USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 502 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 65 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 GLN :FLIP amide:sc= -1.18 F(o=-2!,f=-1.2) USER MOD Set 2.1: A 15 ASN :FLIP amide:sc= -1.2 F(o=-24,f=-19) USER MOD Set 2.2: A 16 ASN : amide:sc= -2.83! C(o=-19!,f=-19!) USER MOD Set 2.3: A 20 THR OG1 : rot 82:sc= -1.83 USER MOD Set 2.4: A 34 GLN : amide:sc= -7.71! C(o=-19!,f=-23!) USER MOD Set 2.5: A 35 ASN : amide:sc= -5.45! C(o=-19!,f=-25!) USER MOD Set 3.1: A 12 ASN : amide:sc= -7.66! C(o=-9.7!,f=-19!) USER MOD Set 3.2: A 37 GLN : amide:sc= -2.07! K(o=-9.7!,f=-11) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.747 F(o=-1.8,f=-0.75) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -51:sc= 0.0086 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.7) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 87:sc= 0.611 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 96:sc= 0.144 USER MOD Single : A 57 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.4!) USER MOD Single : A 59 SER OG : rot -5:sc= 1.01 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.31! K(o=-1.3!,f=-2.2) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 91:sc= 0.488 USER MOD Single : A 71 THR OG1 : rot -135:sc= -0.0333 USER MOD Single : A 81 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.4) USER MOD Single : A 83 ASN : amide:sc= -4.23 K(o=-4.2,f=-6.1!) USER MOD Single : A 88 LYS NZ :NH3+ -132:sc= -1.9! (180deg=-4.7!) USER MOD Single : A 89 ASN : amide:sc= -0.288 K(o=-0.29,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 13 N MET A 2 3.799 6.626 -6.049 1.00 0.00 N ATOM 14 CA MET A 2 2.746 7.621 -6.234 1.00 0.00 C ATOM 15 C MET A 2 1.471 6.978 -6.770 1.00 0.00 C ATOM 16 O MET A 2 1.263 6.893 -7.980 1.00 0.00 O ATOM 17 CB MET A 2 3.212 8.721 -7.185 1.00 0.00 C ATOM 18 CG MET A 2 2.552 10.066 -6.929 1.00 0.00 C ATOM 19 SD MET A 2 3.667 11.453 -7.218 1.00 0.00 S ATOM 20 CE MET A 2 4.351 11.685 -5.579 1.00 0.00 C ATOM 0 HA MET A 2 2.528 8.060 -5.261 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.293 8.833 -7.096 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.007 8.414 -8.211 1.00 0.00 H new ATOM 0 HG2 MET A 2 1.679 10.166 -7.574 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.194 10.101 -5.900 1.00 0.00 H new ATOM 0 HE1 MET A 2 5.061 12.511 -5.595 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.547 11.911 -4.878 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.861 10.774 -5.265 1.00 0.00 H new ATOM 30 N ALA A 3 0.623 6.528 -5.856 1.00 0.00 N ATOM 31 CA ALA A 3 -0.638 5.891 -6.213 1.00 0.00 C ATOM 32 C ALA A 3 -1.623 5.988 -5.057 1.00 0.00 C ATOM 33 O ALA A 3 -2.452 5.103 -4.851 1.00 0.00 O ATOM 34 CB ALA A 3 -0.403 4.438 -6.594 1.00 0.00 C ATOM 0 H ALA A 3 0.788 6.593 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.063 6.409 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.353 3.973 -6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.274 4.390 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.038 3.907 -5.750 1.00 0.00 H new ATOM 40 N CYS A 4 -1.509 7.072 -4.301 1.00 0.00 N ATOM 41 CA CYS A 4 -2.369 7.306 -3.152 1.00 0.00 C ATOM 42 C CYS A 4 -3.768 7.730 -3.585 1.00 0.00 C ATOM 43 O CYS A 4 -3.928 8.659 -4.374 1.00 0.00 O ATOM 44 CB CYS A 4 -1.749 8.379 -2.250 1.00 0.00 C ATOM 45 SG CYS A 4 -1.513 9.994 -3.063 1.00 0.00 S ATOM 0 H CYS A 4 -0.823 7.808 -4.466 1.00 0.00 H new ATOM 0 HA CYS A 4 -2.458 6.372 -2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.385 8.515 -1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.784 8.022 -1.890 1.00 0.00 H new ATOM 50 N TRP A 5 -4.780 7.049 -3.057 1.00 0.00 N ATOM 51 CA TRP A 5 -6.163 7.371 -3.387 1.00 0.00 C ATOM 52 C TRP A 5 -6.484 8.820 -3.021 1.00 0.00 C ATOM 53 O TRP A 5 -7.453 9.395 -3.517 1.00 0.00 O ATOM 54 CB TRP A 5 -7.124 6.417 -2.669 1.00 0.00 C ATOM 55 CG TRP A 5 -6.932 6.376 -1.183 1.00 0.00 C ATOM 56 CD1 TRP A 5 -6.189 5.479 -0.477 1.00 0.00 C ATOM 57 CD2 TRP A 5 -7.503 7.267 -0.223 1.00 0.00 C ATOM 58 NE1 TRP A 5 -6.252 5.765 0.868 1.00 0.00 N ATOM 59 CE2 TRP A 5 -7.057 6.858 1.048 1.00 0.00 C ATOM 60 CE3 TRP A 5 -8.343 8.370 -0.320 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -7.429 7.522 2.215 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -8.715 9.030 0.835 1.00 0.00 C ATOM 63 CH2 TRP A 5 -8.257 8.604 2.089 1.00 0.00 C ATOM 0 H TRP A 5 -4.669 6.275 -2.402 1.00 0.00 H new ATOM 0 HA TRP A 5 -6.292 7.251 -4.463 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.149 6.716 -2.886 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -6.993 5.412 -3.071 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.631 4.662 -0.910 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.777 5.248 1.608 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.699 8.706 -1.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -7.077 7.195 3.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -9.369 9.887 0.771 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -8.564 9.141 2.974 1.00 0.00 H new ATOM 74 N ALA A 6 -5.658 9.408 -2.155 1.00 0.00 N ATOM 75 CA ALA A 6 -5.850 10.789 -1.730 1.00 0.00 C ATOM 76 C ALA A 6 -5.653 11.758 -2.891 1.00 0.00 C ATOM 77 O ALA A 6 -6.371 12.748 -3.010 1.00 0.00 O ATOM 78 CB ALA A 6 -4.895 11.129 -0.596 1.00 0.00 C ATOM 0 H ALA A 6 -4.850 8.947 -1.736 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.876 10.891 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.049 12.163 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.083 10.467 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.867 11.001 -0.935 1.00 0.00 H new ATOM 84 N GLN A 7 -4.675 11.472 -3.745 1.00 0.00 N ATOM 85 CA GLN A 7 -4.398 12.330 -4.893 1.00 0.00 C ATOM 86 C GLN A 7 -5.494 12.214 -5.950 1.00 0.00 C ATOM 87 O GLN A 7 -5.525 12.987 -6.908 1.00 0.00 O ATOM 88 CB GLN A 7 -3.032 11.997 -5.500 1.00 0.00 C ATOM 89 CG GLN A 7 -2.968 10.630 -6.158 1.00 0.00 C ATOM 90 CD GLN A 7 -2.080 10.616 -7.386 1.00 0.00 C ATOM 91 OE1 GLN A 7 -0.921 11.027 -7.333 1.00 0.00 O ATOM 92 NE2 GLN A 7 -2.622 10.142 -8.498 1.00 0.00 N ATOM 0 H GLN A 7 -4.065 10.659 -3.665 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.380 13.361 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -2.779 12.757 -6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.275 12.048 -4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.597 9.901 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -3.974 10.318 -6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.587 9.812 -8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.074 10.107 -9.358 1.00 0.00 H new ATOM 101 N SER A 8 -6.397 11.254 -5.769 1.00 0.00 N ATOM 102 CA SER A 8 -7.494 11.054 -6.708 1.00 0.00 C ATOM 103 C SER A 8 -8.463 12.233 -6.664 1.00 0.00 C ATOM 104 O SER A 8 -9.084 12.575 -7.671 1.00 0.00 O ATOM 105 CB SER A 8 -8.237 9.756 -6.389 1.00 0.00 C ATOM 106 OG SER A 8 -9.285 9.527 -7.316 1.00 0.00 O ATOM 0 H SER A 8 -6.390 10.605 -4.983 1.00 0.00 H new ATOM 0 HA SER A 8 -7.075 10.985 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.539 8.919 -6.410 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.645 9.805 -5.379 1.00 0.00 H new ATOM 0 HG SER A 8 -9.744 8.691 -7.091 1.00 0.00 H new ATOM 112 N GLN A 9 -8.585 12.853 -5.492 1.00 0.00 N ATOM 113 CA GLN A 9 -9.479 13.994 -5.326 1.00 0.00 C ATOM 114 C GLN A 9 -8.716 15.312 -5.441 1.00 0.00 C ATOM 115 O GLN A 9 -9.307 16.352 -5.737 1.00 0.00 O ATOM 116 CB GLN A 9 -10.210 13.922 -3.981 1.00 0.00 C ATOM 117 CG GLN A 9 -9.287 13.880 -2.774 1.00 0.00 C ATOM 118 CD GLN A 9 -9.722 12.858 -1.744 1.00 0.00 C ATOM 119 OE1 GLN A 9 -9.090 11.691 -1.764 1.00 0.00 O flip ATOM 120 NE2 GLN A 9 -10.616 13.115 -0.938 1.00 0.00 N flip ATOM 0 H GLN A 9 -8.078 12.585 -4.648 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.218 13.955 -6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.869 14.786 -3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.844 13.035 -3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.274 13.650 -3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.255 14.866 -2.311 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -11.075 14.026 -0.959 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.898 12.417 -0.249 1.00 0.00 H new ATOM 129 N GLY A 