USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=24 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 -141:sc= 0.153 USER MOD Set 1.2: A 67 GLN :FLIP amide:sc= -1.21 F(o=-2.1!,f=-1.1) USER MOD Set 2.1: A 60 TYR OH : rot 73:sc= 0.0279 USER MOD Set 2.2: A 70 TYR OH : rot 100:sc= 0.469 USER MOD Set 3.1: A 15 ASN : amide:sc= -0.0596 K(o=-9.4,f=-10) USER MOD Set 3.2: A 16 ASN :FLIP amide:sc= -5.92! F(o=-11,f=-9.4!) USER MOD Set 3.3: A 20 THR OG1 : rot -5:sc= 0.815 USER MOD Set 3.4: A 34 GLN :FLIP amide:sc= -4.25! C(o=-16!,f=-9.4!) USER MOD Set 4.1: A 7 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Set 4.2: A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.3) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 19 SER OG : rot -46:sc= 0.269 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 -38:sc= 0.0502 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.06! C(o=-1.1!,f=-1.4!) USER MOD Single : A 37 GLN : amide:sc= -1.45 K(o=-1.5,f=-2.6!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 150:sc= 0.0318 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 88:sc= 0.413 USER MOD Single : A 57 ASN : amide:sc= -0.0695 K(o=-0.069,f=-1.5!) USER MOD Single : A 59 SER OG : rot -15:sc= 0.6 USER MOD Single : A 64 ASN : amide:sc= -5.64! C(o=-5.6!,f=-9.7!) 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 71 THR OG1 : rot -122:sc= 0.0982 USER MOD Single : A 81 ASN : amide:sc= -0.0275 X(o=-0.027,f=0.29) USER MOD Single : A 83 ASN :FLIP amide:sc= -2.37 F(o=-2.9,f=-2.4) USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= -4.62 (180deg=-5.08!) USER MOD Single : A 89 ASN : amide:sc= -0.905 K(o=-0.9,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 13 N MET A 2 3.939 6.226 -5.810 1.00 0.00 N ATOM 14 CA MET A 2 2.938 7.264 -6.038 1.00 0.00 C ATOM 15 C MET A 2 1.647 6.687 -6.614 1.00 0.00 C ATOM 16 O MET A 2 1.485 6.592 -7.831 1.00 0.00 O ATOM 17 CB MET A 2 3.490 8.337 -6.976 1.00 0.00 C ATOM 18 CG MET A 2 3.058 9.745 -6.601 1.00 0.00 C ATOM 19 SD MET A 2 2.533 10.718 -8.026 1.00 0.00 S ATOM 20 CE MET A 2 1.323 11.797 -7.266 1.00 0.00 C ATOM 0 HA MET A 2 2.705 7.712 -5.072 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.579 8.286 -6.974 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.163 8.123 -7.994 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.240 9.690 -5.883 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.884 10.253 -6.104 1.00 0.00 H new ATOM 0 HE1 MET A 2 0.904 12.463 -8.021 1.00 0.00 H new ATOM 0 HE2 MET A 2 0.525 11.197 -6.828 1.00 0.00 H new ATOM 0 HE3 MET A 2 1.802 12.388 -6.486 1.00 0.00 H new ATOM 30 N ALA A 3 0.726 6.314 -5.731 1.00 0.00 N ATOM 31 CA ALA A 3 -0.558 5.759 -6.144 1.00 0.00 C ATOM 32 C ALA A 3 -1.597 5.936 -5.045 1.00 0.00 C ATOM 33 O ALA A 3 -2.496 5.110 -4.883 1.00 0.00 O ATOM 34 CB ALA A 3 -0.414 4.290 -6.501 1.00 0.00 C ATOM 0 H ALA A 3 0.846 6.387 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.894 6.300 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.382 3.893 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.297 4.183 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.054 3.738 -5.633 1.00 0.00 H new ATOM 40 N CYS A 4 -1.460 7.016 -4.288 1.00 0.00 N ATOM 41 CA CYS A 4 -2.375 7.309 -3.194 1.00 0.00 C ATOM 42 C CYS A 4 -3.794 7.518 -3.707 1.00 0.00 C ATOM 43 O CYS A 4 -4.000 7.925 -4.849 1.00 0.00 O ATOM 44 CB CYS A 4 -1.906 8.550 -2.432 1.00 0.00 C ATOM 45 SG CYS A 4 -1.567 9.992 -3.494 1.00 0.00 S ATOM 0 H CYS A 4 -0.720 7.707 -4.413 1.00 0.00 H new ATOM 0 HA CYS A 4 -2.379 6.454 -2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.666 8.822 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.002 8.302 -1.876 1.00 0.00 H new ATOM 50 N TRP A 5 -4.768 7.242 -2.850 1.00 0.00 N ATOM 51 CA TRP A 5 -6.171 7.407 -3.208 1.00 0.00 C ATOM 52 C TRP A 5 -6.629 8.838 -2.935 1.00 0.00 C ATOM 53 O TRP A 5 -7.600 9.312 -3.524 1.00 0.00 O ATOM 54 CB TRP A 5 -7.039 6.419 -2.427 1.00 0.00 C ATOM 55 CG TRP A 5 -6.730 6.390 -0.962 1.00 0.00 C ATOM 56 CD1 TRP A 5 -5.937 5.495 -0.311 1.00 0.00 C ATOM 57 CD2 TRP A 5 -7.208 7.298 0.030 1.00 0.00 C ATOM 58 NE1 TRP A 5 -5.891 5.792 1.030 1.00 0.00 N ATOM 59 CE2 TRP A 5 -6.665 6.897 1.264 1.00 0.00 C ATOM 60 CE3 TRP A 5 -8.041 8.411 -0.010 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -6.933 7.576 2.450 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -8.310 9.086 1.164 1.00 0.00 C ATOM 63 CH2 TRP A 5 -7.756 8.668 2.381 1.00 0.00 C ATOM 0 H TRP A 5 -4.612 6.902 -1.901 1.00 0.00 H new ATOM 0 HA TRP A 5 -6.280 7.204 -4.273 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.088 6.680 -2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -6.902 5.420 -2.840 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.419 4.671 -0.780 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.366 5.274 1.735 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.470 8.742 -0.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -6.508 7.253 3.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -8.958 9.950 1.144 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.983 9.218 3.282 1.00 0.00 H new ATOM 74 N ALA A 6 -5.920 9.520 -2.039 1.00 0.00 N ATOM 75 CA ALA A 6 -6.247 10.896 -1.688 1.00 0.00 C ATOM 76 C ALA A 6 -6.060 11.826 -2.883 1.00 0.00 C ATOM 77 O ALA A 6 -6.758 12.832 -3.014 1.00 0.00 O ATOM 78 CB ALA A 6 -5.390 11.358 -0.520 1.00 0.00 C ATOM 0 H ALA A 6 -5.114 9.140 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.296 10.932 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.644 12.387 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.574 10.717 0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.337 11.301 -0.796 1.00 0.00 H new ATOM 84 N GLN A 7 -5.114 11.484 -3.753 1.00 0.00 N ATOM 85 CA GLN A 7 -4.839 12.291 -4.936 1.00 0.00 C ATOM 86 C GLN A 7 -6.060 12.347 -5.846 1.00 0.00 C ATOM 87 O GLN A 7 -6.288 13.342 -6.533 1.00 0.00 O ATOM 88 CB GLN A 7 -3.638 11.731 -5.701 1.00 0.00 C ATOM 89 CG GLN A 7 -3.817 10.289 -6.145 1.00 0.00 C ATOM 90 CD GLN A 7 -3.947 10.153 -7.650 1.00 0.00 C ATOM 91 OE1 GLN A 7 -5.052 10.159 -8.192 1.00 0.00 O ATOM 92 NE2 GLN A 7 -2.815 10.029 -8.333 1.00 0.00 N ATOM 0 H GLN A 7 -4.527 10.655 -3.661 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.604 13.304 -4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.455 12.352 -6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.752 11.801 -5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.966 9.699 -5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.705 9.874 -5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.921 10.029 -7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.840 9.934 -9.348 1.00 0.00 H new ATOM 101 N SER A 8 -6.848 11.275 -5.839 1.00 0.00 N ATOM 102 CA SER A 8 -8.052 11.210 -6.659 1.00 0.00 C ATOM 103 C SER A 8 -8.969 12.392 -6.359 1.00 0.00 C ATOM 104 O SER A 8 -9.754 12.814 -7.208 1.00 0.00 O ATOM 105 CB SER A 8 -8.794 9.896 -6.411 1.00 0.00 C ATOM 106 OG SER A 8 -8.001 8.783 -6.784 1.00 0.00 O ATOM 0 H SER A 8 -6.674 10.442 -5.276 1.00 0.00 H new ATOM 0 HA SER A 8 -7.756 11.255 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.061 9.819 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.725 9.889 -6.977 1.00 0.00 H new ATOM 0 HG SER A 8 -8.498 7.956 -6.614 1.00 0.00 H new ATOM 112 N GLN A 9 -8.858 12.925 -5.145 1.00 0.00 N ATOM 113 CA GLN A 9 -9.669 14.061 -4.729 1.00 0.00 C ATOM 114 C GLN A 9 -8.912 15.370 -4.934 1.00 0.00 C ATOM 115 O GLN A 9 -9.517 16.421 -5.145 1.00 0.00 O ATOM 116 CB GLN A 9 -10.073 13.917 -3.261 1.00 0.00 C ATOM 117 CG GLN A 9 -11.159 12.880 -3.027 1.00 0.00 C ATOM 118 CD GLN A 9 -11.967 13.154 -1.775 1.00 0.00 C ATOM 119 OE1 GLN A 9 -12.941 13.907 -1.803 1.00 0.00 O ATOM 120 NE2 GLN A 9 -11.566 12.543 -0.666 1.00 0.00 N ATOM 0 H GLN A 9 -8.212 12.586 -4.432 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.568 14.080 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.194 13.648 -2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.419 14.882 -2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -11.827 12.858 -3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.703 11.893 -2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.753 11.927 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.071 12.690 0.208 1.00 0.00 H new ATOM 129 N GLY A 10 -7.584 15.300 -4.873 1.00 0.00 N ATOM 130 CA GLY A 10 -6.773 16.490 -5.058 1.00 0.00 C ATOM 131 C GLY A 10 -5.572 16.536 -4.131 1.00 0.00 C ATOM 132 O GLY A 10 -4.581 17.205 -4.426 1.00 0.00 O ATOM 0 H GLY A 10 -7.058 14.444 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.430 16.533 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.389 17.373 -4.890 1.00 0.00 H new ATOM 136 N TYR A 11 -5.657 15.829 -3.009 1.00 0.00 N ATOM 137 CA TYR A 11 -4.564 15.800 -2.042 1.00 0.00 C ATOM 138 C TYR A 11 -3.328 15.132 -2.640 1.00 0.00 C ATOM 139 O TYR A 11 -3.291 14.832 -3.832 1.00 0.00 O ATOM 140 CB TYR A 11 -5.001 15.063 -0.773 1.00 0.00 C ATOM 141 CG TYR A 11 -5.649 15.961 0.257 1.00 0.00 C ATOM 142 CD1 TYR A 11 -7.032 16.068 0.338 1.00 0.00 C ATOM 143 CD2 TYR A 11 -4.881 16.701 1.148 1.00 0.00 C ATOM 144 CE1 TYR A 11 -7.630 16.886 1.278 1.00 0.00 C ATOM 145 CE2 TYR A 11 -5.472 17.521 2.090 1.00 0.00 C ATOM 146 CZ TYR A 11 -6.846 17.610 2.151 1.00 0.00 C ATOM 147 OH TYR A 11 -7.439 18.425 3.087 1.00 0.00 O ATOM 0 H TYR A 11 -6.469 15.270 -2.747 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.307 16.828 -1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.701 14.273 -1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.132 14.580 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.650 15.503 -0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.804 16.634 1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.706 16.958 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.860 18.089 2.775 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.747 18.864 3.624 1.00 0.00 H new ATOM 157 N ASN A 12 -2.317 14.906 -1.807 1.00 0.00 N ATOM 158 CA ASN A 12 -1.083 14.274 -2.259 1.00 0.00 C ATOM 159 C ASN A 12 -0.764 13.042 -1.419 1.00 0.00 C ATOM 160 O ASN A 12 -1.276 12.886 -0.311 1.00 0.00 O ATOM 161 CB ASN A 12 0.079 15.267 -2.189 1.00 0.00 C ATOM 162 CG ASN A 12 -0.197 16.536 -2.972 1.00 0.00 C ATOM 163 OD1 ASN A 12 -1.044 16.556 -3.866 1.00 0.00 O ATOM 164 ND2 ASN A 12 0.519 17.604 -2.640 1.00 0.00 N ATOM 0 H ASN A 12 -2.328 15.151 -0.817 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.223 13.961 -3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.274 15.521 -1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.982 14.794 -2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.378 18.486 -3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.210 17.542 -1.893 1.00 0.00 H new ATOM 171 N CYS A 13 0.082 12.167 -1.952 1.00 0.00 N ATOM 172 CA CYS A 13 0.466 10.949 -1.249 1.00 0.00 C ATOM 173 C CYS A 13 1.370 11.266 -0.063 1.00 0.00 C ATOM 174 O CYS A 13 2.197 12.176 -0.126 1.00 0.00 O ATOM 175 CB CYS A 13 1.181 9.990 -2.200 1.00 0.00 C ATOM 176 SG CYS A 13 0.428 9.878 -3.856 1.00 0.00 S ATOM 0 H CYS A 13 0.515 12.279 -2.869 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.442 10.475 -0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.218 10.308 -2.306 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.196 8.996 -1.752 1.00 0.00 H new ATOM 181 N CYS A 14 1.211 10.506 1.015 1.00 0.00 N ATOM 182 CA CYS A 14 2.017 10.704 2.213 1.00 0.00 C ATOM 183 C CYS A 14 3.152 9.689 2.273 1.00 0.00 C ATOM 184 O CYS A 14 2.951 8.547 2.686 1.00 0.00 O ATOM 185 CB CYS A 14 1.145 10.588 3.467 1.00 0.00 C ATOM 186 SG CYS A 14 1.254 12.015 4.598 1.00 0.00 S ATOM 0 H CYS A 14 0.532 9.748 1.083 1.00 0.00 H new ATOM 0 HA CYS A 14 2.447 11.705 2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.106 10.461 3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.430 9.687 4.010 1.00 0.00 H new ATOM 191 N ASN A 15 4.344 10.116 1.858 1.00 0.00 N ATOM 192 CA ASN A 15 5.527 9.254 1.861 1.00 0.00 C ATOM 193 C ASN A 15 5.552 8.359 3.100 1.00 0.00 C ATOM 194 O ASN A 15 5.081 8.752 4.165 1.00 0.00 O ATOM 195 CB ASN A 15 6.793 10.110 1.803 1.00 0.00 C ATOM 196 CG ASN A 15 8.061 9.280 1.781 1.00 0.00 C ATOM 197 OD1 ASN A 15 8.153 8.281 1.068 1.00 0.00 O ATOM 198 ND2 ASN A 15 9.046 9.693 2.568 1.00 0.00 N ATOM 0 H ASN A 15 4.517 11.060 1.513 1.00 0.00 H new ATOM 0 HA ASN A 15 5.486 8.611 0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.760 10.739 0.914 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.815 10.777 2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.925 9.176 2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.924 10.527 3.142 1.00 0.00 H new ATOM 205 N ASN A 16 6.088 7.151 2.946 1.00 0.00 N ATOM 206 CA ASN A 16 6.161 6.187 4.046 1.00 0.00 C ATOM 207 C ASN A 16 4.852 6.150 4.838 1.00 0.00 C ATOM 208 O ASN A 16 4.841 6.368 6.049 1.00 0.00 O ATOM 209 CB ASN A 16 7.336 6.502 4.979 1.00 0.00 C ATOM 210 CG ASN A 16 7.148 7.784 5.766 1.00 0.00 C ATOM 211 OD1 ASN A 16 7.458 8.912 5.142 1.00 0.00 O flip ATOM 212 ND2 ASN A 16 6.735 7.756 6.925 1.00 0.00 N flip ATOM 0 H ASN A 16 6.480 6.813 2.067 1.00 0.00 H new ATOM 0 HA ASN A 16 6.324 5.203 3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.472 5.673 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.250 6.576 4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.509 6.864 7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.619 8.625 7.446 1.00 0.00 H new ATOM 219 N PRO A 17 3.728 5.868 4.157 1.00 0.00 N ATOM 220 CA PRO A 17 2.411 5.799 4.800 1.00 0.00 C ATOM 221 C PRO A 17 2.342 4.703 5.859 1.00 0.00 C ATOM 222 O PRO A 17 1.434 4.686 6.689 1.00 0.00 O ATOM 223 CB PRO A 17 1.454 5.487 3.643 1.00 0.00 C ATOM 224 CG PRO A 17 2.316 4.917 2.569 1.00 0.00 C ATOM 225 CD PRO A 17 3.651 5.588 2.713 1.00 0.00 C ATOM 0 HA PRO A 17 2.170 6.723 5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.684 4.778 3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.942 6.387 3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.409 3.836 2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.889 5.105 1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.465 4.942 2.383 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.709 6.502 2.121 1.00 0.00 H new ATOM 233 N SER A 18 3.309 3.790 5.827 1.00 0.00 N ATOM 234 CA SER A 18 3.358 2.693 6.787 1.00 0.00 C ATOM 235 C SER A 18 3.792 3.183 8.168 1.00 0.00 C ATOM 236 O SER A 18 3.755 2.429 9.140 1.00 0.00 O ATOM 237 CB SER A 18 4.314 1.604 6.298 1.00 0.00 C ATOM 238 OG SER A 18 4.456 1.645 4.888 1.00 0.00 O ATOM 0 H SER A 18 4.069 3.789 5.146 1.00 0.00 H new ATOM 0 HA SER A 18 2.353 2.279 6.872 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.289 1.733 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.941 0.626 6.601 1.00 0.00 H new ATOM 0 HG SER A 18 5.073 0.940 4.601 1.00 0.00 H new ATOM 244 N SER A 19 4.199 4.448 8.252 1.00 0.00 N ATOM 245 CA SER A 19 4.632 5.028 9.516 1.00 0.00 C ATOM 246 C SER A 19 4.104 6.451 9.673 1.00 0.00 C ATOM 247 O SER A 19 4.536 7.189 10.559 1.00 0.00 O ATOM 248 CB SER A 19 6.160 5.026 9.605 1.00 0.00 C ATOM 249 OG SER A 19 6.594 5.237 10.937 1.00 0.00 O ATOM 0 H SER A 19 4.237 5.088 7.459 1.00 0.00 H new ATOM 0 HA SER A 19 4.226 4.419 10.324 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.547 4.075 9.239 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.566 5.805 8.959 1.00 0.00 H new ATOM 0 HG SER A 19 6.092 5.981 11.331 1.00 0.00 H new ATOM 255 N THR A 20 3.167 6.832 8.808 1.00 0.00 N ATOM 256 CA THR A 20 2.582 8.154 8.846 1.00 0.00 C ATOM 257 C THR A 20 1.581 8.268 9.993 1.00 0.00 C ATOM 258 O THR A 20 0.870 7.314 10.306 1.00 0.00 O ATOM 259 CB THR A 20 1.896 8.435 7.510 1.00 0.00 C ATOM 260 OG1 THR A 20 2.849 8.722 6.504 1.00 0.00 O ATOM 261 CG2 THR A 20 0.929 9.587 7.564 1.00 0.00 C ATOM 0 H THR A 20 2.800 6.232 8.069 1.00 0.00 H new ATOM 0 HA THR A 20 3.368 8.890 9.014 1.00 0.00 H new ATOM 0 HB THR A 20 1.340 7.526 7.279 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.745 8.751 6.901 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.479 9.730 6.582 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.148 9.373 8.293 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.459 10.494 7.856 1.00 0.00 H new ATOM 269 N LYS A 21 1.525 9.443 10.608 1.00 0.00 N ATOM 270 CA LYS A 21 0.603 9.681 11.711 1.00 0.00 C ATOM 271 C LYS A 21 -0.738 10.179 11.185 1.00 0.00 C ATOM 272 O LYS A 21 -0.836 11.290 10.664 1.00 0.00 O ATOM 273 CB LYS A 21 1.191 10.699 12.690 1.00 0.00 C ATOM 274 CG LYS A 21 0.261 11.042 13.844 1.00 0.00 C ATOM 275 CD LYS A 21 0.261 9.952 14.902 1.00 0.00 C ATOM 276 CE LYS A 21 0.199 10.536 16.304 1.00 0.00 C ATOM 277 NZ LYS A 21 0.641 9.556 17.334 1.00 0.00 N ATOM 0 H LYS A 21 2.106 10.244 10.362 1.00 0.00 H new ATOM 0 HA LYS A 21 0.447 8.739 12.236 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.125 10.307 13.092 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.436 11.612 12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.569 11.986 14.293 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.752 11.184 13.467 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.591 9.291 14.744 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.160 9.344 14.799 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.828 11.425 16.355 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.821 10.854 16.