 0.00 H new ATOM 1327 N THR A 90 -2.195 -13.102 -1.078 1.00 0.00 N ATOM 1328 CA THR A 90 -3.172 -14.098 -1.499 1.00 0.00 C ATOM 1329 C THR A 90 -3.075 -15.358 -0.646 1.00 0.00 C ATOM 1330 O THR A 90 -3.271 -16.469 -1.138 1.00 0.00 O ATOM 1331 CB THR A 90 -2.983 -14.479 -2.980 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.879 -13.297 -3.781 1.00 0.00 O ATOM 1333 CG2 THR A 90 -4.144 -15.330 -3.472 1.00 0.00 C ATOM 0 H THR A 90 -2.595 -12.195 -0.839 1.00 0.00 H new ATOM 0 HA THR A 90 -4.157 -13.649 -1.369 1.00 0.00 H new ATOM 0 HB THR A 90 -2.064 -15.059 -3.068 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.022 -12.855 -3.603 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.989 -15.587 -4.520 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.203 -16.243 -2.880 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.074 -14.771 -3.370 1.00 0.00 H new ATOM 1341 N ASP A 91 -2.772 -15.177 0.635 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.650 -16.299 1.558 1.00 0.00 C ATOM 1343 C ASP A 91 -4.021 -16.733 2.068 1.00 0.00 C ATOM 1344 O ASP A 91 -4.677 -16.004 2.811 1.00 0.00 O ATOM 1345 CB ASP A 91 -1.749 -15.924 2.735 1.00 0.00 C ATOM 1346 CG ASP A 91 -1.667 -17.024 3.775 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -1.594 -18.208 3.383 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -1.675 -16.702 4.981 1.00 0.00 O ATOM 0 H ASP A 91 -2.606 -14.264 1.058 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.201 -17.134 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.748 -15.702 2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.126 -15.014 3.202 1.00 0.00 H new ATOM 1353 N SER A 92 -4.447 -17.926 1.664 1.00 0.00 N ATOM 1354 CA SER A 92 -5.741 -18.455 2.076 1.00 0.00 C ATOM 1355 C SER A 92 -5.716 -18.870 3.545 1.00 0.00 C ATOM 1356 O SER A 92 -4.656 -19.152 4.103 1.00 0.00 O ATOM 1357 CB SER A 92 -6.129 -19.650 1.204 1.00 0.00 C ATOM 1358 OG SER A 92 -6.548 -19.228 -0.082 1.00 0.00 O ATOM 0 H SER A 92 -3.914 -18.544 1.052 1.00 0.00 H new ATOM 0 HA SER A 92 -6.484 -17.667 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.279 -20.326 1.109 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.930 -20.210 1.685 1.00 0.00 H new ATOM 0 HG SER A 92 -6.789 -20.010 -0.621 1.00 0.00 H new ATOM 1364 N SER A 93 -6.892 -18.904 4.164 1.00 0.00 N ATOM 1365 CA SER A 93 -7.005 -19.280 5.568 1.00 0.00 C ATOM 1366 C SER A 93 -7.630 -20.665 5.711 1.00 0.00 C ATOM 1367 O SER A 93 -8.459 -20.896 6.590 1.00 0.00 O ATOM 1368 CB SER A 93 -7.842 -18.249 6.328 1.00 0.00 C ATOM 1369 OG SER A 93 -9.194 -18.278 5.904 1.00 0.00 O ATOM 0 H SER A 93 -7.779 -18.676 3.715 1.00 0.00 H new ATOM 0 HA SER A 93 -6.002 -19.308 5.993 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.789 -18.450 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.429 -17.253 6.170 1.00 0.00 H new ATOM 0 HG SER A 93 -9.708 -17.612 6.406 1.00 0.00 H new ATOM 1375 N GLY