10 -7.404 15.269 -5.214 1.00 0.00 N ATOM 130 CA GLY A 10 -6.604 16.478 -5.312 1.00 0.00 C ATOM 131 C GLY A 10 -5.476 16.533 -4.299 1.00 0.00 C ATOM 132 O GLY A 10 -4.509 17.272 -4.482 1.00 0.00 O ATOM 0 H GLY A 10 -6.885 14.426 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.186 16.548 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.250 17.345 -5.174 1.00 0.00 H new ATOM 136 N TYR A 11 -5.596 15.757 -3.227 1.00 0.00 N ATOM 137 CA TYR A 11 -4.572 15.733 -2.187 1.00 0.00 C ATOM 138 C TYR A 11 -3.250 15.205 -2.735 1.00 0.00 C ATOM 139 O TYR A 11 -3.101 15.011 -3.941 1.00 0.00 O ATOM 140 CB TYR A 11 -5.034 14.875 -1.008 1.00 0.00 C ATOM 141 CG TYR A 11 -5.831 15.642 0.023 1.00 0.00 C ATOM 142 CD1 TYR A 11 -7.217 15.577 0.042 1.00 0.00 C ATOM 143 CD2 TYR A 11 -5.196 16.429 0.977 1.00 0.00 C ATOM 144 CE1 TYR A 11 -7.951 16.274 0.982 1.00 0.00 C ATOM 145 CE2 TYR A 11 -5.923 17.128 1.922 1.00 0.00 C ATOM 146 CZ TYR A 11 -7.300 17.048 1.920 1.00 0.00 C ATOM 147 OH TYR A 11 -8.028 17.743 2.858 1.00 0.00 O ATOM 0 H TYR A 11 -6.389 15.138 -3.055 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.415 16.755 -1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.640 14.051 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.161 14.434 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.730 14.971 -0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.118 16.495 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.029 16.213 0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.416 17.734 2.658 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.418 18.237 3.445 1.00 0.00 H new ATOM 157 N ASN A 12 -2.290 14.979 -1.844 1.00 0.00 N ATOM 158 CA ASN A 12 -0.981 14.478 -2.243 1.00 0.00 C ATOM 159 C ASN A 12 -0.642 13.189 -1.498 1.00 0.00 C ATOM 160 O ASN A 12 -1.290 12.847 -0.513 1.00 0.00 O ATOM 161 CB ASN A 12 0.091 15.535 -1.976 1.00 0.00 C ATOM 162 CG ASN A 12 0.302 15.789 -0.497 1.00 0.00 C ATOM 163 OD1 ASN A 12 0.605 14.872 0.263 1.00 0.00 O ATOM 164 ND2 ASN A 12 0.139 17.041 -0.082 1.00 0.00 N ATOM 0 H ASN A 12 -2.395 15.135 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.009 14.260 -3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.032 15.215 -2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.193 16.467 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.266 17.272 0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.113 17.771 -0.749 1.00 0.00 H new ATOM 171 N CYS A 13 0.373 12.478 -1.982 1.00 0.00 N ATOM 172 CA CYS A 13 0.795 11.227 -1.368 1.00 0.00 C ATOM 173 C CYS A 13 1.760 11.464 -0.211 1.00 0.00 C ATOM 174 O CYS A 13 2.590 12.373 -0.250 1.00 0.00 O ATOM 175 CB CYS A 13 1.450 10.328 -2.412 1.00 0.00 C ATOM 176 SG CYS A 13 0.372 9.903 -3.820 1.00 0.00 S ATOM 0 H CYS A 13 0.918 12.750 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.093 10.738 -0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.344 10.823 -2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.776 9.407 -1.928 1.00 0.00 H new ATOM 181 N CYS A 14 1.634 10.634 0.817 1.00 0.00 N ATOM 182 CA CYS A 14 2.479 10.729 2.001 1.00 0.00 C ATOM 183 C CYS A 14 3.594 9.698 1.962 1.00 0.00 C ATOM 184 O CYS A 14 3.358 8.508 2.172 1.00 0.00 O ATOM 185 CB CYS A 14 1.667 10.551 3.299 1.00 0.00 C ATOM 186 SG CYS A 14 -0.018 9.875 3.095 1.00 0.00 S ATOM 0 H CYS A 14 0.948 9.880 0.854 1.00 0.00 H new ATOM 0 HA CYS A 14 2.913 11.729 1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.224 9.893 3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.592 11.519 3.794 1.00 0.00 H new ATOM 191 N ASN A 15 4.812 10.167 1.709 1.00 0.00 N ATOM 192 CA ASN A 15 5.983 9.298 1.662 1.00 0.00 C ATOM 193 C ASN A 15 5.909 8.236 2.754 1.00 0.00 C ATOM 194 O ASN A 15 5.632 8.549 3.908 1.00 0.00 O ATOM 195 CB ASN A 15 7.245 10.138 1.839 1.00 0.00 C ATOM 196 CG ASN A 15 7.161 11.063 3.039 1.00 0.00 C ATOM 197 OD1 ASN A 15 7.467 10.534 4.218 1.00 0.00 O flip ATOM 198 ND2 ASN A 15 6.824 12.239 2.907 1.00 0.00 N flip ATOM 0 H ASN A 15 5.014 11.151 1.532 1.00 0.00 H new ATOM 0 HA ASN A 15 6.010 8.795 0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.105 9.478 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.414 10.729 0.939 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.598 12.604 1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.771 12.849 3.723 1.00 0.00 H new ATOM 205 N ASN A 16 6.137 6.978 2.386 1.00 0.00 N ATOM 206 CA ASN A 16 6.071 5.874 3.347 1.00 0.00 C ATOM 207 C ASN A 16 4.843 6.012 4.247 1.00 0.00 C ATOM 208 O ASN A 16 4.965 6.293 5.440 1.00 0.00 O ATOM 209 CB ASN A 16 7.340 5.801 4.211 1.00 0.00 C ATOM 210 CG ASN A 16 7.993 7.151 4.435 1.00 0.00 C ATOM 211 OD1 ASN A 16 7.782 7.792 5.464 1.00 0.00 O ATOM 212 ND2 ASN A 16 8.791 7.589 3.469 1.00 0.00 N ATOM 0 H ASN A 16 6.368 6.695 1.434 1.00 0.00 H new ATOM 0 HA ASN A 16 5.993 4.951 2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.089 5.362 5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.057 5.133 3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.258 8.491 3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.937 7.024 2.633 1.00 0.00 H new ATOM 219 N PRO A 17 3.640 5.817 3.683 1.00 0.00 N ATOM 220 CA PRO A 17 2.386 5.923 4.438 1.00 0.00 C ATOM 221 C PRO A 17 2.290 4.887 5.554 1.00 0.00 C ATOM 222 O PRO A 17 1.415 4.970 6.415 1.00 0.00 O ATOM 223 CB PRO A 17 1.302 5.677 3.383 1.00 0.00 C ATOM 224 CG PRO A 17 1.994 4.967 2.270 1.00 0.00 C ATOM 225 CD PRO A 17 3.406 5.479 2.268 1.00 0.00 C ATOM 0 HA PRO A 17 2.297 6.888 4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.488 5.076 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.866 6.615 3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.970 3.888 2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.505 5.166 1.316 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.108 4.725 1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.518 6.349 1.622 1.00 0.00 H new ATOM 233 N SER A 18 3.198 3.914 5.537 1.00 0.00 N ATOM 234 CA SER A 18 3.216 2.863 6.549 1.00 0.00 C ATOM 235 C SER A 18 3.836 3.356 7.856 1.00 0.00 C ATOM 236 O SER A 18 3.932 2.603 8.825 1.00 0.00 O ATOM 237 CB SER A 18 3.997 1.654 6.037 1.00 0.00 C ATOM 238 OG SER A 18 3.422 0.442 6.495 1.00 0.00 O ATOM 0 H SER A 18 3.931 3.832 4.833 1.00 0.00 H new ATOM 0 HA SER A 18 2.183 2.576 6.747 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.013 1.663 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.032 1.718 6.372 1.00 0.00 H new ATOM 0 HG SER A 18 3.940 -0.316 6.152 1.00 0.00 H new ATOM 244 N SER A 19 4.259 4.616 7.880 1.00 0.00 N ATOM 245 CA SER A 19 4.870 5.189 9.071 1.00 0.00 C ATOM 246 C SER A 19 4.339 6.594 9.340 1.00 0.00 C ATOM 247 O SER A 19 4.896 7.333 10.152 1.00 0.00 O ATOM 248 CB SER A 19 6.391 5.223 8.911 1.00 0.00 C ATOM 249 OG SER A 19 7.038 5.199 10.172 1.00 0.00 O ATOM 0 H SER A 19 4.190 5.257 7.090 1.00 0.00 H new ATOM 0 HA SER A 19 4.611 4.561 9.924 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.716 4.370 8.316 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.682 6.121 8.366 1.00 0.00 H new ATOM 0 HG SER A 19 6.656 5.893 10.749 1.00 0.00 H new ATOM 255 N THR A 20 3.261 6.961 8.651 1.00 0.00 N ATOM 256 CA THR A 20 2.659 8.269 8.813 1.00 0.00 C ATOM 257 C THR A 20 1.644 8.264 9.956 1.00 0.00 C ATOM 258 O THR A 20 0.933 7.280 10.163 1.00 0.00 O ATOM 259 CB THR A 20 1.983 8.680 7.504 1.00 0.00 C ATOM 260 OG1 THR A 20 2.933 9.190 6.587 1.00 0.00 O ATOM 261 CG2 THR A 20 0.913 9.727 7.681 1.00 0.00 C ATOM 0 H THR A 20 2.789 6.363 7.973 1.00 0.00 H new ATOM 0 HA THR A 20 3.439 8.989 9.061 1.00 0.00 H new ATOM 0 HB THR A 20 1.516 7.770 7.127 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.378 8.446 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.477 9.970 6.712 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.136 9.345 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.351 10.625 8.117 1.00 0.00 H new ATOM 269 N LYS A 21 1.578 9.372 10.685 1.00 0.00 N ATOM 270 CA LYS A 21 0.644 9.500 11.796 1.00 0.00 C ATOM 271 C LYS A 21 -0.682 10.075 11.311 1.00 0.00 C ATOM 272 O LYS A 21 -0.739 11.208 10.832 1.00 0.00 O ATOM 273 CB LYS A 21 1.233 10.395 12.888 1.00 0.00 C ATOM 274 CG LYS A 21 0.365 10.490 14.132 1.00 0.00 C ATOM 275 CD LYS A 21 -0.657 11.610 14.014 1.00 0.00 C ATOM 276 CE LYS A 21 -0.832 12.347 15.333 1.00 0.00 C ATOM 277 NZ LYS A 21 -0.101 13.643 15.345 1.00 0.00 N ATOM 0 H LYS A 21 2.160 10.194 10.526 1.00 0.00 H new ATOM 0 HA LYS A 21 0.467 8.508 12.212 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.215 10.013 13.169 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.384 11.396 12.483 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.149 9.542 14.292 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.995 10.662 15.005 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.341 12.312 13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.615 11.198 13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.892 12.526 15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.473 11.720 16.