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.584 9.993 18.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.025 8.718 17.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.623 9.271 17.143 1.00 0.00 H new ATOM 291 N VAL A 22 -1.769 9.356 11.329 1.00 0.00 N ATOM 292 CA VAL A 22 -3.092 9.712 10.878 1.00 0.00 C ATOM 293 C VAL A 22 -3.852 10.407 11.992 1.00 0.00 C ATOM 294 O VAL A 22 -4.448 9.762 12.855 1.00 0.00 O ATOM 295 CB VAL A 22 -3.874 8.465 10.422 1.00 0.00 C ATOM 296 CG1 VAL A 22 -5.270 8.838 9.950 1.00 0.00 C ATOM 297 CG2 VAL A 22 -3.114 7.733 9.327 1.00 0.00 C ATOM 0 H VAL A 22 -1.705 8.433 11.759 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.989 10.388 10.029 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.978 7.797 11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.800 7.939 9.634 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.815 9.312 10.766 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.198 9.530 9.111 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.680 6.855 9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.976 8.397 8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.140 7.422 9.705 1.00 0.00 H new ATOM 307 N GLU A 23 -3.843 11.726 11.953 1.00 0.00 N ATOM 308 CA GLU A 23 -4.549 12.520 12.944 1.00 0.00 C ATOM 309 C GLU A 23 -5.971 12.776 12.471 1.00 0.00 C ATOM 310 O GLU A 23 -6.756 13.439 13.149 1.00 0.00 O ATOM 311 CB GLU A 23 -3.829 13.851 13.197 1.00 0.00 C ATOM 312 CG GLU A 23 -3.076 14.390 11.988 1.00 0.00 C ATOM 313 CD GLU A 23 -2.748 15.865 12.116 1.00 0.00 C ATOM 314 OE1 GLU A 23 -1.552 16.196 12.259 1.00 0.00 O ATOM 315 OE2 GLU A 23 -3.686 16.688 12.073 1.00 0.00 O ATOM 0 H GLU A 23 -3.354 12.273 11.244 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.572 11.966 13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.561 14.593 13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.127 13.721 14.021 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.152 13.826 11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.675 14.231 11.091 1.00 0.00 H new ATOM 322 N TYR A 24 -6.292 12.246 11.293 1.00 0.00 N ATOM 323 CA TYR A 24 -7.624 12.422 10.720 1.00 0.00 C ATOM 324 C TYR A 24 -8.159 11.119 10.137 1.00 0.00 C ATOM 325 O TYR A 24 -7.428 10.371 9.491 1.00 0.00 O ATOM 326 CB TYR A 24 -7.599 13.502 9.640 1.00 0.00 C ATOM 327 CG TYR A 24 -8.955 14.114 9.368 1.00 0.00 C ATOM 328 CD1 TYR A 24 -9.242 15.415 9.761 1.00 0.00 C ATOM 329 CD2 TYR A 24 -9.947 13.390 8.719 1.00 0.00 C ATOM 330 CE1 TYR A 24 -10.480 15.978 9.516 1.00 0.00 C ATOM 331 CE2 TYR A 24 -11.188 13.946 8.469 1.00 0.00 C ATOM 332 CZ TYR A 24 -11.449 15.239 8.869 1.00 0.00 C ATOM 333 OH TYR A 24 -12.683 15.796 8.623 1.00 0.00 O ATOM 0 H TYR A 24 -5.653 11.695 10.720 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.291 12.732 11.525 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.907 14.289 9.940 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.211 13.072 8.716 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.485 15.996 10.266 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.746 12.377 8.405 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.688 16.991 9.829 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.949 13.370 7.963 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.249 15.145 8.159 1.00 0.00 H new ATOM 343 N THR A 25 -9.444 10.864 10.352 1.00 0.00 N ATOM 344 CA THR A 25 -10.077 9.659 9.831 1.00 0.00 C ATOM 345 C THR A 25 -11.595 9.782 9.859 1.00 0.00 C ATOM 346 O THR A 25 -12.204 9.875 10.925 1.00 0.00 O ATOM 347 CB THR A 25 -9.639 8.430 10.625 1.00 0.00 C ATOM 348 OG1 THR A 25 -8.245 8.462 10.874 1.00 0.00 O ATOM 349 CG2 THR A 25 -9.952 7.129 9.917 1.00 0.00 C ATOM 0 H THR A 25 -10.067 11.474 10.882 1.00 0.00 H new ATOM 0 HA THR A 25 -9.759 9.540 8.795 1.00 0.00 H new ATOM 0 HB THR A 25 -10.203 8.467 11.557 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.781 8.823 10.090 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.618 6.292 10.530 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.027 7.053 9.754 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.437 7.104 8.957 1.00 0.00 H new ATOM 357 N ASP A 26 -12.198 9.776 8.677 1.00 0.00 N ATOM 358 CA ASP A 26 -13.645 9.881 8.551 1.00 0.00 C ATOM 359 C ASP A 26 -14.163 8.842 7.554 1.00 0.00 C ATOM 360 O ASP A 26 -13.618 7.742 7.465 1.00 0.00 O ATOM 361 CB ASP A 26 -14.030 11.302 8.120 1.00 0.00 C ATOM 362 CG ASP A 26 -13.615 11.611 6.694 1.00 0.00 C ATOM 363 OD1 ASP A 26 -12.659 10.974 6.203 1.00 0.00 O ATOM 364 OD2 ASP A 26 -14.246 12.489 6.069 1.00 0.00 O ATOM 0 H ASP A 26 -11.704 9.699 7.788 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.107 9.681 9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -15.109 11.427 8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.564 12.021 8.794 1.00 0.00 H new ATOM 369 N ALA A 27 -15.207 9.185 6.801 1.00 0.00 N ATOM 370 CA ALA A 27 -15.765 8.263 5.819 1.00 0.00 C ATOM 371 C ALA A 27 -14.996 8.320 4.500 1.00 0.00 C ATOM 372 O ALA A 27 -15.388 7.690 3.518 1.00 0.00 O ATOM 373 CB ALA A 27 -17.238 8.565 5.588 1.00 0.00 C ATOM 0 H ALA A 27 -15.679 10.088 6.853 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.669 7.253 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.641 7.869 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.783 8.458 6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.347 9.585 5.220 1.00 0.00 H new ATOM 379 N SER A 28 -13.895 9.067 4.485 1.00 0.00 N ATOM 380 CA SER A 28 -13.071 9.188 3.290 1.00 0.00 C ATOM 381 C SER A 28 -11.846 8.288 3.399 1.00 0.00 C ATOM 382 O SER A 28 -11.294 7.845 2.391 1.00 0.00 O ATOM 383 CB SER A 28 -12.639 10.641 3.085 1.00 0.00 C ATOM 384 OG SER A 28 -13.705 11.534 3.359 1.00 0.00 O ATOM 0 H SER A 28 -13.555 9.597 5.288 1.00 0.00 H new ATOM 0 HA SER A 28 -13.662 8.874 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.794 10.868 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.298 10.781 2.059 1.00 0.00 H new ATOM 0 HG SER A 28 -13.403 12.456 3.222 1.00 0.00 H new ATOM 390 N GLY A 29 -11.430 8.018 4.633 1.00 0.00 N ATOM 391 CA GLY A 29 -10.279 7.168 4.861 1.00 0.00 C ATOM 392 C GLY A 29 -9.361 7.709 5.940 1.00 0.00 C ATOM 393 O GLY A 29 -9.824 8.265 6.937 1.00 0.00 O ATOM 0 H GLY A 29 -11.872 8.375 5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.618 6.171 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.719 7.063 3.932 1.00 0.00 H new ATOM 397 N GLN A 30 -8.057 7.545 5.743 1.00 0.00 N ATOM 398 CA GLN A 30 -7.070 8.018 6.707 1.00 0.00 C ATOM 399 C GLN A 30 -6.209 9.125 6.107 1.00 0.00 C ATOM 400 O GLN A 30 -5.730 9.009 4.979 1.00 0.00 O ATOM 401 CB GLN A 30 -6.181 6.859 7.165 1.00 0.00 C ATOM 402 CG GLN A 30 -6.946 5.573 7.432 1.00 0.00 C ATOM 403 CD GLN A 30 -6.032 4.374 7.589 1.00 0.00 C ATOM 404 OE1 GLN A 30 -5.804 3.893 8.699 1.00 0.00 O ATOM 405 NE2 GLN A 30 -5.502 3.884 6.474 1.00 0.00 N ATOM 0 H GLN A 30 -7.659 7.087 4.923 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.603 8.423 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.424 6.670 6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.654 7.153 8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.543 5.691 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.641 5.391 6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.718 4.314 5.575 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.879 3.078 6.517 1.00 0.00 H new ATOM 414 N TRP A 31 -6.012 10.198 6.869 1.00 0.00 N ATOM 415 CA TRP A 31 -5.205 11.322 6.408 1.00 0.00 C ATOM 416 C TRP A 31 -4.180 11.724 7.463 1.00 0.00 C ATOM 417 O TRP A 31 -4.358 11.456 8.652 1.00 0.00 O ATOM 418 CB TRP A 31 -6.094 12.519 6.067 1.00 0.00 C ATOM 419 CG TRP A 31 -7.342 12.147 5.326 1.00 0.00 C ATOM 420 CD1 TRP A 31 -8.424 11.482 5.825 1.00 0.00 C ATOM 421 CD2 TRP A 31 -7.636 12.421 3.952 1.00 0.00 C ATOM 422 NE1 TRP A 31 -9.374 11.325 4.845 1.00 0.00 N ATOM 423 CE2 TRP A 31 -8.913 11.893 3.685 1.00 0.00 C ATOM 424 CE3 TRP A 31 -6.943 13.062 2.921 1.00 0.00 C ATOM 425 CZ2 TRP A 31 -9.510 11.988 2.430 1.00 0.00 C ATOM 426 CZ3 TRP A 31 -7.536 13.155 1.677 1.00 0.00 C ATOM 427 CH2 TRP A 31 -8.809 12.621 1.440 1.00 0.00 C ATOM 0 H TRP A 31 -6.399 10.312 7.806 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.676 11.006 5.509 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.368 13.032 6.989 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.522 13.226 5.467 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.520 11.130 6.842 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -10.275 10.862 4.961 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.961 13.477 3.