A 94 -7.227 -21.582 4.837 1.00 0.00 N ATOM 1376 CA GLY A 94 -7.757 -22.933 4.882 1.00 0.00 C ATOM 1377 C GLY A 94 -7.005 -23.881 3.968 1.00 0.00 C ATOM 1378 O GLY A 94 -6.557 -23.507 2.884 1.00 0.00 O ATOM 0 H GLY A 94 -6.543 -21.414 4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.709 -23.305 5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.809 -22.917 4.598 1.00 0.00 H new ATOM 1382 N PRO A 95 -6.858 -25.139 4.408 1.00 0.00 N ATOM 1383 CA PRO A 95 -6.155 -26.169 3.637 1.00 0.00 C ATOM 1384 C PRO A 95 -6.927 -26.591 2.392 1.00 0.00 C ATOM 1385 O PRO A 95 -8.150 -26.463 2.336 1.00 0.00 O ATOM 1386 CB PRO A 95 -6.048 -27.337 4.621 1.00 0.00 C ATOM 1387 CG PRO A 95 -7.183 -27.141 5.566 1.00 0.00 C ATOM 1388 CD PRO A 95 -7.367 -25.654 5.690 1.00 0.00 C ATOM 0 HA PRO A 95 -5.193 -25.815 3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.122 -28.296 4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.092 -27.328 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -8.089 -27.616 5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.965 -27.589 6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.414 -25.390 5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.810 -25.249 6.535 1.00 0.00 H new ATOM 1396 N SER A 96 -6.206 -27.094 1.395 1.00 0.00 N ATOM 1397 CA SER A 96 -6.824 -27.531 0.149 1.00 0.00 C ATOM 1398 C SER A 96 -6.734 -29.046 0.000 1.00 0.00 C ATOM 1399 O SER A 96 -5.657 -29.595 -0.233 1.00 0.00 O ATOM 1400 CB SER A 96 -6.152 -26.849 -1.045 1.00 0.00 C ATOM 1401 OG SER A 96 -6.212 -25.438 -0.926 1.00 0.00 O ATOM 0 H SER A 96 -5.193 -27.209 1.426 1.00 0.00 H new ATOM 0 HA SER A 96 -7.876 -27.248 0.175 1.00 0.00 H new ATOM 0 HB2 SER A 96 -5.112 -27.168 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 96 -6.641 -27.160 -1.968 1.00 0.00 H new ATOM 0 HG SER A 96 -5.775 -25.026 -1.700 1.00 0.00 H new ATOM 1407 N SER A 97 -7.874 -29.717 0.137 1.00 0.00 N ATOM 1408 CA SER A 97 -7.924 -31.170 0.022 1.00 0.00 C ATOM 1409 C SER A 97 -8.739 -31.590 -1.197 1.00 0.00 C ATOM 1410 O SER A 97 -9.885 -31.176 -1.365 1.00 0.00 O ATOM 1411 CB SER A 97 -8.527 -31.782 1.288 1.00 0.00 C ATOM 1412 OG SER A 97 -9.870 -31.364 1.467 1.00 0.00 O ATOM 0 H SER A 97 -8.775 -29.278 0.328 1.00 0.00 H new ATOM 0 HA SER A 97 -6.905 -31.536 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.487 -32.869 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.934 -31.491 2.155 1.00 0.00 H new ATOM 0 HG SER A 97 -10.228 -31.040 0.614 1.00 0.00 H new ATOM 1418 N GLY A 98 -8.137 -32.416 -2.047 1.00 0.00 N ATOM 1419 CA GLY A 98 -8.819 -32.880 -3.241 1.00 0.00 C ATOM 1420 C GLY A 98 -8.457 -32.067 -4.468 1.00 0.00 C ATOM 1421 O GLY A 98 -7.288 -31.751 -4.689 1.00 0.00 O ATOM 0 H GLY A 98 -7.188 -32.772 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.569 -33.926 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.896 -32.832 -3.082 1.00 0.00 H new TER 1425 GLY A 98