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.245 14.114 16.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.914 13.470 15.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.460 14.251 14.582 1.00 0.00 H new ATOM 291 N VAL A 22 -1.748 9.290 11.433 1.00 0.00 N ATOM 292 CA VAL A 22 -3.059 9.718 11.009 1.00 0.00 C ATOM 293 C VAL A 22 -3.790 10.403 12.148 1.00 0.00 C ATOM 294 O VAL A 22 -4.415 9.751 12.985 1.00 0.00 O ATOM 295 CB VAL A 22 -3.897 8.522 10.515 1.00 0.00 C ATOM 296 CG1 VAL A 22 -5.284 8.969 10.081 1.00 0.00 C ATOM 297 CG2 VAL A 22 -3.182 7.803 9.384 1.00 0.00 C ATOM 0 H VAL A 22 -1.719 8.349 11.826 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.926 10.422 10.188 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.016 7.825 11.344 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.854 8.106 9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.798 9.430 10.924 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.196 9.692 9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.788 6.962 9.047 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.027 8.493 8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.218 7.438 9.737 1.00 0.00 H new ATOM 307 N GLU A 23 -3.733 11.723 12.157 1.00 0.00 N ATOM 308 CA GLU A 23 -4.416 12.500 13.176 1.00 0.00 C ATOM 309 C GLU A 23 -5.837 12.785 12.721 1.00 0.00 C ATOM 310 O GLU A 23 -6.623 13.401 13.441 1.00 0.00 O ATOM 311 CB GLU A 23 -3.681 13.817 13.446 1.00 0.00 C ATOM 312 CG GLU A 23 -3.082 14.458 12.203 1.00 0.00 C ATOM 313 CD GLU A 23 -2.593 15.871 12.453 1.00 0.00 C ATOM 314 OE1 GLU A 23 -2.305 16.201 13.623 1.00 0.00 O ATOM 315 OE2 GLU A 23 -2.498 16.647 11.480 1.00 0.00 O ATOM 0 H GLU A 23 -3.222 12.279 11.471 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.432 11.925 14.102 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.375 14.520 13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.885 13.635 14.168 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.251 13.848 11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.829 14.471 11.410 1.00 0.00 H new ATOM 322 N TYR A 24 -6.159 12.333 11.511 1.00 0.00 N ATOM 323 CA TYR A 24 -7.491 12.547 10.952 1.00 0.00 C ATOM 324 C TYR A 24 -8.029 11.290 10.278 1.00 0.00 C ATOM 325 O TYR A 24 -7.333 10.648 9.493 1.00 0.00 O ATOM 326 CB TYR A 24 -7.468 13.703 9.953 1.00 0.00 C ATOM 327 CG TYR A 24 -8.833 14.289 9.678 1.00 0.00 C ATOM 328 CD1 TYR A 24 -9.699 13.688 8.772 1.00 0.00 C ATOM 329 CD2 TYR A 24 -9.257 15.441 10.328 1.00 0.00 C ATOM 330 CE1 TYR A 24 -10.950 14.221 8.520 1.00 0.00 C ATOM 331 CE2 TYR A 24 -10.506 15.980 10.080 1.00 0.00 C ATOM 332 CZ TYR A 24 -11.348 15.367 9.176 1.00 0.00 C ATOM 333 OH TYR A 24 -12.592 15.901 8.928 1.00 0.00 O ATOM 0 H TYR A 24 -5.521 11.820 10.903 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.157 12.796 11.779 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.814 14.488 10.333 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.036 13.354 9.015 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.390 12.791 8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -8.601 15.923 11.038 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.612 13.742 7.813 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.821 16.877 10.592 1.00 0.00 H new ATOM 0 HH TYR A 24 -12.717 16.707 9.472 1.00 0.00 H new ATOM 343 N THR A 25 -9.280 10.957 10.571 1.00 0.00 N ATOM 344 CA THR A 25 -9.915 9.788 9.975 1.00 0.00 C ATOM 345 C THR A 25 -11.428 9.959 9.926 1.00 0.00 C ATOM 346 O THR A 25 -12.099 9.964 10.957 1.00 0.00 O ATOM 347 CB THR A 25 -9.559 8.521 10.750 1.00 0.00 C ATOM 348 OG1 THR A 25 -8.208 8.556 11.178 1.00 0.00 O ATOM 349 CG2 THR A 25 -9.753 7.260 9.936 1.00 0.00 C ATOM 0 H THR A 25 -9.874 11.478 11.216 1.00 0.00 H new ATOM 0 HA THR A 25 -9.541 9.690 8.956 1.00 0.00 H new ATOM 0 HB THR A 25 -10.238 8.497 11.603 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.001 7.736 11.674 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.484 6.393 10.539 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.796 7.181 9.631 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.118 7.297 9.051 1.00 0.00 H new ATOM 357 N ASP A 26 -11.956 10.099 8.715 1.00 0.00 N ATOM 358 CA ASP A 26 -13.388 10.269 8.518 1.00 0.00 C ATOM 359 C ASP A 26 -13.931 9.182 7.590 1.00 0.00 C ATOM 360 O ASP A 26 -13.435 8.055 7.595 1.00 0.00 O ATOM 361 CB ASP A 26 -13.673 11.664 7.951 1.00 0.00 C ATOM 362 CG ASP A 26 -14.974 12.246 8.472 1.00 0.00 C ATOM 363 OD1 ASP A 26 -15.512 13.168 7.825 1.00 0.00 O ATOM 364 OD2 ASP A 26 -15.453 11.780 9.527 1.00 0.00 O ATOM 0 H ASP A 26 -11.410 10.098 7.853 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.894 10.175 9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.851 12.332 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.712 11.610 6.863 1.00 0.00 H new ATOM 369 N ALA A 27 -14.946 9.514 6.794 1.00 0.00 N ATOM 370 CA ALA A 27 -15.532 8.549 5.872 1.00 0.00 C ATOM 371 C ALA A 27 -14.757 8.484 4.558 1.00 0.00 C ATOM 372 O ALA A 27 -15.171 7.804 3.618 1.00 0.00 O ATOM 373 CB ALA A 27 -16.993 8.886 5.611 1.00 0.00 C ATOM 0 H ALA A 27 -15.376 10.439 6.770 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.473 7.566 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.417 8.157 4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.546 8.861 6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.064 9.882 5.175 1.00 0.00 H new ATOM 379 N SER A 28 -13.627 9.182 4.499 1.00 0.00 N ATOM 380 CA SER A 28 -12.795 9.186 3.303 1.00 0.00 C ATOM 381 C SER A 28 -11.588 8.273 3.494 1.00 0.00 C ATOM 382 O SER A 28 -11.010 7.777 2.527 1.00 0.00 O ATOM 383 CB SER A 28 -12.336 10.609 2.974 1.00 0.00 C ATOM 384 OG SER A 28 -13.051 11.567 3.734 1.00 0.00 O ATOM 0 H SER A 28 -13.268 9.751 5.265 1.00 0.00 H new ATOM 0 HA SER A 28 -13.388 8.812 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.269 10.705 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.480 10.804 1.911 1.00 0.00 H new ATOM 0 HG SER A 28 -12.737 12.467 3.505 1.00 0.00 H new ATOM 390 N GLY A 29 -11.219 8.051 4.753 1.00 0.00 N ATOM 391 CA GLY A 29 -10.090 7.195 5.058 1.00 0.00 C ATOM 392 C GLY A 29 -9.185 7.783 6.124 1.00 0.00 C ATOM 393 O GLY A 29 -9.645 8.516 7.001 1.00 0.00 O ATOM 0 H GLY A 29 -11.684 8.451 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.455 6.223 5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.512 7.024 4.150 1.00 0.00 H new ATOM 397 N GLN A 30 -7.898 7.461 6.049 1.00 0.00 N ATOM 398 CA GLN A 30 -6.927 7.961 7.015 1.00 0.00 C ATOM 399 C GLN A 30 -6.109 9.099 6.418 1.00 0.00 C ATOM 400 O GLN A 30 -5.625 8.998 5.292 1.00 0.00 O ATOM 401 CB GLN A 30 -5.999 6.830 7.462 1.00 0.00 C ATOM 402 CG GLN A 30 -6.440 6.154 8.749 1.00 0.00 C ATOM 403 CD GLN A 30 -5.436 5.130 9.243 1.00 0.00 C ATOM 404 OE1 GLN A 30 -4.927 5.231 10.358 1.00 0.00 O ATOM 405 NE2 GLN A 30 -5.147 4.136 8.411 1.00 0.00 N ATOM 0 H GLN A 30 -7.503 6.856 5.329 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.469 8.342 7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.943 6.083 6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.993 7.228 7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.591 6.910 9.519 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.402 5.667 8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.593 4.092 7.495 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.479 3.417 8.688 1.00 0.00 H new ATOM 414 N TRP A 31 -5.954 10.180 7.176 1.00 0.00 N ATOM 415 CA TRP A 31 -5.188 11.332 6.715 1.00 0.00 C ATOM 416 C TRP A 31 -4.206 11.796 7.784 1.00 0.00 C ATOM 417 O TRP A 31 -4.413 11.564 8.975 1.00 0.00 O ATOM 418 CB TRP A 31 -6.122 12.482 6.341 1.00 0.00 C ATOM 419 CG TRP A 31 -7.246 12.072 5.443 1.00 0.00 C ATOM 420 CD1 TRP A 31 -8.384 11.409 5.803 1.00 0.00 C ATOM 421 CD2 TRP A 31 -7.342 12.302 4.034 1.00 0.00 C ATOM 422 NE1 TRP A 31 -9.182 11.212 4.703 1.00 0.00 N ATOM 423 CE2 TRP A 31 -8.563 11.752 3.604 1.00 0.00 C ATOM 424 CE3 TRP A 31 -6.511 12.920 3.096 1.00 0.00 C ATOM 425 CZ2 TRP A 31 -8.973 11.804 2.272 1.00 0.00 C ATOM 426 CZ3 TRP A 31 -6.919 12.970 1.777 1.00 0.00 C ATOM 427 CH2 TRP A 31 -8.141 12.416 1.376 1.00 0.00 C ATOM 0 H TRP A 31 -6.348 10.282 8.111 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.626 11.027 5.832 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.535 12.915 7.252 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.543 13.265 5.851 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.622 11.087 6.806 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -10.087 10.741 4.703 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.567 13.351 3.