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -10.491 11.577 2.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.009 13.648 0.873 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -9.246 12.711 0.456 1.00 0.00 H new ATOM 438 N GLY A 32 -3.109 12.370 7.018 1.00 0.00 N ATOM 439 CA GLY A 32 -2.068 12.806 7.926 1.00 0.00 C ATOM 440 C GLY A 32 -1.141 13.811 7.278 1.00 0.00 C ATOM 441 O GLY A 32 -1.199 14.027 6.067 1.00 0.00 O ATOM 0 H GLY A 32 -2.944 12.600 6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.521 13.249 8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.492 11.943 8.260 1.00 0.00 H new ATOM 445 N VAL A 33 -0.286 14.430 8.080 1.00 0.00 N ATOM 446 CA VAL A 33 0.652 15.420 7.570 1.00 0.00 C ATOM 447 C VAL A 33 2.093 14.969 7.785 1.00 0.00 C ATOM 448 O VAL A 33 2.579 14.923 8.915 1.00 0.00 O ATOM 449 CB VAL A 33 0.437 16.793 8.241 1.00 0.00 C ATOM 450 CG1 VAL A 33 0.326 16.635 9.748 1.00 0.00 C ATOM 451 CG2 VAL A 33 1.555 17.763 7.876 1.00 0.00 C ATOM 0 H VAL A 33 -0.222 14.265 9.084 1.00 0.00 H new ATOM 0 HA VAL A 33 0.466 15.519 6.501 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.498 17.211 7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.175 17.612 10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.519 15.988 9.985 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.243 16.191 10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.378 18.722 8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.511 17.358 8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.577 17.903 6.795 1.00 0.00 H new ATOM 461 N GLN A 34 2.772 14.645 6.691 1.00 0.00 N ATOM 462 CA GLN A 34 4.158 14.208 6.758 1.00 0.00 C ATOM 463 C GLN A 34 5.064 15.171 6.013 1.00 0.00 C ATOM 464 O GLN A 34 4.779 15.556 4.880 1.00 0.00 O ATOM 465 CB GLN A 34 4.320 12.810 6.162 1.00 0.00 C ATOM 466 CG GLN A 34 5.546 12.077 6.676 1.00 0.00 C ATOM 467 CD GLN A 34 5.211 10.737 7.297 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.185 9.700 6.472 1.00 0.00 O flip ATOM 469 NE2 GLN A 34 4.979 10.635 8.502 1.00 0.00 N flip ATOM 0 H GLN A 34 2.384 14.677 5.748 1.00 0.00 H new ATOM 0 HA GLN A 34 4.441 14.185 7.810 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.431 12.221 6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.381 12.890 5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.245 11.926 5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.052 12.698 7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.010 11.461 9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.755 9.724 8.903 1.00 0.00 H new ATOM 478 N ASN A 35 6.168 15.543 6.644 1.00 0.00 N ATOM 479 CA ASN A 35 7.123 16.444 6.022 1.00 0.00 C ATOM 480 C ASN A 35 6.480 17.795 5.701 1.00 0.00 C ATOM 481 O ASN A 35 6.601 18.311 4.590 1.00 0.00 O ATOM 482 CB ASN A 35 7.681 15.780 4.757 1.00 0.00 C ATOM 483 CG ASN A 35 8.579 16.689 3.945 1.00 0.00 C ATOM 484 OD1 ASN A 35 9.301 17.524 4.489 1.00 0.00 O ATOM 485 ND2 ASN A 35 8.532 16.523 2.630 1.00 0.00 N ATOM 0 H ASN A 35 6.423 15.236 7.583 1.00 0.00 H new ATOM 0 HA ASN A 35 7.940 16.639 6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.240 14.888 5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.851 15.450 4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.111 17.102 2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.917 15.817 2.227 1.00 0.00 H new ATOM 492 N GLY A 36 5.806 18.368 6.695 1.00 0.00 N ATOM 493 CA GLY A 36 5.164 19.660 6.520 1.00 0.00 C ATOM 494 C GLY A 36 4.256 19.728 5.305 1.00 0.00 C ATOM 495 O GLY A 36 4.320 20.685 4.533 1.00 0.00 O ATOM 0 H GLY A 36 5.693 17.959 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.581 19.891 7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.932 20.429 6.433 1.00 0.00 H new ATOM 499 N GLN A 37 3.404 18.723 5.135 1.00 0.00 N ATOM 500 CA GLN A 37 2.480 18.696 4.005 1.00 0.00 C ATOM 501 C GLN A 37 1.346 17.702 4.245 1.00 0.00 C ATOM 502 O GLN A 37 1.526 16.690 4.921 1.00 0.00 O ATOM 503 CB GLN A 37 3.227 18.354 2.711 1.00 0.00 C ATOM 504 CG GLN A 37 3.628 16.891 2.595 1.00 0.00 C ATOM 505 CD GLN A 37 3.057 16.228 1.357 1.00 0.00 C ATOM 506 OE1 GLN A 37 2.645 16.901 0.412 1.00 0.00 O ATOM 507 NE2 GLN A 37 3.029 14.901 1.357 1.00 0.00 N ATOM 0 H GLN A 37 3.333 17.920 5.761 1.00 0.00 H new ATOM 0 HA GLN A 37 2.042 19.689 3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.598 18.616 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.123 18.972 2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.715 16.816 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.288 16.353 3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.381 14.383 2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.655 14.399 0.552 1.00 0.00 H new ATOM 516 N TRP A 38 0.177 18.003 3.687 1.00 0.00 N ATOM 517 CA TRP A 38 -0.991 17.140 3.840 1.00 0.00 C ATOM 518 C TRP A 38 -0.939 15.975 2.861 1.00 0.00 C ATOM 519 O TRP A 38 -0.415 16.104 1.754 1.00 0.00 O ATOM 520 CB TRP A 38 -2.276 17.939 3.620 1.00 0.00 C ATOM 521 CG TRP A 38 -2.773 18.626 4.855 1.00 0.00 C ATOM 522 CD1 TRP A 38 -3.175 19.925 4.961 1.00 0.00 C ATOM 523 CD2 TRP A 38 -2.925 18.050 6.159 1.00 0.00 C ATOM 524 NE1 TRP A 38 -3.565 20.196 6.250 1.00 0.00 N ATOM 525 CE2 TRP A 38 -3.421 19.061 7.005 1.00 0.00 C ATOM 526 CE3 TRP A 38 -2.690 16.780 6.693 1.00 0.00 C ATOM 527 CZ2 TRP A 38 -3.685 18.839 8.354 1.00 0.00 C ATOM 528 CZ3 TRP A 38 -2.953 16.562 8.033 1.00 0.00 C ATOM 529 CH2 TRP A 38 -3.446 17.587 8.850 1.00 0.00 C ATOM 0 H TRP A 38 0.013 18.838 3.125 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.984 16.743 4.855 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -2.102 18.685 2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.052 17.269 3.250 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.185 20.637 4.149 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.906 21.095 6.590 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.310 15.983 6.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.065 19.628 8.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.775 15.585 8.457 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.641 17.385 9.893 1.00 0.00 H new ATOM 540 N CYS A 39 -1.489 14.838 3.272 1.00 0.00 N ATOM 541 CA CYS A 39 -1.506 13.652 2.425 1.00 0.00 C ATOM 542 C CYS A 39 -2.293 12.521 3.077 1.00 0.00 C ATOM 543 O CYS A 39 -2.528 12.528 4.285 1.00 0.00 O ATOM 544 CB CYS A 39 -0.079 13.185 2.117 1.00 0.00 C ATOM 545 SG CYS A 39 1.159 13.638 3.379 1.00 0.00 S ATOM 0 H CYS A 39 -1.928 14.713 4.184 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.999 13.921 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.082 12.101 2.003 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.228 13.605 1.159 1.00 0.00 H new ATOM 550 N GLY A 40 -2.695 11.547 2.266 1.00 0.00 N ATOM 551 CA GLY A 40 -3.448 10.418 2.776 1.00 0.00 C ATOM 552 C GLY A 40 -2.571 9.208 3.032 1.00 0.00 C ATOM 553 O GLY A 40 -1.485 9.091 2.464 1.00 0.00 O ATOM 0 H GLY A 40 -2.512 11.521 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.946 10.705 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.229 10.153 2.063 1.00 0.00 H new ATOM 557 N ILE A 41 -3.039 8.308 3.889 1.00 0.00 N ATOM 558 CA ILE A 41 -2.286 7.105 4.218 1.00 0.00 C ATOM 559 C ILE A 41 -2.714 