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -9.914 11.376 1.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.285 13.444 1.043 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.432 12.473 0.338 1.00 0.00 H new ATOM 438 N GLY A 32 -3.138 12.454 7.351 1.00 0.00 N ATOM 439 CA GLY A 32 -2.142 12.942 8.282 1.00 0.00 C ATOM 440 C GLY A 32 -1.202 13.946 7.647 1.00 0.00 C ATOM 441 O GLY A 32 -1.202 14.124 6.429 1.00 0.00 O ATOM 0 H GLY A 32 -2.945 12.658 6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.640 13.403 9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.565 12.101 8.667 1.00 0.00 H new ATOM 445 N VAL A 33 -0.397 14.602 8.475 1.00 0.00 N ATOM 446 CA VAL A 33 0.555 15.591 7.989 1.00 0.00 C ATOM 447 C VAL A 33 1.974 15.038 8.003 1.00 0.00 C ATOM 448 O VAL A 33 2.592 14.915 9.061 1.00 0.00 O ATOM 449 CB VAL A 33 0.513 16.881 8.833 1.00 0.00 C ATOM 450 CG1 VAL A 33 1.532 17.891 8.322 1.00 0.00 C ATOM 451 CG2 VAL A 33 -0.886 17.476 8.830 1.00 0.00 C ATOM 0 H VAL A 33 -0.385 14.466 9.486 1.00 0.00 H new ATOM 0 HA VAL A 33 0.267 15.828 6.965 1.00 0.00 H new ATOM 0 HB VAL A 33 0.773 16.628 9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.486 18.794 8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.532 17.462 8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.308 18.141 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.896 18.385 9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.178 17.714 7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.588 16.756 9.250 1.00 0.00 H new ATOM 461 N GLN A 34 2.490 14.720 6.824 1.00 0.00 N ATOM 462 CA GLN A 34 3.843 14.196 6.707 1.00 0.00 C ATOM 463 C GLN A 34 4.765 15.235 6.091 1.00 0.00 C ATOM 464 O GLN A 34 4.402 15.902 5.125 1.00 0.00 O ATOM 465 CB GLN A 34 3.862 12.924 5.860 1.00 0.00 C ATOM 466 CG GLN A 34 5.042 12.022 6.171 1.00 0.00 C ATOM 467 CD GLN A 34 4.930 10.667 5.505 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.238 10.513 4.500 1.00 0.00 O ATOM 469 NE2 GLN A 34 5.615 9.678 6.063 1.00 0.00 N ATOM 0 H GLN A 34 1.994 14.815 5.938 1.00 0.00 H new ATOM 0 HA GLN A 34 4.197 13.955 7.709 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.937 12.372 6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.889 13.197 4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.962 12.508 5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.117 11.887 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.176 9.853 6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.581 8.742 5.658 1.00 0.00 H new ATOM 478 N ASN A 35 5.959 15.367 6.654 1.00 0.00 N ATOM 479 CA ASN A 35 6.940 16.327 6.157 1.00 0.00 C ATOM 480 C ASN A 35 6.304 17.694 5.895 1.00 0.00 C ATOM 481 O ASN A 35 6.774 18.456 5.050 1.00 0.00 O ATOM 482 CB ASN A 35 7.596 15.787 4.882 1.00 0.00 C ATOM 483 CG ASN A 35 6.665 15.810 3.683 1.00 0.00 C ATOM 484 OD1 ASN A 35 5.970 14.833 3.404 1.00 0.00 O ATOM 485 ND2 ASN A 35 6.649 16.927 2.967 1.00 0.00 N ATOM 0 H ASN A 35 6.273 14.821 7.456 1.00 0.00 H new ATOM 0 HA ASN A 35 7.703 16.462 6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.484 16.378 4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.930 14.764 5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.044 17.000 2.149 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.242 17.713 3.235 1.00 0.00 H new ATOM 492 N GLY A 36 5.236 17.998 6.628 1.00 0.00 N ATOM 493 CA GLY A 36 4.558 19.271 6.462 1.00 0.00 C ATOM 494 C GLY A 36 3.637 19.299 5.257 1.00 0.00 C ATOM 495 O GLY A 36 3.580 20.296 4.538 1.00 0.00 O ATOM 0 H GLY A 36 4.828 17.385 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.979 19.488 7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.301 20.062 6.363 1.00 0.00 H new ATOM 499 N GLN A 37 2.913 18.206 5.034 1.00 0.00 N ATOM 500 CA GLN A 37 1.990 18.120 3.905 1.00 0.00 C ATOM 501 C GLN A 37 0.825 17.179 4.211 1.00 0.00 C ATOM 502 O GLN A 37 0.999 16.157 4.874 1.00 0.00 O ATOM 503 CB GLN A 37 2.732 17.646 2.651 1.00 0.00 C ATOM 504 CG GLN A 37 3.255 16.223 2.755 1.00 0.00 C ATOM 505 CD GLN A 37 2.974 15.402 1.513 1.00 0.00 C ATOM 506 OE1 GLN A 37 3.126 15.881 0.389 1.00 0.00 O ATOM 507 NE2 GLN A 37 2.562 14.156 1.712 1.00 0.00 N ATOM 0 H GLN A 37 2.947 17.370 5.617 1.00 0.00 H new ATOM 0 HA GLN A 37 1.583 19.116 3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.062 17.716 1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.568 18.318 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.330 16.248 2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.800 15.736 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.450 13.801 2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.357 13.553 0.915 1.00 0.00 H new ATOM 516 N TRP A 38 -0.361 17.532 3.720 1.00 0.00 N ATOM 517 CA TRP A 38 -1.555 16.718 3.935 1.00 0.00 C ATOM 518 C TRP A 38 -1.575 15.535 2.977 1.00 0.00 C ATOM 519 O TRP A 38 -1.071 15.625 1.860 1.00 0.00 O ATOM 520 CB TRP A 38 -2.817 17.560 3.737 1.00 0.00 C ATOM 521 CG TRP A 38 -3.275 18.256 4.981 1.00 0.00 C ATOM 522 CD1 TRP A 38 -3.620 19.571 5.100 1.00 0.00 C ATOM 523 CD2 TRP A 38 -3.444 17.676 6.279 1.00 0.00 C ATOM 524 NE1 TRP A 38 -3.989 19.847 6.394 1.00 0.00 N ATOM 525 CE2 TRP A 38 -3.889 18.699 7.137 1.00 0.00 C ATOM 526 CE3 TRP A 38 -3.259 16.393 6.801 1.00 0.00 C ATOM 527 CZ2 TRP A 38 -4.155 18.477 8.486 1.00 0.00 C ATOM 528 CZ3 TRP A 38 -3.523 16.174 8.140 1.00 0.00 C ATOM 529 CH2 TRP A 38 -3.967 17.211 8.970 1.00 0.00 C ATOM 0 H TRP A 38 -0.521 18.376 3.171 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.532 16.345 4.959 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -2.629 18.304 2.963 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.619 16.917 3.374 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.605 20.290 4.294 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.288 20.757 6.745 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.916 15.587 6.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.497 19.276 9.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.384 15.186 8.553 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.165 17.008 10.012 1.00 0.00 H new ATOM 540 N CYS A 39 -2.157 14.425 3.416 1.00 0.00 N ATOM 541 CA CYS A 39 -2.230 13.232 2.583 1.00 0.00 C ATOM 542 C CYS A 39 -3.043 12.125 3.241 1.00 0.00 C ATOM 543 O CYS A 39 -3.103 12.021 4.466 1.00 0.00 O ATOM 544 CB CYS A 39 -0.831 12.696 2.305 1.00 0.00 C ATOM 545 SG CYS A 39 -0.838 11.009 1.623 1.00 0.00 S ATOM 0 H CYS A 39 -2.582 14.327 4.338 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.721 13.525 1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.325 13.362 1.606 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.254 12.706 3.230 1.00 0.00 H new ATOM 550 N GLY A 40 -3.606 11.258 2.407 1.00 0.00 N ATOM 551 CA GLY A 40 -4.339 10.117 2.905 1.00 0.00 C ATOM 552 C GLY A 40 -3.394 8.941 3.055 1.00 0.00 C ATOM 553 O GLY A 40 -2.635 8.638 2.135 1.00 0.00 O ATOM 0 H GLY A 40 -3.565 11.329 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.797 10.355 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.148 9.863 2.220 1.00 0.00 H new ATOM 557 N ILE A 41 -3.400 8.297 4.213 1.00 0.00 N ATOM 558 CA ILE A 41 -2.494 7.181 4.450 1.00 0.00 C ATOM 559 C ILE A 41 -2.899 5.950 3.651 1.00 0.00 C ATOM 560 O ILE A 41 -3.874 5.270 3.974 1.00 0.00 O ATOM 561 CB ILE A 41 -2.394 6.840 5.953 1.00 0.00 C ATOM 562 CG1 ILE A 41 -1.473 7.839 6.650 1.00 0.00 C ATOM 563 CG2 ILE A 41 -1.878 5.428 6.158 1.00 0.00 C ATOM 564 CD1 ILE A 41 -1.896 9.276 6.463 1.00 0.00 C ATOM 0 H ILE A 41 -4.014 8.524 4.995 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.508 7.496 4.108 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.392 6.903 6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.444 7.612 7.716 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.459 7.714 6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.817 5.214 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.558 4.720 5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.888 5.334 5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.198 9.931 6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.898 9.519 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.898 9.416 6.869 1.00 0.00 H new ATOM 576 N ASP A 42 -2.131 5.673 2.602 1.00 0.00 N ATOM 577 CA ASP A 42 -2.383 4.528 1.739 1.00 0.00 C ATOM 578 C ASP A 42 -1.149 3.637 1.675 1.00 0.00 C ATOM 579 O ASP A 42 -0.229 3.891 0.898 1.00 0.00 O ATOM 580 CB ASP A 42 -2.763 4.983 0.324 1.00 0.00 C ATOM 581 CG ASP A 42 -3.516 6.303 0.303 1.00 0.00 C ATOM 582 OD1 ASP A 42 -3.637 6.894 -0.787 1.00 0.00 O ATOM 583 OD2 ASP A 42 -3.993 6.739 1.370 1.00 0.00 O ATOM 0 H ASP A 42 -1.323 6.232 2.329 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.216 3.964 2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.858 5.079 -0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.377 4.214 -0.146 1.00 0.00 H new ATOM 588 N TYR A 43 -1.130 2.597 2.499 1.00 0.00 N ATOM 589 CA TYR A 43 0.002 1.675 2.537 1.00 0.00 C ATOM 590 C TYR A 43 0.269 1.064 1.161 1.00 0.00 C ATOM 591 O TYR A 43 1.360 0.558 0.901 1.00 0.00 O ATOM 592 CB TYR A 43 -0.240 0.564 3.563 1.00 0.00 C ATOM 593 CG TYR A 43 -0.601 1.063 4.948 1.00 0.00 C ATOM 594 CD1 TYR A 43 -0.269 2.350 5.362 1.00 0.00 C ATOM 595 CD2 TYR A 43 -1.273 0.241 5.845 1.00 0.00 C ATOM 596 CE1 TYR A 43 -0.597 2.799 6.628 1.00 0.00 C ATOM 597 CE2 TYR A 43 -1.605 0.684 7.111 1.00 0.00 C ATOM 598 CZ TYR A 43 -1.265 1.963 7.498 1.00 0.00 C ATOM 599 OH TYR A 43 -1.593 2.407 8.758 1.00 0.00 O ATOM 0 H TYR A 43 -1.883 2.370 3.149 1.00 0.00 H new ATOM 0 HA TYR A 43 0.881 2.247 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.041 -0.080 3.201 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.657 -0.051 3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.253 3.008 4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.540 -0.762 5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.331 3.800 6.934 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.128 0.032 7.794 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.061 1.696 9.244 1.00 0.00 H new ATOM 609 N SER A 44 -0.733 1.107 0.285 1.00 0.00 N ATOM 610 CA SER A 44 -0.599 0.550 -1.058 1.00 0.00 C ATOM 611 C SER A 44 -0.708 1.638 -2.124 1.00 0.00 C ATOM 612 O SER A 44 -1.468 1.502 -3.084 1.00 0.00 O ATOM 613 CB SER A 44 -1.666 -0.521 -1.296 1.00 0.00 C ATOM 614 OG SER A 44 -2.186 -1.007 -0.071 1.00 0.00 O ATOM 0 H SER A 44 -1.644 1.521 0.481 1.00 0.00 H new ATOM 0 HA SER A 44 0.390 0.097 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.474 -0.105 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.237 -1.346 -1.865 1.00 0.00 H new ATOM 0 HG SER A 44 -2.925 -0.434 0.221 1.00 0.00 H new ATOM 620 N TYR A 45 0.047 2.721 -1.955 1.00 0.00 N ATOM 621 CA TYR A 45 0.016 3.822 -2.913 1.00 0.00 C ATOM 622 C TYR A 45 1.016 3.603 -4.056 1.00 0.00 C ATOM 623 O TYR A 45 1.468 4.556 -4.685 1.00 0.00 O ATOM 624 CB TYR A 45 0.265 5.162 -2.196 1.00 0.00 C ATOM 625 CG TYR A 45 1.685 5.682 -2.290 1.00 0.00 C ATOM 626 CD1 TYR A 45 2.761 4.811 -2.246 1.00 0.00 C ATOM 627 CD2 TYR A 45 1.944 7.040 -2.427 1.00 0.00 C ATOM 628 CE1 TYR A 45 4.056 5.275 -2.334 1.00 0.00 C ATOM 629 CE2 TYR A 45 3.240 7.512 -2.514 1.00 0.00 C ATOM 630 CZ TYR A 45 4.292 6.625 -2.466 1.00 0.00 C ATOM 631 OH TYR A 45 5.584 7.090 -2.554 1.00 0.00 O ATOM 0 H TYR A 45 0.683 2.859 -1.170 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.977 3.854 -3.361 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.409 5.911 -2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.004 5.048 -1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.582 3.751 -2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.120 7.737 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.883 4.582 -2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.427 8.571 -2.619 1.00 0.00 H new ATOM 0 HH TYR A 45 5.575 8.066 -2.644 1.00 0.00 H new ATOM 743 N CYS A 54 4.493 -5.606 5.367 1.00 0.00 N ATOM 744 CA CYS A 54 3.485 -6.550 4.911 1.00 0.00 C ATOM 745 C CYS A 54 2.099 -6.072 5.323 1.00 0.00 C ATOM 746 O CYS A 54 1.962 -5.176 6.156 1.00 0.00 O ATOM 747 CB CYS A 54 3.786 -7.953 5.468 1.00 0.00 C ATOM 748 SG CYS A 54 2.344 -8.930 6.027 1.00 0.00 S ATOM 0 HA CYS A 54 3.510 -6.609 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.307 -8.522 4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.474 -7.848 6.307 1.00 0.00 H new ATOM 753 N THR A 55 1.080 -6.675 4.740 1.00 0.00 N ATOM 754 CA THR A 55 -0.289 -6.318 5.049 1.00 0.00 C ATOM 755 C THR A 55 -0.799 -7.170 6.203 1.00 0.00 C ATOM 756 O THR A 55 -0.466 -8.350 6.309 1.00 0.00 O ATOM 757 CB THR A 55 -1.167 -6.511 3.817 1.00 0.00 C ATOM 758 OG1 THR A 55 -0.849 -5.553 2.824 1.00 0.00 O ATOM 759 CG2 THR A 55 -2.650 -6.396 4.109 1.00 0.00 C ATOM 0 H THR A 55 1.177 -7.417 4.047 1.00 0.00 H new ATOM 0 HA THR A 55 -0.328 -5.270 5.345 1.00 0.00 H new ATOM 0 HB THR A 55 -0.962 -7.524 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.218 -5.943 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.215 -6.544 3.188 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.937 -7.155 4.837 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.866 -5.406 4.512 1.00 0.00 H new ATOM 767 N GLY A 56 -1.597 -6.569 7.067 1.00 0.00 N ATOM 768 CA GLY A 56 -2.124 -7.295 8.200 1.00 0.00 C ATOM 769 C GLY A 56 -1.354 -7.015 9.468 1.00 0.00 C ATOM 770 O GLY A 56 -1.596 -7.642 10.494 1.00 0.00 O ATOM 0 H GLY A 56 -1.889 -5.594 7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.170 -7.026 8.346 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.096 -8.364 7.989 1.00 0.00 H new ATOM 774 N ASN A 57 -0.433 -6.060 9.407 1.00 0.00 N ATOM 775 CA ASN A 57 0.354 -5.703 10.578 1.00 0.00 C ATOM 776 C ASN A 57 -0.450 -4.810 11.518 1.00 0.00 C ATOM 777 O ASN A 57 0.069 -4.341 12.533 1.00 0.00 O ATOM 778 CB ASN A 57 1.638 -4.983 10.165 1.00 0.00 C ATOM 779 CG ASN A 57 2.521 -5.822 9.262 1.00 0.00 C ATOM 780 OD1 ASN A 57 3.124 -5.311 8.318 1.00 0.00 O ATOM 781 ND2 ASN A 57 2.609 -7.115 9.549 1.00 0.00 N ATOM 0 H ASN A 57 -0.215 -5.524 8.567 1.00 0.00 H new ATOM 0 HA ASN A 57 0.613 -6.625 11.099 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.380 -4.056 9.653 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.198 -4.708 11.059 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.193 -7.726 8.978 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.092 -7.498 10.341 1.00 0.00 H new ATOM 788 N GLY A 58 -1.720 -4.583 11.187 1.00 0.00 N ATOM 789 CA GLY A 58 -2.559 -3.757 12.028 1.00 0.00 C ATOM 790 C GLY A 58 -3.034 -4.501 13.258 1.00 0.00 C ATOM 791 O GLY A 58 -3.174 -3.913 14.332 1.00 0.00 O ATOM 0 H GLY A 58 -2.177 -4.956 10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.005 -2.869 12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.421 -3.414 11.456 1.00 0.00 H new ATOM 795 N SER A 59 -3.282 -5.799 13.105 1.00 0.00 N ATOM 796 CA SER A 59 -3.743 -6.619 14.220 1.00 0.00 C ATOM 797 C SER A 59 -3.512 -8.109 13.966 1.00 0.00 C ATOM 798 O SER A 59 -3.109 -8.845 14.867 1.00 0.00 O ATOM 799 CB SER A 59 -5.227 -6.362 14.485 1.00 0.00 C ATOM 800 OG SER A 59 -5.438 -5.051 14.981 1.00 0.00 O ATOM 0 H SER A 59 -3.172 -6.303 12.225 1.00 0.00 H new ATOM 0 HA SER A 59 -3.160 -6.336 15.097 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.793 -6.501 13.564 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.603 -7.091 15.203 1.00 0.00 H new ATOM 0 HG SER A 59 -4.573 -4.614 15.128 1.00 0.00 H new ATOM 806 N TYR A 60 -3.786 -8.549 12.741 1.00 0.00 N ATOM 807 CA TYR A 60 -3.624 -9.960 12.378 1.00 0.00 C ATOM 808 C TYR A 60 -2.196 -10.255 11.915 1.00 0.00 C ATOM 809 O TYR A 60 -1.338 -9.375 11.926 1.00 0.00 O ATOM 810 CB TYR A 60 -4.623 -10.362 11.278 1.00 0.00 C ATOM 811 CG TYR A 60 -5.602 -9.279 10.879 1.00 0.00 C ATOM 812 CD1 TYR A 60 -5.597 -8.761 9.593 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.529 -8.781 11.785 1.00 0.00 C ATOM 814 CE1 TYR A 60 -6.489 -7.776 9.215 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.425 -7.794 11.417 1.00 0.00 C ATOM 816 CZ TYR A 60 -7.400 -7.296 10.131 1.00 0.00 C ATOM 817 OH TYR A 60 -8.291 -6.314 9.760 1.00 0.00 O ATOM 0 H TYR A 60 -4.120 -7.954 11.983 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.826 -10.551 13.272 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.064 -10.669 10.394 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.185 -11.232 11.618 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.883 -9.134 8.874 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.551 -9.170 12.792 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.472 -7.385 8.208 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.140 -7.415 12.132 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.865 -6.088 10.522 1.00 0.00 H new ATOM 827 N PRO A 61 -1.917 -11.508 11.507 1.00 0.00 N ATOM 828 CA PRO A 61 -0.595 -11.917 11.043 1.00 0.00 C ATOM 829 C PRO A 61 -0.439 -11.755 9.533 1.00 0.00 C ATOM 830 O PRO A 61 -1.389 -11.401 8.837 1.00 0.00 O ATOM 831 CB PRO A 61 -0.574 -13.393 11.419 1.00 0.00 C ATOM 832 CG PRO A 61 -1.982 -13.842 11.209 1.00 0.00 C ATOM 833 CD PRO A 61 -2.864 -12.642 11.474 1.00 0.00 C ATOM 0 HA PRO A 61 0.210 -11.323 11.476 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.121 -13.954 10.794 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.260 -13.537 12.453 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.124 -14.210 10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.231 -14.662 11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.612 -12.515 10.692 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.402 -12.741 12.417 1.00 0.00 H new ATOM 841 N CYS A 62 0.760 -12.033 9.030 1.00 0.00 N ATOM 842 CA CYS A 62 1.026 -11.933 7.599 1.00 0.00 C ATOM 843 C CYS A 62 0.591 -13.215 6.895 1.00 0.00 C ATOM 844 O CYS A 62 0.296 -14.218 7.543 1.00 0.00 O ATOM 845 CB CYS A 62 2.512 -11.672 7.341 1.00 0.00 C ATOM 846 SG CYS A 62 3.035 -9.951 7.643 1.00 0.00 S ATOM 0 H CYS A 62 1.560 -12.328 9.590 1.00 0.00 H new ATOM 0 HA CYS A 62 0.454 -11.095 7.201 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.101 -12.335 7.975 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.741 -11.933 6.308 1.00 0.00 H new ATOM 851 N CYS A 63 0.547 -13.176 5.568 1.00 0.00 N ATOM 852 CA CYS A 63 0.139 -14.339 4.786 1.00 0.00 C ATOM 853 C CYS A 63 1.345 -14.995 4.126 1.00 0.00 C ATOM 854 O CYS A 63 1.515 -16.213 4.187 1.00 0.00 O ATOM 855 CB CYS A 63 -0.894 -13.929 3.734 1.00 0.00 C ATOM 856 SG CYS A 63 -2.450 -14.882 3.789 1.00 0.00 S ATOM 0 H CYS A 63 0.788 -12.355 5.012 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.316 -15.067 5.458 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.126 -12.872 3.863 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.450 -14.039 2.745 1.00 0.00 H new ATOM 861 N ASN A 64 2.176 -14.175 3.494 1.00 0.00 N ATOM 862 CA ASN A 64 3.381 -14.650 2.816 1.00 0.00 C ATOM 863 C ASN A 64 3.039 -15.241 1.459 1.00 0.00 C ATOM 864 O ASN A 64 3.854 -15.929 0.845 1.00 0.00 O ATOM 865 CB ASN A 64 4.122 -15.690 3.666 1.00 0.00 C ATOM 866 CG ASN A 64 4.186 -15.307 5.131 1.00 0.00 C ATOM 867 OD1 ASN A 64 5.027 -14.506 5.541 1.00 0.00 O ATOM 868 ND2 ASN A 64 3.295 -15.881 5.931 1.00 0.00 N ATOM 0 H ASN A 64 2.037 -13.166 3.436 1.00 0.00 H new ATOM 0 HA ASN A 64 4.036 -13.791 2.672 1.00 0.00 H new ATOM 0 HB2 ASN A 64 3.625 -16.655 3.568 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.135 -15.813 3.282 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.290 -15.664 6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.616 -16.539 5.549 1.00 0.00 H new ATOM 875 N THR A 65 1.828 -14.966 0.993 1.00 0.00 N ATOM 876 CA THR A 65 1.380 -15.467 -0.289 1.00 0.00 C ATOM 877 C THR A 65 1.079 -14.312 -1.233 1.00 0.00 C ATOM 878 O THR A 65 0.523 -13.294 -0.822 1.00 0.00 O ATOM 879 CB THR A 65 0.136 -16.336 -0.103 1.00 0.00 C ATOM 880 OG1 THR A 65 -0.188 -17.017 -1.302 1.00 0.00 O ATOM 881 CG2 THR A 65 -1.085 -15.551 0.329 1.00 0.00 C ATOM 0 H THR A 65 1.141 -14.397 1.488 1.00 0.00 H new ATOM 0 HA THR A 65 2.173 -16.073 -0.726 1.00 0.00 H new ATOM 0 HB THR A 65 0.393 -17.039 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.986 -17.568 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.932 -16.228 0.442 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.883 -15.059 1.281 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.320 -14.800 -0.425 1.00 0.00 H new ATOM 889 N CYS A 66 1.440 -14.472 -2.499 1.00 0.00 N ATOM 890 CA CYS A 66 1.193 -13.434 -3.487 1.00 0.00 C ATOM 891 C CYS A 66 -0.119 -13.690 -4.211 1.00 0.00 C ATOM 892 O CYS A 66 -0.253 -13.426 -5.406 1.00 0.00 O ATOM 893 CB CYS A 66 2.349 -13.349 -4.482 1.00 0.00 C ATOM 894 SG CYS A 66 3.994 -13.469 -3.709 1.00 0.00 S ATOM 0 H CYS A 66 1.902 -15.305 -2.863 1.00 0.00 H new ATOM 0 HA CYS A 66 1.119 -12.478 -2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.244 -14.148 -5.216 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.281 -12.406 -5.025 1.00 0.00 H new ATOM 0 HG CYS A 66 4.911 -13.390 -4.627 1.00 0.00 H new ATOM 899 N GLN A 67 -1.089 -14.193 -3.460 1.00 0.00 N ATOM 900 CA GLN A 67 -2.409 -14.480 -3.988 1.00 0.00 C ATOM 901 C GLN A 67 -3.443 -13.768 -3.124 1.00 0.00 C ATOM 902 O GLN A 67 -3.908 -14.302 -2.121 1.00 0.00 O ATOM 903 CB GLN A 67 -2.642 -16.002 -4.016 1.00 0.00 C ATOM 904 CG GLN A 67 -4.084 -16.442 -3.786 1.00 0.00 C ATOM 905 CD GLN A 67 -4.276 -17.135 -2.447 1.00 0.00 C ATOM 906 OE1 GLN A 67 -3.566 -16.667 -1.424 1.00 0.00 O flip ATOM 907 NE2 GLN A 67 -5.056 -18.080 -2.334 1.00 0.00 N flip ATOM 0 H GLN A 67 -0.980 -14.412 -2.470 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.499 -14.117 -5.012 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.311 -16.386 -4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.012 -16.464 -3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.738 -15.572 -3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.387 -17.117 -4.587 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.581 -18.407 -3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.177 -18.536 -1.430 1.00 0.00 H new ATOM 916 N ALA A 68 -3.779 -12.549 -3.516 1.00 0.00 N ATOM 917 CA ALA A 68 -4.735 -11.753 -2.773 1.00 0.00 C ATOM 918 C ALA A 68 -6.158 -12.064 -3.200 1.00 0.00 C ATOM 919 O ALA A 68 -6.546 -11.834 -4.344 1.00 0.00 O ATOM 920 CB ALA A 68 -4.434 -10.278 -2.943 1.00 0.00 C ATOM 0 H ALA A 68 -3.402 -12.092 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.643 -12.009 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.160 -9.691 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.431 -10.066 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.495 -10.014 -3.999 1.00 0.00 H new ATOM 926 N THR A 69 -6.925 -12.592 -2.263 1.00 0.00 N ATOM 927 CA THR A 69 -8.314 -12.948 -2.520 1.00 0.00 C ATOM 928 C THR A 69 -9.245 -11.784 -2.192 1.00 0.00 C ATOM 929 O THR A 69 -10.381 -11.739 -2.664 1.00 0.00 O ATOM 930 CB THR A 69 -8.711 -14.194 -1.712 1.00 0.00 C ATOM 931 OG1 THR A 69 -10.045 -14.096 -1.244 1.00 0.00 O ATOM 932 CG2 THR A 69 -7.823 -14.442 -0.511 1.00 0.00 C ATOM 0 H THR A 69 -6.610 -12.785 -1.312 1.00 0.00 H new ATOM 0 HA THR A 69 -8.413 -13.175 -3.581 1.00 0.00 H new ATOM 0 HB THR A 69 -8.599 -15.026 -2.407 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.273 -14.902 -0.735 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.161 -15.336 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.794 -14.582 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.874 -13.586 0.162 1.00 0.00 H new ATOM 940 N TYR A 70 -8.767 -10.843 -1.379 1.00 0.00 N ATOM 941 CA TYR A 70 -9.581 -9.695 -1.003 1.00 0.00 C ATOM 942 C TYR A 70 -8.713 -8.488 -0.646 1.00 0.00 C ATOM 943 O TYR A 70 -7.781 -8.594 0.147 1.00 0.00 O ATOM 944 CB TYR A 70 -10.510 -10.081 0.162 1.00 0.00 C ATOM 945 CG TYR A 70 -10.114 -9.526 1.519 