5.933 3.338 1.00 0.00 C ATOM 560 O ILE A 41 -3.841 5.448 3.432 1.00 0.00 O ATOM 561 CB ILE A 41 -2.452 6.738 5.712 1.00 0.00 C ATOM 562 CG1 ILE A 41 -1.541 7.619 6.566 1.00 0.00 C ATOM 563 CG2 ILE A 41 -2.150 5.266 5.962 1.00 0.00 C ATOM 564 CD1 ILE A 41 -2.021 9.047 6.677 1.00 0.00 C ATOM 0 H ILE A 41 -3.936 8.389 4.368 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.233 7.313 4.028 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.491 6.914 5.991 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.465 7.190 7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.538 7.613 6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.277 5.043 7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.834 4.650 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.124 5.050 5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.328 9.617 7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.070 9.493 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.012 9.064 7.131 1.00 0.00 H new ATOM 576 N ASP A 42 -1.799 5.486 2.484 1.00 0.00 N ATOM 577 CA ASP A 42 -2.065 4.372 1.582 1.00 0.00 C ATOM 578 C ASP A 42 -0.847 3.460 1.484 1.00 0.00 C ATOM 579 O ASP A 42 0.056 3.696 0.681 1.00 0.00 O ATOM 580 CB ASP A 42 -2.450 4.882 0.187 1.00 0.00 C ATOM 581 CG ASP A 42 -1.938 6.284 -0.090 1.00 0.00 C ATOM 582 OD1 ASP A 42 -0.705 6.457 -0.193 1.00 0.00 O ATOM 583 OD2 ASP A 42 -2.770 7.207 -0.202 1.00 0.00 O ATOM 0 H ASP A 42 -0.862 5.881 2.398 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.901 3.802 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.054 4.200 -0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.535 4.871 0.088 1.00 0.00 H new ATOM 588 N TYR A 43 -0.828 2.419 2.309 1.00 0.00 N ATOM 589 CA TYR A 43 0.282 1.471 2.319 1.00 0.00 C ATOM 590 C TYR A 43 0.466 0.826 0.947 1.00 0.00 C ATOM 591 O TYR A 43 1.558 0.373 0.607 1.00 0.00 O ATOM 592 CB TYR A 43 0.054 0.387 3.377 1.00 0.00 C ATOM 593 CG TYR A 43 -0.552 0.901 4.667 1.00 0.00 C ATOM 594 CD1 TYR A 43 -0.214 2.153 5.169 1.00 0.00 C ATOM 595 CD2 TYR A 43 -1.465 0.134 5.380 1.00 0.00 C ATOM 596 CE1 TYR A 43 -0.767 2.623 6.345 1.00 0.00 C ATOM 597 CE2 TYR A 43 -2.022 0.598 6.556 1.00 0.00 C ATOM 598 CZ TYR A 43 -1.670 1.842 7.034 1.00 0.00 C ATOM 599 OH TYR A 43 -2.223 2.307 8.205 1.00 0.00 O ATOM 0 H TYR A 43 -1.568 2.210 2.979 1.00 0.00 H new ATOM 0 HA TYR A 43 1.189 2.023 2.566 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.599 -0.380 2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.007 -0.093 3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.492 2.768 4.631 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.744 -0.841 5.009 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.493 3.597 6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.730 -0.011 7.098 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.840 1.636 8.564 1.00 0.00 H new ATOM 609 N SER A 44 -0.609 0.786 0.164 1.00 0.00 N ATOM 610 CA SER A 44 -0.561 0.193 -1.168 1.00 0.00 C ATOM 611 C SER A 44 -0.686 1.261 -2.249 1.00 0.00 C ATOM 612 O SER A 44 -1.488 1.131 -3.174 1.00 0.00 O ATOM 613 CB SER A 44 -1.678 -0.838 -1.334 1.00 0.00 C ATOM 614 OG SER A 44 -1.265 -2.116 -0.884 1.00 0.00 O ATOM 0 H SER A 44 -1.522 1.157 0.429 1.00 0.00 H new ATOM 0 HA SER A 44 0.404 -0.301 -1.277 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.557 -0.519 -0.774 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.971 -0.896 -2.382 1.00 0.00 H new ATOM 0 HG SER A 44 -2.041 -2.610 -0.546 1.00 0.00 H new ATOM 620 N TYR A 45 0.109 2.318 -2.132 1.00 0.00 N ATOM 621 CA TYR A 45 0.073 3.397 -3.109 1.00 0.00 C ATOM 622 C TYR A 45 1.149 3.205 -4.183 1.00 0.00 C ATOM 623 O TYR A 45 1.626 4.168 -4.780 1.00 0.00 O ATOM 624 CB TYR A 45 0.209 4.758 -2.406 1.00 0.00 C ATOM 625 CG TYR A 45 1.617 5.301 -2.353 1.00 0.00 C ATOM 626 CD1 TYR A 45 2.695 4.453 -2.176 1.00 0.00 C ATOM 627 CD2 TYR A 45 1.863 6.661 -2.489 1.00 0.00 C ATOM 628 CE1 TYR A 45 3.983 4.937 -2.133 1.00 0.00 C ATOM 629 CE2 TYR A 45 3.150 7.158 -2.447 1.00 0.00 C ATOM 630 CZ TYR A 45 4.209 6.292 -2.269 1.00 0.00 C ATOM 631 OH TYR A 45 5.495 6.780 -2.228 1.00 0.00 O ATOM 0 H TYR A 45 0.781 2.450 -1.376 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.892 3.375 -3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.426 5.481 -2.917 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.169 4.666 -1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.523 3.392 -2.070 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.035 7.340 -2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.813 4.260 -1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.327 8.218 -2.553 1.00 0.00 H new ATOM 0 HH TYR A 45 5.479 7.753 -2.340 1.00 0.00 H new ATOM 743 N CYS A 54 3.930 -4.871 1.960 1.00 0.00 N ATOM 744 CA CYS A 54 3.077 -5.957 1.493 1.00 0.00 C ATOM 745 C CYS A 54 1.609 -5.555 1.535 1.00 0.00 C ATOM 746 O CYS A 54 1.233 -4.579 2.185 1.00 0.00 O ATOM 747 CB CYS A 54 3.325 -7.231 2.327 1.00 0.00 C ATOM 748 SG CYS A 54 1.841 -7.995 3.082 1.00 0.00 S ATOM 0 HA CYS A 54 3.332 -6.171 0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.806 -7.972 1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.030 -6.990 3.122 1.00 0.00 H new ATOM 753 N THR A 55 0.785 -6.336 0.853 1.00 0.00 N ATOM 754 CA THR A 55 -0.642 -6.102 0.815 1.00 0.00 C ATOM 755 C THR A 55 -1.291 -6.817 1.986 1.00 0.00 C ATOM 756 O THR A 55 -0.965 -7.966 2.282 1.00 0.00 O ATOM 757 CB THR A 55 -1.227 -6.597 -0.506 1.00 0.00 C ATOM 758 OG1 THR A 55 -0.642 -5.913 -1.600 1.00 0.00 O ATOM 759 CG2 THR A 55 -2.726 -6.416 -0.600 1.00 0.00 C ATOM 0 H THR A 55 1.090 -7.146 0.313 1.00 0.00 H new ATOM 0 HA THR A 55 -0.839 -5.032 0.890 1.00 0.00 H new ATOM 0 HB THR A 55 -1.003 -7.663 -0.541 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.175 -6.377 -1.877 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.078 -6.788 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.211 -6.972 0.203 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.971 -5.358 -0.508 1.00 0.00 H new ATOM 767 N GLY A 56 -2.181 -6.125 2.670 1.00 0.00 N ATOM 768 CA GLY A 56 -2.828 -6.704 3.826 1.00 0.00 C ATOM 769 C GLY A 56 -2.448 -5.971 5.095 1.00 0.00 C ATOM 770 O GLY A 56 -2.838 -6.361 6.194 1.00 0.00 O ATOM 0 H GLY A 56 -2.469 -5.172 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.910 -6.671 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.550 -7.754 3.913 1.00 0.00 H new ATOM 774 N ASN A 57 -1.693 -4.888 4.946 1.00 0.00 N ATOM 775 CA ASN A 57 -1.278 -4.101 6.097 1.00 0.00 C ATOM 776 C ASN A 57 -2.422 -3.208 6.575 1.00 0.00 C ATOM 777 O ASN A 57 -2.256 -2.409 7.497 1.00 0.00 O ATOM 778 CB ASN A 57 -0.061 -3.245 5.746 1.00 0.00 C ATOM 779 CG ASN A 57 1.231 -4.039 5.770 1.00 0.00 C ATOM 780 OD1 ASN A 57 1.373 -4.992 6.536 1.00 0.00 O ATOM 781 ND2 ASN A 57 2.181 -3.649 4.928 1.00 0.00 N ATOM 0 H ASN A 57 -1.359 -4.539 4.048 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.008 -4.786 6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.199 -2.811 4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.012 -2.416 6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.072 -4.145 4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.020 -2.853 4.311 1.00 0.00 H new ATOM 788 N GLY A 58 -3.591 -3.363 5.952 1.00 0.00 N ATOM 789 CA GLY A 58 -4.751 -2.586 6.334 1.00 0.00 C ATOM 790 C GLY A 58 -6.033 -3.390 6.230 1.00 0.00 C ATOM 791 O GLY A 58 -7.121 -2.823 6.126 1.00 0.00 O ATOM 0 H GLY A 58 -3.751 -4.018 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.628 -2.230 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.823 -1.705 5.697 1.00 0.00 H new ATOM 795 N SER A 59 -5.907 -4.718 6.253 1.00 0.00 N ATOM 796 CA SER A 59 -7.070 -5.595 6.154 1.00 0.00 C ATOM 797 C SER A 59 -6.767 -6.999 6.680 1.00 0.00 C ATOM 798 O SER A 59 -7.326 -7.424 7.691 1.00 0.00 O ATOM 799 CB SER A 59 -7.546 -5.677 4.703 1.00 0.00 C ATOM 800 OG SER A 59 -7.857 -4.392 4.194 1.00 0.00 O ATOM 0 H SER A 59 -5.015 -5.206 6.339 1.00 0.00 H new ATOM 0 HA SER A 59 -7.858 -5.167 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.772 -6.137 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.425 -6.318 4.641 1.00 0.00 H new ATOM 0 HG SER A 59 -7.940 -3.757 4.936 1.00 0.00 H new ATOM 806 N TYR A 60 -5.890 -7.719 5.984 1.00 0.00 N ATOM 807 CA TYR A 60 -5.530 -9.082 6.383 1.00 0.00 C ATOM 808 C TYR A 60 -4.011 -9.266 6.415 1.00 0.00 C ATOM 809 O TYR A 60 -3.271 -8.469 5.852 1.00 0.00 O ATOM 810 CB TYR A 60 -6.158 -10.119 5.438 1.00 0.00 C ATOM 811 CG TYR A 60 -7.166 -9.553 4.460 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.789 -8.609 3.514 1.00 0.00 C ATOM 813 CD2 TYR A 60 -8.491 -9.971 4.477 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.702 -8.095 2.614 1.00 0.00 C ATOM 815 CE2 TYR A 60 -9.412 -9.461 3.581 1.00 0.00 C ATOM 816 CZ TYR A 60 -9.012 -8.524 2.651 1.00 0.00 C ATOM 817 OH TYR A 60 -9.925 -8.015 1.757 1.00 0.00 O ATOM 0 H TYR A 60 -5.416 -7.385 5.145 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.922 -9.239 7.388 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.362 -10.608 4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.645 -10.889 6.037 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.764 -8.271 3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.807 -10.706 5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.392 -7.361 1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.439 -9.794 3.609 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.756 -8.390 0.867 1.00 0.00 H new ATOM 827 N PRO A 61 -3.529 -10.330 7.078 1.00 0.00 N ATOM 828 CA PRO A 61 -2.089 -10.617 7.187 1.00 0.00 C ATOM 829 C PRO A 61 -1.402 -10.776 5.833 1.00 0.00 C ATOM 830 O PRO A 61 -2.055 -10.992 4.812 1.00 0.00 O ATOM 831 CB PRO A 61 -2.044 -11.943 7.961 1.00 0.00 C ATOM 832 CG PRO A 61 -3.411 -12.520 7.816 1.00 0.00 C ATOM 833 CD PRO A 61 -4.338 -11.343 7.772 1.00 0.00 C ATOM 0 HA PRO A 61 -1.560 -9.797 7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.287 -12.613 7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.793 -11.780 9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.491 -13.117 6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.650 -13.178 8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.257 -11.570 7.231 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.628 -11.017 8.771 1.00 0.00 H new ATOM 841 N CYS A 62 -0.073 -10.682 5.843 1.00 0.00 N ATOM 842 CA CYS A 62 0.724 -10.831 4.629 1.00 0.00 C ATOM 843 C CYS A 62 0.671 -12.277 4.144 1.00 0.00 C ATOM 844 O CYS A 62 0.323 -13.179 4.906 1.00 0.00 O ATOM 845 CB CYS A 62 2.177 -10.427 4.900 1.00 0.00 C ATOM 846 SG CYS A 62 2.476 -8.625 4.906 1.00 0.00 S ATOM 0 H CYS A 62 0.476 -10.502 6.684 1.00 0.00 H new ATOM 0 HA CYS A 62 0.313 -10.181 3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.480 -10.836 5.864 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.815 -10.885 4.144 1.00 0.00 H new ATOM 851 N CYS A 63 1.010 -12.499 2.878 1.00 0.00 N ATOM 852 CA CYS A 63 0.989 -13.845 2.315 1.00 0.00 C ATOM 853 C CYS A 63 2.403 -14.368 2.096 1.00 0.00 C ATOM 854 O CYS A 63 2.851 -15.255 2.817 1.00 0.00 O ATOM 855 CB CYS A 63 0.208 -13.857 0.998 1.00 0.00 C ATOM 856 SG CYS A 63 -1.115 -15.109 0.918 1.00 0.00 S ATOM 0 H CYS A 63 1.301 -11.770 2.226 1.00 0.00 H new ATOM 0 HA CYS A 63 0.491 -14.503 3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.231 -12.872 0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.905 -14.030 0.178 1.00 0.00 H new ATOM 861 N ASN A 64 3.081 -13.802 1.093 1.00 0.00 N ATOM 862 CA ASN A 64 4.459 -14.167 0.714 1.00 0.00 C ATOM 863 C ASN A 64 4.501 -14.659 -0.725 1.00 0.00 C ATOM 864 O ASN A 64 5.503 -14.499 -1.423 1.00 0.00 O ATOM 865 CB ASN A 64 5.073 -15.237 1.639 1.00 0.00 C ATOM 866 CG ASN A 64 4.556 -16.647 1.377 1.00 0.00 C ATOM 867 OD1 ASN A 64 4.508 -17.106 0.236 1.00 0.00 O ATOM 868 ND2 ASN A 64 4.178 -17.345 2.441 1.00 0.00 N ATOM 0 H ASN A 64 2.686 -13.065 0.509 1.00 0.00 H new ATOM 0 HA ASN A 64 5.057 -13.262 0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.156 -15.229 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 64 4.865 -14.971 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.832 -18.298 2.329 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.233 -16.928 3.370 1.00 0.00 H new ATOM 875 N THR A 65 3.406 -15.267 -1.156 1.00 0.00 N ATOM 876 CA THR A 65 3.302 -15.800 -2.502 1.00 0.00 C ATOM 877 C THR A 65 3.217 -14.684 -3.535 1.00 0.00 C ATOM 878 O THR A 65 2.546 -13.675 -3.320 1.00 0.00 O ATOM 879 CB THR A 65 2.069 -16.696 -2.595 1.00 0.00 C ATOM 880 OG1 THR A 65 2.086 -17.455 -3.791 1.00 0.00 O ATOM 881 CG2 THR A 65 0.764 -15.924 -2.553 1.00 0.00 C ATOM 0 H THR A 65 2.571 -15.403 -0.586 1.00 0.00 H new ATOM 0 HA THR A 65 4.199 -16.381 -2.715 1.00 0.00 H new ATOM 0 HB THR A 65 2.116 -17.344 -1.720 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.178 -17.511 -4.156 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.072 -16.619 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.698 -15.371 -1.616 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.727 -15.226 -3.390 1.00 0.00 H new ATOM 889 N CYS A 66 3.886 -14.881 -4.665 1.00 0.00 N ATOM 890 CA CYS A 66 3.869 -13.899 -5.740 1.00 0.00 C ATOM 891 C CYS A 66 2.861 -14.312 -6.802 1.00 0.00 C ATOM 892 O CYS A 66 3.056 -14.077 -7.995 1.00 0.00 O ATOM 893 CB CYS A 66 5.261 -13.751 -6.355 1.00 0.00 C ATOM 894 SG CYS A 66 6.576 -13.456 -5.132 1.00 0.00 S ATOM 0 H CYS A 66 4.446 -15.711 -4.859 1.00 0.00 H new ATOM 0 HA CYS A 66 3.574 -12.934 -5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.497 -14.654 -6.918 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.248 -12.926 -7.067 1.00 0.00 H new ATOM 0 HG CYS A 66 7.719 -13.346 -5.742 1.00 0.00 H new ATOM 899 N GLN A 67 1.778 -14.928 -6.346 1.00 0.00 N ATOM 900 CA GLN A 67 0.716 -15.386 -7.226 1.00 0.00 C ATOM 901 C GLN A 67 -0.611 -14.779 -6.780 1.00 0.00 C ATOM 902 O GLN A 67 -1.309 -15.329 -5.931 1.00 0.00 O ATOM 903 CB GLN A 67 0.670 -16.926 -7.223 1.00 0.00 C ATOM 904 CG GLN A 67 -0.722 -17.540 -7.346 1.00 0.00 C ATOM 905 CD GLN A 67 -1.199 -18.164 -6.047 1.00 0.00 C ATOM 906 OE1 GLN A 67 -0.868 -17.534 -4.923 1.00 0.00 O flip ATOM 907 NE2 GLN A 67 -1.860 -19.203 -6.052 1.00 0.00 N flip ATOM 0 H GLN A 67 1.613 -15.123 -5.358 1.00 0.00 H new ATOM 0 HA GLN A 67 0.908 -15.060 -8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.284 -17.292 -8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.126 -17.284 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.429 -16.771 -7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.713 -18.299 -8.128 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.093 -19.655 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.175 -19.611 -5.172 1.00 0.00 H new ATOM 916 N ALA A 68 -0.944 -13.633 -7.351 1.00 0.00 N ATOM 917 CA ALA A 68 -2.173 -12.942 -7.009 1.00 0.00 C ATOM 918 C ALA A 68 -3.354 -13.531 -7.759 1.00 0.00 C ATOM 919 O ALA A 68 -3.387 -13.537 -8.990 1.00 0.00 O ATOM 920 CB ALA A 68 -2.040 -11.460 -7.298 1.00 0.00 C ATOM 0 H ALA A 68 -0.377 -13.162 -8.056 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.355 -13.073 -5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.969 -10.954 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.223 -11.046 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.832 -11.313 -8.358 1.00 0.00 H new ATOM 926 N THR A 69 -4.320 -14.027 -7.005 1.00 0.00 N ATOM 927 CA THR A 69 -5.514 -14.627 -7.591 1.00 0.00 C ATOM 928 C THR A 69 -6.657 -13.619 -7.660 1.00 0.00 C ATOM 929 O THR A 69 -7.578 -13.771 -8.462 1.00 0.00 O ATOM 930 CB THR A 69 -5.944 -15.872 -6.799 1.00 0.00 C ATOM 931 OG1 THR A 69 -7.356 -15.974 -6.737 1.00 0.00 O ATOM 932 CG2 THR A 69 -5.421 -15.895 -5.381 1.00 0.00 C ATOM 0 H THR A 69 -4.304 -14.028 -5.985 1.00 0.00 H new ATOM 0 HA THR A 69 -5.268 -14.933 -8.608 1.00 0.00 H new ATOM 0 HB THR A 69 -5.513 -16.713 -7.342 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.604 -16.775 -6.229 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.763 -16.801 -4.882 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.331 -15.878 -5.395 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.791 -15.022 -4.843 1.00 0.00 H new ATOM 940 N TYR A 70 -6.597 -12.586 -6.822 1.00 0.00 N ATOM 941 CA TYR A 70 -7.634 -11.566 -6.810 1.00 0.00 C ATOM 942 C TYR A 70 -7.058 -10.215 -6.400 1.00 0.00 C ATOM 943 O TYR A 70 -6.278 -10.124 -5.455 1.00 0.00 O ATOM 944 CB TYR A 70 -8.782 -11.990 -5.879 1.00 0.00 C ATOM 945 CG TYR A 70 -8.743 -11.376 -4.492 1.00 0.00 C ATOM 946 CD1 TYR A 70 -8.470 -12.155 -3.375 1.00 0.00 C ATOM 947 CD2 TYR A 70 -8.988 -10.021 -4.302 1.00 0.00 C ATOM 948 CE1 TYR A 70 -8.443 -11.602 -2.109 1.00 0.00 C ATOM 949 CE2 TYR A 70 -8.961 -9.461 -3.041 1.00 0.00 C ATOM 950 CZ TYR A 70 -8.689 -10.255 -1.948 1.00 0.00 C ATOM 951 OH TYR A 70 -8.663 -9.700 -0.689 1.00 0.00 O ATOM 0 H TYR A 70 -5.846 -12.437 -6.148 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.035 -11.460 -7.818 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -9.729 -11.726 -6.350 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -8.767 -13.075 -5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.276 -13.210 -3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.203 -9.396 -5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.230 -12.222 -1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.152 -8.406 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.803 -9.251 -0.547 1.00 0.00 H new ATOM 961 N THR A 71 -7.454 -9.169 -7.113 1.00 0.00 N ATOM 962 CA THR A 71 -6.982 -7.823 -6.820 1.00 0.00 C ATOM 963 C THR A 71 -8.154 -6.889 -6.554 1.00 0.00 C ATOM 964 O THR A 71 -9.137 -6.879 -7.295 1.00 0.00 O ATOM 965 CB THR A 71 -6.137 -7.286 -7.978 1.00 0.00 C ATOM 966 OG1 THR A 71 -4.951 -8.047 -8.126 1.00 0.00 O ATOM 967 CG2 THR A 71 -5.733 -5.836 -7.806 1.00 0.00 C ATOM 0 H THR A 71 -8.101 -9.227 -7.899 1.00 0.00 H new ATOM 0 HA THR A 71 -6.362 -7.869 -5.925 1.00 0.00 H new ATOM 0 HB THR A 71 -6.773 -7.366 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.172 -7.457 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.137 -5.520 -8.662 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.626 -5.215 -7.737 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.145 -5.728 -6.895 1.00 0.00 H new ATOM 975 N ASP A 72 -8.038 -6.105 -5.493 1.00 0.00 N ATOM 976 CA ASP A 72 -9.081 -5.162 -5.124 1.00 0.00 C ATOM 977 C ASP A 72 -8.534 -3.741 -5.101 1.00 0.00 C ATOM 978 O ASP A 72 -7.440 -3.478 -5.600 1.00 0.00 O ATOM 979 CB ASP A 72 -9.669 -5.523 -3.758 1.00 0.00 C ATOM 980 CG ASP A 72 -11.178 -5.387 -3.722 1.00 0.00 C ATOM 981 OD1 ASP A 72 -11.668 -4.249 -3.557 1.00 0.00 O ATOM 982 OD2 ASP A 72 -11.871 -6.417 -3.861 1.00 0.00 O ATOM 0 H ASP A 72 -7.229 -6.104 -4.871 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.872 -5.218 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.394 -6.547 -3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.231 -4.879 -2.996 1.00 0.00 H new ATOM 987 N GLY A 73 -9.300 -2.828 -4.517 1.00 0.00 N ATOM 988 CA GLY A 73 -8.875 -1.444 -4.439 1.00 0.00 C ATOM 989 C GLY A 73 -7.716 -1.230 -3.479 1.00 0.00 C ATOM 990 O GLY A 73 -7.266 -0.100 -3.294 1.00 0.00 O ATOM 0 H GLY A 73 -10.209 -3.022 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.584 -1.103 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.718 -0.828 -4.125 1.00 0.00 H new ATOM 994 N ASP A 74 -7.225 -2.308 -2.866 1.00 0.00 N ATOM 995 CA ASP A 74 -6.112 -2.204 -1.928 1.00 0.00 C ATOM 996 C ASP A 74 -4.899 -2.991 -2.420 1.00 0.00 C ATOM 997 O ASP A 74 -3.955 -3.226 -1.666 1.00 0.00 O ATOM 998 CB ASP A 74 -6.529 -2.696 -0.536 1.00 0.00 C ATOM 999 CG ASP A 74 -7.703 -3.659 -0.577 1.00 0.00 C ATOM 1000 OD1 ASP A 74 -7.677 -4.592 -1.406 1.00 0.00 O ATOM 1001 OD2 ASP A 74 -8.646 -3.478 0.221 1.00 0.00 O ATOM 0 H ASP A 74 -7.579 -3.255 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.833 -1.152 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.680 -3.186 -0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.790 -1.838 0.084 1.00 0.00 H new ATOM 1006 N GLY A 75 -4.926 -3.396 -3.689 1.00 0.00 N ATOM 1007 CA GLY A 75 -3.820 -4.147 -4.250 1.00 0.00 C ATOM 1008 C GLY A 75 -4.200 -5.577 -4.576 1.00 0.00 C ATOM 1009 O GLY A 75 -5.355 -5.971 -4.416 1.00 0.00 O ATOM 0 H GLY A 75 -5.694 -3.216 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.470 -3.651 -5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.989 -4.146 -3.545 1.00 0.00 H new ATOM 1013 N ASP A 76 -3.226 -6.355 -5.033 1.00 0.00 N ATOM 1014 CA ASP A 76 -3.466 -7.751 -5.379 1.00 0.00 C ATOM 1015 C ASP A 76 -3.669 -8.584 -4.119 1.00 0.00 C ATOM 1016 O ASP A 76 -3.469 -8.097 -3.006 1.00 0.00 O ATOM 1017 CB ASP A 76 -2.300 -8.310 -6.198 1.00 0.00 C ATOM 1018 CG ASP A 76 -1.724 -7.294 -7.166 1.00 0.00 C ATOM 1019 OD1 ASP A 76 -2.510 -6.669 -7.909 1.00 0.00 O ATOM 1020 OD2 ASP A 76 -0.487 -7.123 -7.180 1.00 0.00 O ATOM 0 H ASP A 76 -2.265 -6.044 -5.172 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.372 -7.803 -5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.515 -8.647 -5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.638 -9.184 -6.754 1.00 0.00 H new ATOM 1025 N TRP A 77 -4.079 -9.836 -4.297 1.00 0.00 N ATOM 1026 CA TRP A 77 -4.322 -10.722 -3.165 1.00 0.00 C ATOM 1027 C TRP A 77 -4.227 -12.188 -3.564 1.00 0.00 C ATOM 1028 O TRP A 77 -4.538 -12.560 -4.696 1.00 0.00 O ATOM 1029 CB TRP A 77 -5.698 -10.435 -2.563 1.00 0.00 C ATOM 1030 CG TRP A 77 -5.872 -9.007 -2.149 1.00 0.00 C ATOM 1031 CD1 TRP A 77 -6.395 -7.990 -2.896 1.00 0.00 C ATOM 1032 CD2 TRP A 77 -5.510 -8.434 -0.890 1.00 0.00 C ATOM 1033 NE1 TRP A 77 -6.385 -6.822 -2.175 1.00 0.00 N ATOM 1034 CE2 TRP A 77 -5.846 -7.069 -0.941 1.00 0.00 C ATOM 1035 CE3 TRP A 77 -4.936 -8.943 0.277 1.00 0.00 C ATOM 1036 CZ2 TRP A 77 -5.626 -6.209 0.128 1.00 0.00 C ATOM 1037 CZ3 TRP A 77 -4.718 -8.087 1.338 1.00 0.00 C ATOM 1038 CH2 TRP A 77 -5.063 -6.733 1.258 1.00 0.00 C ATOM 0 H TRP A 77 -4.249 -10.258 -5.210 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.549 -10.529 -2.422 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.467 -10.692 -3.291 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.851 -11.079 -1.697 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -6.763 -8.090 -3.907 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.724 -5.918 -2.505 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -4.668 -9.987 0.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -5.890 -5.164 0.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.274 -8.469 2.245 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -4.881 -6.089 2.106 1.00 0.00 H new ATOM 1049 N ALA A 78 -3.799 -13.015 -2.617 1.00 0.00 N ATOM 1050 CA ALA A 78 -3.664 -14.444 -2.851 1.00 0.00 C ATOM 1051 C ALA A 78 -4.085 -15.240 -1.620 1.00 0.00 C ATOM 1052 O ALA A 78 -3.884 -14.802 -0.487 1.00 0.00 O ATOM 1053 CB ALA A 78 -2.237 -14.784 -3.245 1.00 0.00 C ATOM 0 H ALA A 78 -3.539 -12.717 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.326 -14.719 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.153 -15.857 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.974 -14.249 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.559 -14.490 -2.444 1.00 0.00 H new ATOM 1059 N PHE A 79 -4.674 -16.409 -1.850 1.00 0.00 N ATOM 1060 CA PHE A 79 -5.129 -17.262 -0.759 1.00 0.00 C ATOM 1061 C PHE A 79 -4.169 -18.426 -0.534 1.00 0.00 C ATOM 1062 O PHE A 79 -4.028 -19.302 -1.388 1.00 0.00 O ATOM 1063 CB PHE A 79 -6.532 -17.795 -1.054 1.00 0.00 C ATOM 1064 CG PHE A 79 -7.117 -18.602 0.069 1.00 0.00 C ATOM 1065 CD1 PHE A 79 -7.111 -19.987 0.021 1.00 0.00 C ATOM 1066 CD2 PHE A 79 -7.675 -17.976 1.173 1.00 0.00 C ATOM 1067 CE1 PHE A 79 -7.650 -20.733 1.052 1.00 0.00 C ATOM 1068 CE2 PHE A 79 -8.215 -18.717 2.207 1.00 0.00 C ATOM 1069 CZ PHE A 79 -8.202 -20.097 2.147 1.00 0.00 C ATOM 0 H PHE A 79 -4.847 -16.787 -2.782 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.157 -16.660 0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.193 -16.955 -1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.496 -18.411 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.680 -20.489 -0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.688 -16.897 1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.640 -21.812 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.647 -18.217 3.062 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.623 -20.678 2.955 1.00 0.00 H new ATOM 1079 N GLU A 80 -3.515 -18.432 0.623 1.00 0.00 N ATOM 1080 CA GLU A 80 -2.574 -19.492 0.964 1.00 0.00 C ATOM 1081 C GLU A 80 -2.646 -19.820 2.452 1.00 0.00 C ATOM 1082 O GLU A 80 -3.100 -19.006 3.256 1.00 0.00 O ATOM 1083 CB GLU A 80 -1.147 -19.089 0.575 1.00 0.00 C ATOM 1084 CG GLU A 80 -0.456 -18.189 1.590 1.00 0.00 C ATOM 1085 CD GLU A 80 0.463 -18.958 2.519 1.00 0.00 C ATOM 1086 OE1 GLU A 80 0.661 -18.505 3.666 1.00 0.00 O ATOM 1087 OE2 GLU A 80 