1.00 0.00 C ATOM 946 CD1 TYR A 70 -9.686 -10.373 2.534 1.00 0.00 C ATOM 947 CD2 TYR A 70 -10.178 -8.163 1.786 1.00 0.00 C ATOM 948 CE1 TYR A 70 -9.332 -9.878 3.774 1.00 0.00 C ATOM 949 CE2 TYR A 70 -9.823 -7.661 3.023 1.00 0.00 C ATOM 950 CZ TYR A 70 -9.402 -8.522 4.013 1.00 0.00 C ATOM 951 OH TYR A 70 -9.049 -8.026 5.248 1.00 0.00 O ATOM 0 H TYR A 70 -7.831 -10.854 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.191 -9.404 -1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.519 -9.740 -0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -10.548 -11.168 0.230 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.629 -11.436 2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.511 -7.486 1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.002 -10.550 4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.875 -6.599 3.213 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.097 -7.794 5.247 1.00 0.00 H new ATOM 961 N THR A 71 -9.039 -7.335 -1.227 1.00 0.00 N ATOM 962 CA THR A 71 -8.301 -6.103 -0.959 1.00 0.00 C ATOM 963 C THR A 71 -9.223 -5.056 -0.350 1.00 0.00 C ATOM 964 O THR A 71 -10.120 -4.543 -1.018 1.00 0.00 O ATOM 965 CB THR A 71 -7.669 -5.558 -2.239 1.00 0.00 C ATOM 966 OG1 THR A 71 -6.770 -6.499 -2.798 1.00 0.00 O ATOM 967 CG2 THR A 71 -6.908 -4.263 -2.026 1.00 0.00 C ATOM 0 H THR A 71 -9.810 -7.229 -1.887 1.00 0.00 H new ATOM 0 HA THR A 71 -7.505 -6.333 -0.250 1.00 0.00 H new ATOM 0 HB THR A 71 -8.504 -5.365 -2.913 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.946 -6.043 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.484 -3.930 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.587 -3.501 -1.644 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.105 -4.427 -1.307 1.00 0.00 H new ATOM 975 N ASP A 72 -9.002 -4.745 0.921 1.00 0.00 N ATOM 976 CA ASP A 72 -9.825 -3.758 1.608 1.00 0.00 C ATOM 977 C ASP A 72 -9.140 -3.228 2.864 1.00 0.00 C ATOM 978 O ASP A 72 -8.304 -3.904 3.460 1.00 0.00 O ATOM 979 CB ASP A 72 -11.180 -4.364 1.976 1.00 0.00 C ATOM 980 CG ASP A 72 -12.227 -3.307 2.266 1.00 0.00 C ATOM 981 OD1 ASP A 72 -12.058 -2.557 3.250 1.00 0.00 O ATOM 982 OD2 ASP A 72 -13.217 -3.229 1.509 1.00 0.00 O ATOM 0 H ASP A 72 -8.266 -5.158 1.493 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.972 -2.921 0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.525 -4.998 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.063 -5.005 2.850 1.00 0.00 H new ATOM 987 N GLY A 73 -9.519 -2.023 3.267 1.00 0.00 N ATOM 988 CA GLY A 73 -8.953 -1.426 4.462 1.00 0.00 C ATOM 989 C GLY A 73 -7.647 -0.703 4.207 1.00 0.00 C ATOM 990 O GLY A 73 -7.610 0.527 4.167 1.00 0.00 O ATOM 0 H GLY A 73 -10.210 -1.446 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.672 -0.725 4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.790 -2.205 5.207 1.00 0.00 H new ATOM 994 N ASP A 74 -6.570 -1.464 4.040 1.00 0.00 N ATOM 995 CA ASP A 74 -5.257 -0.877 3.797 1.00 0.00 C ATOM 996 C ASP A 74 -4.670 -1.362 2.478 1.00 0.00 C ATOM 997 O ASP A 74 -3.810 -0.703 1.893 1.00 0.00 O ATOM 998 CB ASP A 74 -4.302 -1.205 4.947 1.00 0.00 C ATOM 999 CG ASP A 74 -4.185 -2.695 5.203 1.00 0.00 C ATOM 1000 OD1 ASP A 74 -4.452 -3.481 4.271 1.00 0.00 O ATOM 1001 OD2 ASP A 74 -3.826 -3.075 6.336 1.00 0.00 O ATOM 0 H ASP A 74 -6.580 -2.484 4.068 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.383 0.204 3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.315 -0.801 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.649 -0.711 5.854 1.00 0.00 H new ATOM 1006 N GLY A 75 -5.135 -2.514 2.010 1.00 0.00 N ATOM 1007 CA GLY A 75 -4.637 -3.055 0.765 1.00 0.00 C ATOM 1008 C GLY A 75 -5.212 -4.420 0.447 1.00 0.00 C ATOM 1009 O GLY A 75 -6.399 -4.668 0.655 1.00 0.00 O ATOM 0 H GLY A 75 -5.847 -3.081 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.876 -2.367 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.550 -3.126 0.814 1.00 0.00 H new ATOM 1013 N ASP A 76 -4.362 -5.299 -0.064 1.00 0.00 N ATOM 1014 CA ASP A 76 -4.770 -6.648 -0.430 1.00 0.00 C ATOM 1015 C ASP A 76 -4.759 -7.573 0.779 1.00 0.00 C ATOM 1016 O ASP A 76 -4.267 -7.210 1.848 1.00 0.00 O ATOM 1017 CB ASP A 76 -3.849 -7.203 -1.519 1.00 0.00 C ATOM 1018 CG ASP A 76 -3.536 -6.179 -2.593 1.00 0.00 C ATOM 1019 OD1 ASP A 76 -2.615 -5.361 -2.384 1.00 0.00 O ATOM 1020 OD2 ASP A 76 -4.211 -6.195 -3.644 1.00 0.00 O ATOM 0 H ASP A 76 -3.377 -5.099 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.789 -6.598 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.919 -7.544 -1.064 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.318 -8.074 -1.977 1.00 0.00 H new ATOM 1025 N TRP A 77 -5.307 -8.769 0.599 1.00 0.00 N ATOM 1026 CA TRP A 77 -5.368 -9.752 1.673 1.00 0.00 C ATOM 1027 C TRP A 77 -5.544 -11.157 1.117 1.00 0.00 C ATOM 1028 O TRP A 77 -6.102 -11.348 0.036 1.00 0.00 O ATOM 1029 CB TRP A 77 -6.517 -9.430 2.629 1.00 0.00 C ATOM 1030 CG TRP A 77 -6.438 -8.058 3.222 1.00 0.00 C ATOM 1031 CD1 TRP A 77 -6.929 -6.901 2.689 1.00 0.00 C ATOM 1032 CD2 TRP A 77 -5.828 -7.698 4.464 1.00 0.00 C ATOM 1033 NE1 TRP A 77 -6.661 -5.846 3.523 1.00 0.00 N ATOM 1034 CE2 TRP A 77 -5.987 -6.309 4.619 1.00 0.00 C ATOM 1035 CE3 TRP A 77 -5.162 -8.415 5.460 1.00 0.00 C ATOM 1036 CZ2 TRP A 77 -5.507 -5.624 5.728 1.00 0.00 C ATOM 1037 CZ3 TRP A 77 -4.686 -7.734 6.561 1.00 0.00 C ATOM 1038 CH2 TRP A 77 -4.862 -6.350 6.688 1.00 0.00 C ATOM 0 H TRP A 77 -5.716 -9.081 -0.282 1.00 0.00 H new ATOM 0 HA TRP A 77 -4.425 -9.708 2.218 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.462 -9.532 2.095 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.525 -10.165 3.434 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -7.452 -6.827 1.747 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.922 -4.875 3.354 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.022 -9.482 5.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -5.639 -4.557 5.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.169 -8.277 7.338 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -4.479 -5.847 7.564 1.00 0.00 H new ATOM 1049 N ALA A 78 -5.064 -12.137 1.870 1.00 0.00 N ATOM 1050 CA ALA A 78 -5.164 -13.529 1.468 1.00 0.00 C ATOM 1051 C ALA A 78 -5.482 -14.421 2.662 1.00 0.00 C ATOM 1052 O ALA A 78 -5.249 -14.043 3.811 1.00 0.00 O ATOM 1053 CB ALA A 78 -3.875 -13.973 0.796 1.00 0.00 C ATOM 0 H ALA A 78 -4.600 -11.990 2.766 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.982 -13.623 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.961 -15.018 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.694 -13.359 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.044 -13.861 1.493 1.00 0.00 H new ATOM 1059 N PHE A 79 -6.020 -15.603 2.387 1.00 0.00 N ATOM 1060 CA PHE A 79 -6.375 -16.546 3.442 1.00 0.00 C ATOM 1061 C PHE A 79 -5.491 -17.787 3.388 1.00 0.00 C ATOM 1062 O PHE A 79 -5.643 -18.632 2.505 1.00 0.00 O ATOM 1063 CB PHE A 79 -7.845 -16.947 3.321 1.00 0.00 C ATOM 1064 CG PHE A 79 -8.387 -17.622 4.548 1.00 0.00 C ATOM 1065 CD1 PHE A 79 -8.975 -18.874 4.464 1.00 0.00 C ATOM 1066 CD2 PHE A 79 -8.309 -17.005 5.786 1.00 0.00 C ATOM 1067 CE1 PHE A 79 -9.474 -19.498 5.592 1.00 0.00 C ATOM 1068 CE2 PHE A 79 -8.806 -17.624 6.918 1.00 0.00 C ATOM 1069 CZ PHE A 79 -9.390 -18.872 6.819 1.00 0.00 C ATOM 0 H PHE A 79 -6.220 -15.932 1.443 1.00 0.00 H new ATOM 0 HA PHE A 79 -6.216 -16.054 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -8.440 -16.057 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.962 -17.615 2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.044 -19.368 3.506 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.854 -16.029 5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -9.929 -20.474 5.513 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.738 -17.133 7.877 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.781 -19.357 7.701 1.00 0.00 H new ATOM 1079 N GLU A 80 -4.571 -17.895 4.341 1.00 0.00 N ATOM 1080 CA GLU A 80 -3.667 -19.036 4.405 1.00 0.00 C ATOM 1081 C GLU A 80 -3.669 -19.647 5.803 1.00 0.00 C ATOM 1082 O GLU A 80 -3.908 -18.955 6.792 1.00 0.00 O ATOM 1083 CB GLU A 80 -2.246 -18.618 4.009 1.00 0.00 C ATOM 1084 CG GLU A 80 -1.475 -17.911 5.116 1.00 0.00 C ATOM 1085 CD GLU A 80 -0.307 -18.731 5.629 1.00 0.00 C ATOM 1086 OE1 GLU A 80 0.616 -18.139 6.227 1.00 0.00 O ATOM 1087 OE2 GLU A 80 -0.316 -19.965 5.434 1.00 0.00 O ATOM 0 H GLU A 80 -4.432 -17.205 5.080 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.018 -19.789 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.690 -19.504 3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.301 -17.960 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.107 -16.955 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.151 -17.692 5.942 1.00 0.00 H new ATOM 1094 N ASN A 81 -3.402 -20.946 5.879 1.00 0.00 N ATOM 1095 CA ASN A 81 -3.375 -21.646 7.159 1.00 0.00 C ATOM 1096 C ASN A 81 -4.666 -21.412 7.940 1.00 0.00 C ATOM 1097 O ASN A 81 -4.686 -21.508 9.168 1.00 0.00 O ATOM 1098 CB ASN A 81 -2.174 -21.189 7.988 1.00 0.00 C ATOM 1099 CG ASN A 81 -0.911 -21.957 7.649 1.00 0.00 C ATOM 1100 OD1 ASN A 81 -0.950 -23.162 7.402 1.00 0.00 O ATOM 1101 ND2 ASN A 81 0.219 -21.259 7.635 1.00 0.00 N ATOM 0 H ASN A 81 -3.201 -21.535 5.071 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.285 -22.713 6.957 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.005 -20.125 7.821 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.399 -21.314 9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.101 -21.721 7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 81 0.205 -20.261 7.846 1.00 0.00 H new ATOM 1108 N GLY A 82 -5.741 -21.103 7.222 1.00 0.00 N ATOM 1109 CA GLY A 82 -7.019 -20.858 7.864 1.00 0.00 C ATOM 1110 C GLY A 82 -7.017 -19.600 8.709 1.00 0.00 C ATOM 1111 O GLY A 82 -7.554 -19.589 9.817 1.00 0.00 O ATOM 0 H GLY A 82 -5.750 -21.018 6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.794 -20.778 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.276 -21.712 8.491 1.00 0.00 H new ATOM 1115 N ASN A 83 -6.413 -18.535 8.188 1.00 0.00 N ATOM 1116 CA ASN A 83 -6.350 -17.267 8.909 1.00 0.00 C ATOM 1117 C ASN A 83 -6.312 -16.089 7.941 1.00 0.00 C ATOM 1118 O ASN A 83 -5.646 -16.143 6.907 1.00 0.00 O ATOM 1119 CB ASN A 83 -5.124 -17.235 9.824 1.00 0.00 C ATOM 1120 CG ASN A 83 -3.828 -17.442 9.064 1.00 0.00 C ATOM 1121 OD1 ASN A 83 -3.542 -16.736 8.098 1.00 0.00 O ATOM 1122 ND2 ASN A 83 -3.037 -18.416 9.498 1.00 0.00 N ATOM 0 H ASN A 83 -5.962 -18.525 7.273 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.250 -17.181 9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.088 -16.278 10.344 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.223 -18.008 10.586 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.152 -18.603 9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.314 -18.977 10.303 1.00 0.00 H new ATOM 1129 N TRP A 84 -7.030 -15.025 8.285 1.00 0.00 N ATOM 1130 CA TRP A 84 -7.081 -13.831 7.448 1.00 0.00 C ATOM 1131 C TRP A 84 -5.795 -13.022 7.576 1.00 0.00 C ATOM 1132 O TRP A 84 -5.636 -12.227 8.503 1.00 0.00 O ATOM 1133 CB TRP A 84 -8.283 -12.965 7.828 1.00 0.00 C ATOM 1134 CG TRP A 84 -9.532 -13.327 7.086 1.00 0.00 C ATOM 1135 CD1 TRP A 84 -10.772 -13.538 7.619 1.00 0.00 C ATOM 1136 CD2 TRP A 84 -9.665 -13.521 5.673 1.00 0.00 C ATOM 1137 NE1 TRP A 84 -11.665 -13.851 6.624 1.00 0.00 N ATOM 1138 CE2 TRP A 84 -11.010 -13.848 5.420 1.00 0.00 C ATOM 1139 CE3 TRP A 84 -8.775 -13.449 4.597 1.00 0.00 C ATOM 1140 CZ2 TRP A 84 -11.487 -14.101 4.137 1.00 0.00 C ATOM 1141 CZ3 TRP A 84 -9.250 -13.702 3.323 1.00 0.00 C ATOM 1142 CH2 TRP A 84 -10.595 -14.024 3.102 1.00 0.00 C ATOM 0 H TRP A 84 -7.585 -14.965 9.138 1.00 0.00 H new ATOM 0 HA TRP A 84 -7.187 -14.150 6.411 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -8.465 -13.058 8.899 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -8.044 -11.919 7.635 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -11.014 -13.469 8.669 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -12.656 -14.053 6.759 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -7.736 -13.201 4.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -12.524 -14.349 3.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.572 -13.650 2.484 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -10.935 -14.215 2.095 1.00 0.00 H new ATOM 1153 N CYS A 85 -4.882 -13.230 6.635 1.00 0.00 N ATOM 1154 CA CYS A 85 -3.606 -12.523 6.631 1.00 0.00 C ATOM 1155 C CYS A 85 -3.545 -11.517 5.488 1.00 0.00 C ATOM 1156 O CYS A 85 -4.418 -11.495 4.620 1.00 0.00 O ATOM 1157 CB CYS A 85 -2.431 -13.504 6.516 1.00 0.00 C ATOM 1158 SG CYS A 85 -2.841 -15.119 5.771 1.00 0.00 S ATOM 0 H CYS A 85 -5.002 -13.885 5.862 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.526 -11.989 7.578 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.645 -13.037 5.923 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.021 -13.674 7.512 1.00 0.00 H new ATOM 1163 N GLY A 86 -2.504 -10.688 5.490 1.00 0.00 N ATOM 1164 CA GLY A 86 -2.346 -9.697 4.444 1.00 0.00 C ATOM 1165 C GLY A 86 -1.228 -10.055 3.482 1.00 0.00 C ATOM 1166 O GLY A 86 -0.325 -10.816 3.829 1.00 0.00 O ATOM 0 H GLY A 86 -1.769 -10.686 6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.281 -9.601 3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.140 -8.726 4.894 1.00 0.00 H new ATOM 1170 N ILE A 87 -1.292 -9.515 2.270 1.00 0.00 N ATOM 1171 CA ILE A 87 -0.281 -9.792 1.255 1.00 0.00 C ATOM 1172 C ILE A 87 0.986 -8.967 1.493 1.00 0.00 C ATOM 1173 O ILE A 87 0.923 -7.767 1.762 1.00 0.00 O ATOM 1174 CB ILE A 87 -0.848 -9.541 -0.170 1.00 0.00 C ATOM 1175 CG1 ILE A 87 -1.116 -10.864 -0.898 1.00 0.00 C ATOM 1176 CG2 ILE A 87 0.087 -8.680 -1.008 1.00 0.00 C ATOM 1177 CD1 ILE A 87 -1.735 -11.942 -0.036 1.00 0.00 C ATOM 0 H ILE A 87 -2.033 -8.883 1.966 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.009 -10.845 1.333 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.788 -9.005 -0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.775 -10.671 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.176 -11.237 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.346 -8.528 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.227 -7.715 -0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.051 -9.180 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.889 -12.841 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.069 -12.169 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.693 -11.594 0.350 1.00 0.00 H new ATOM 1189 N LYS A 88 2.134 -9.633 1.390 1.00 0.00 N ATOM 1190 CA LYS A 88 3.432 -8.990 1.589 1.00 0.00 C ATOM 1191 C LYS A 88 3.719 -7.980 0.487 1.00 0.00 C ATOM 1192 O LYS A 88 3.227 -8.111 -0.633 1.00 0.00 O ATOM 1193 CB LYS A 88 4.545 -10.043 1.613 1.00 0.00 C ATOM 1194 CG LYS A 88 4.182 -11.308 2.371 1.00 0.00 C ATOM 1195 CD LYS A 88 3.816 -11.005 3.812 1.00 0.00 C ATOM 1196 CE LYS A 88 4.973 -11.294 4.754 1.00 0.00 C ATOM 1197 NZ LYS A 88 5.928 -10.154 4.836 1.00 0.00 N ATOM 0 H LYS A 88 2.192 -10.627 1.168 1.00 0.00 H new ATOM 0 HA LYS A 88 3.401 -8.466 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.803 -10.308 0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.436 -9.605 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.345 -11.802 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.022 -12.003 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.525 -9.958 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.952 -11.602 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.584 -11.513 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.501 -12.185 4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.900 -10.507 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.719 -9.471 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.833 -9.687 5.760 1.00 0.00 H new ATOM 1211 N ASN A 89 4.536 -6.983 0.808 1.00 0.00 N ATOM 1212 CA ASN A 89 4.905 -5.963 -0.163 1.00 0.00 C ATOM 1213 C ASN A 89 5.647 -6.599 -1.336 1.00 0.00 C ATOM 1214 O ASN A 89 5.587 -6.112 -2.465 1.00 0.00 O ATOM 1215 CB ASN A 89 5.776 -4.891 0.496 1.00 0.00 C ATOM 1216 CG ASN A 89 4.991 -3.642 0.844 1.00 0.00 C ATOM 1217 OD1 ASN A 89 3.809 -3.529 0.520 1.00 0.00 O ATOM 1218 ND2 ASN A 89 5.646 -2.696 1.506 1.00 0.00 N ATOM 0 H ASN A 89 4.954 -6.861 1.730 1.00 0.00 H new ATOM 0 HA ASN A 89 3.996 -5.491 -0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.226 -5.298 1.402 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.593 -4.628 -0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.169 -1.833 1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.626 -2.832 1.754 1.00 0.00 H new