0.984 -20.013 2.100 1.00 0.00 O ATOM 0 H GLU A 80 -3.620 -17.714 1.340 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.848 -20.385 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.550 -19.991 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.175 -18.578 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.120 -17.428 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.209 -17.667 2.180 1.00 0.00 H new ATOM 1094 N ASN A 81 -2.197 -21.018 2.813 1.00 0.00 N ATOM 1095 CA ASN A 81 -2.213 -21.452 4.205 1.00 0.00 C ATOM 1096 C ASN A 81 -3.612 -21.322 4.802 1.00 0.00 C ATOM 1097 O ASN A 81 -3.770 -21.196 6.016 1.00 0.00 O ATOM 1098 CB ASN A 81 -1.217 -20.634 5.028 1.00 0.00 C ATOM 1099 CG ASN A 81 -0.688 -21.400 6.225 1.00 0.00 C ATOM 1100 OD1 ASN A 81 -1.341 -21.476 7.265 1.00 0.00 O ATOM 1101 ND2 ASN A 81 0.502 -21.972 6.083 1.00 0.00 N ATOM 0 H ASN A 81 -1.818 -21.705 2.161 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.922 -22.502 4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.383 -20.337 4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.699 -19.718 5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.909 -22.500 6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.009 -21.883 5.202 1.00 0.00 H new ATOM 1108 N GLY A 82 -4.624 -21.353 3.940 1.00 0.00 N ATOM 1109 CA GLY A 82 -5.995 -21.237 4.401 1.00 0.00 C ATOM 1110 C GLY A 82 -6.308 -19.860 4.955 1.00 0.00 C ATOM 1111 O GLY A 82 -7.033 -19.733 5.941 1.00 0.00 O ATOM 0 H GLY A 82 -4.519 -21.456 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.672 -21.455 3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.180 -21.986 5.171 1.00 0.00 H new ATOM 1115 N ASN A 83 -5.761 -18.826 4.321 1.00 0.00 N ATOM 1116 CA ASN A 83 -5.991 -17.455 4.764 1.00 0.00 C ATOM 1117 C ASN A 83 -5.924 -16.480 3.593 1.00 0.00 C ATOM 1118 O ASN A 83 -5.193 -16.701 2.628 1.00 0.00 O ATOM 1119 CB ASN A 83 -4.964 -17.062 5.828 1.00 0.00 C ATOM 1120 CG ASN A 83 -4.842 -18.102 6.925 1.00 0.00 C ATOM 1121 OD1 ASN A 83 -3.695 -18.769 6.982 1.00 0.00 O flip ATOM 1122 ND2 ASN A 83 -5.766 -18.302 7.712 1.00 0.00 N flip ATOM 0 H ASN A 83 -5.158 -18.911 3.503 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.991 -17.405 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.992 -16.920 5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.248 -16.106 6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.630 -17.766 7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.668 -19.004 8.446 1.00 0.00 H new ATOM 1129 N TRP A 84 -6.693 -15.399 3.688 1.00 0.00 N ATOM 1130 CA TRP A 84 -6.722 -14.385 2.639 1.00 0.00 C ATOM 1131 C TRP A 84 -5.694 -13.293 2.914 1.00 0.00 C ATOM 1132 O TRP A 84 -6.000 -12.282 3.546 1.00 0.00 O ATOM 1133 CB TRP A 84 -8.119 -13.772 2.531 1.00 0.00 C ATOM 1134 CG TRP A 84 -9.132 -14.702 1.937 1.00 0.00 C ATOM 1135 CD1 TRP A 84 -10.121 -15.369 2.601 1.00 0.00 C ATOM 1136 CD2 TRP A 84 -9.255 -15.069 0.558 1.00 0.00 C ATOM 1137 NE1 TRP A 84 -10.852 -16.128 1.719 1.00 0.00 N ATOM 1138 CE2 TRP A 84 -10.340 -15.961 0.459 1.00 0.00 C ATOM 1139 CE3 TRP A 84 -8.554 -14.730 -0.602 1.00 0.00 C ATOM 1140 CZ2 TRP A 84 -10.738 -16.517 -0.754 1.00 0.00 C ATOM 1141 CZ3 TRP A 84 -8.950 -15.282 -1.806 1.00 0.00 C ATOM 1142 CH2 TRP A 84 -10.034 -16.167 -1.874 1.00 0.00 C ATOM 0 H TRP A 84 -7.304 -15.203 4.481 1.00 0.00 H new ATOM 0 HA TRP A 84 -6.472 -14.867 1.694 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -8.453 -13.469 3.524 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -8.065 -12.869 1.923 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -10.302 -15.309 3.664 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -11.646 -16.719 1.963 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -7.717 -14.049 -0.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -11.573 -17.200 -0.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.415 -15.027 -2.709 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -10.320 -16.581 -2.830 1.00 0.00 H new ATOM 1153 N CYS A 85 -4.475 -13.507 2.434 1.00 0.00 N ATOM 1154 CA CYS A 85 -3.395 -12.542 2.623 1.00 0.00 C ATOM 1155 C CYS A 85 -3.118 -11.777 1.333 1.00 0.00 C ATOM 1156 O CYS A 85 -3.545 -12.186 0.253 1.00 0.00 O ATOM 1157 CB CYS A 85 -2.111 -13.234 3.107 1.00 0.00 C ATOM 1158 SG CYS A 85 -2.007 -15.021 2.742 1.00 0.00 S ATOM 0 H CYS A 85 -4.208 -14.341 1.910 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.717 -11.836 3.388 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.255 -12.736 2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.026 -13.094 4.185 1.00 0.00 H new ATOM 1163 N GLY A 86 -2.403 -10.662 1.452 1.00 0.00 N ATOM 1164 CA GLY A 86 -2.084 -9.857 0.287 1.00 0.00 C ATOM 1165 C GLY A 86 -0.733 -10.204 -0.307 1.00 0.00 C ATOM 1166 O GLY A 86 0.098 -10.830 0.350 1.00 0.00 O ATOM 0 H GLY A 86 -2.039 -10.302 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.856 -9.996 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.096 -8.803 0.564 1.00 0.00 H new ATOM 1170 N ILE A 87 -0.515 -9.803 -1.555 1.00 0.00 N ATOM 1171 CA ILE A 87 0.741 -10.082 -2.242 1.00 0.00 C ATOM 1172 C ILE A 87 1.815 -9.059 -1.871 1.00 0.00 C ATOM 1173 O ILE A 87 1.516 -7.899 -1.589 1.00 0.00 O ATOM 1174 CB ILE A 87 0.530 -10.122 -3.781 1.00 0.00 C ATOM 1175 CG1 ILE A 87 0.680 -11.551 -4.311 1.00 0.00 C ATOM 1176 CG2 ILE A 87 1.495 -9.194 -4.509 1.00 0.00 C ATOM 1177 CD1 ILE A 87 -0.107 -12.581 -3.534 1.00 0.00 C ATOM 0 H ILE A 87 -1.193 -9.283 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 87 1.087 -11.063 -1.917 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.484 -9.773 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.362 -11.576 -5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.735 -11.825 -4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.315 -9.251 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.341 -8.170 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.520 -9.496 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.052 -13.567 -3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.226 -12.587 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.168 -12.334 -3.573 1.00 0.00 H new ATOM 1189 N LYS A 88 3.066 -9.509 -1.873 1.00 0.00 N ATOM 1190 CA LYS A 88 4.198 -8.652 -1.537 1.00 0.00 C ATOM 1191 C LYS A 88 4.544 -7.731 -2.700 1.00 0.00 C ATOM 1192 O LYS A 88 4.494 -8.138 -3.860 1.00 0.00 O ATOM 1193 CB LYS A 88 5.417 -9.504 -1.171 1.00 0.00 C ATOM 1194 CG LYS A 88 5.091 -10.689 -0.274 1.00 0.00 C ATOM 1195 CD LYS A 88 4.936 -10.264 1.178 1.00 0.00 C ATOM 1196 CE LYS A 88 3.542 -10.554 1.707 1.00 0.00 C ATOM 1197 NZ LYS A 88 2.480 -10.054 0.793 1.00 0.00 N ATOM 0 H LYS A 88 3.322 -10.469 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 88 3.917 -8.040 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.881 -9.870 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.152 -8.874 -0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.171 -11.163 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.882 -11.435 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.672 -10.786 1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.144 -9.198 1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.424 -11.629 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.423 -10.092 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.558 -10.103 1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.682 -9.068 0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.456 -10.641 -0.065 1.00 0.00 H new ATOM 1211 N ASN A 89 4.901 -6.489 -2.388 1.00 0.00 N ATOM 1212 CA ASN A 89 5.258 -5.529 -3.423 1.00 0.00 C ATOM 1213 C ASN A 89 6.456 -6.032 -4.229 1.00 0.00 C ATOM 1214 O ASN A 89 6.654 -5.647 -5.376 1.00 0.00 O ATOM 1215 CB ASN A 89 5.540 -4.150 -2.813 1.00 0.00 C ATOM 1216 CG ASN A 89 6.825 -4.100 -2.009 1.00 0.00 C ATOM 1217 OD1 ASN A 89 7.583 -5.065 -1.961 1.00 0.00 O ATOM 1218 ND2 ASN A 89 7.071 -2.964 -1.367 1.00 0.00 N ATOM 0 H ASN A 89 4.950 -6.127 -1.436 1.00 0.00 H new ATOM 0 HA ASN A 89 4.413 -5.424 -4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.591 -3.411 -3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.706 -3.868 -2.170 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.918 -2.868 -0.806 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.413 -2.187 -1.435 1.00 0.00 H new