USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 371 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 104 HIS : no HD1:sc= -3.65! C(o=-4.3!,f=-8.1!) USER MOD Set 1.2: A 127 THR OG1 : rot 150:sc= 0.027 USER MOD Set 1.3: A 173 ASN : amide:sc= -0.702 K(o=-4.3,f=-10!) USER MOD Set 2.1: A 105 GLN : amide:sc= 0 X(o=-0.7,f=-0.47) USER MOD Set 2.2: A 116 SER OG : rot 38:sc= -0.698 USER MOD Single : A 100 MET CE :methyl -155:sc= -0.136 (180deg=-0.695) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.3) USER MOD Single : A 122 SER OG : rot 35:sc= 0.756 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -0.874 K(o=-0.87,f=-0.029) USER MOD Single : A 128 THR OG1 : rot -38:sc= 1.05 USER MOD Single : A 130 THR OG1 : rot 41:sc= 0.576 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 158:sc= -0.0601 (180deg=-0.762) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 HIS : no HD1:sc= -0.355 X(o=-0.35,f=0.0044) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 168 GLN : amide:sc= 0.436 K(o=0.44,f=-3.9!) USER MOD Single : A 169 THR OG1 : rot 180:sc= -1.72 USER MOD Single : A 170 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 174 HIS : no HD1:sc= -1.76 X(o=-1.8,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 0.497 -0.993 -0.667 1.00 0.00 N ATOM 2 CA MET A 100 1.750 -1.540 -1.175 1.00 0.00 C ATOM 3 C MET A 100 1.494 -2.750 -2.067 1.00 0.00 C ATOM 4 O MET A 100 1.545 -3.892 -1.608 1.00 0.00 O ATOM 5 CB MET A 100 2.668 -1.931 -0.015 1.00 0.00 C ATOM 6 CG MET A 100 3.309 -0.741 0.681 1.00 0.00 C ATOM 7 SD MET A 100 3.842 -1.124 2.361 1.00 0.00 S ATOM 8 CE MET A 100 2.262 -1.326 3.180 1.00 0.00 C ATOM 0 HA MET A 100 2.238 -0.769 -1.771 1.00 0.00 H new ATOM 0 HB2 MET A 100 2.094 -2.502 0.715 1.00 0.00 H new ATOM 0 HB3 MET A 100 3.453 -2.589 -0.389 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.167 -0.404 0.100 1.00 0.00 H new ATOM 0 HG3 MET A 100 2.598 0.085 0.709 1.00 0.00 H new ATOM 0 HE1 MET A 100 2.376 -1.125 4.245 1.00 0.00 H new ATOM 0 HE2 MET A 100 1.540 -0.629 2.754 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.907 -2.347 3.039 1.00 0.00 H new ATOM 18 N ILE A 101 1.218 -2.493 -3.341 1.00 0.00 N ATOM 19 CA ILE A 101 0.955 -3.563 -4.296 1.00 0.00 C ATOM 20 C ILE A 101 1.652 -3.296 -5.625 1.00 0.00 C ATOM 21 O ILE A 101 2.003 -2.158 -5.936 1.00 0.00 O ATOM 22 CB ILE A 101 -0.555 -3.735 -4.545 1.00 0.00 C ATOM 23 CG1 ILE A 101 -1.030 -2.760 -5.624 1.00 0.00 C ATOM 24 CG2 ILE A 101 -1.332 -3.527 -3.254 1.00 0.00 C ATOM 25 CD1 ILE A 101 -2.513 -2.468 -5.563 1.00 0.00 C ATOM 0 H ILE A 101 1.171 -1.554 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 101 1.350 -4.481 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.738 -4.751 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.479 -1.825 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.789 -3.170 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.398 -3.652 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.009 -4.258 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.147 -2.522 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.779 -1.770 -6.357 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.072 -3.395 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.758 -2.029 -4.596 1.00 0.00 H new ATOM 37 N TRP A 102 1.847 -4.352 -6.407 1.00 0.00 N ATOM 38 CA TRP A 102 2.500 -4.231 -7.705 1.00 0.00 C ATOM 39 C TRP A 102 1.491 -3.873 -8.791 1.00 0.00 C ATOM 40 O TRP A 102 0.377 -4.397 -8.814 1.00 0.00 O ATOM 41 CB TRP A 102 3.213 -5.536 -8.064 1.00 0.00 C ATOM 42 CG TRP A 102 4.278 -5.921 -7.083 1.00 0.00 C ATOM 43 CD1 TRP A 102 4.096 -6.320 -5.790 1.00 0.00 C ATOM 44 CD2 TRP A 102 5.691 -5.939 -7.316 1.00 0.00 C ATOM 45 NE1 TRP A 102 5.311 -6.586 -5.205 1.00 0.00 N ATOM 46 CE2 TRP A 102 6.305 -6.361 -6.120 1.00 0.00 C ATOM 47 CE3 TRP A 102 6.497 -5.642 -8.418 1.00 0.00 C ATOM 48 CZ2 TRP A 102 7.686 -6.491 -5.998 1.00 0.00 C ATOM 49 CZ3 TRP A 102 7.867 -5.772 -8.295 1.00 0.00 C ATOM 50 CH2 TRP A 102 8.450 -6.194 -7.093 1.00 0.00 C ATOM 0 H TRP A 102 1.562 -5.301 -6.165 1.00 0.00 H new ATOM 0 HA TRP A 102 3.236 -3.429 -7.640 1.00 0.00 H new ATOM 0 HB2 TRP A 102 2.478 -6.338 -8.124 1.00 0.00 H new ATOM 0 HB3 TRP A 102 3.659 -5.437 -9.054 1.00 0.00 H new ATOM 0 HD1 TRP A 102 3.138 -6.413 -5.299 1.00 0.00 H new ATOM 0 HE1 TRP A 102 5.450 -6.900 -4.245 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.057 -5.317 -9.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 8.138 -6.815 -5.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 8.500 -5.544 -9.140 1.00 0.00 H new ATOM 0 HH2 TRP A 102 9.524 -6.287 -7.030 1.00 0.00 H new ATOM 61 N CYS A 103 1.888 -2.978 -9.689 1.00 0.00 N ATOM 62 CA CYS A 103 1.018 -2.549 -10.778 1.00 0.00 C ATOM 63 C CYS A 103 1.825 -2.284 -12.046 1.00 0.00 C ATOM 64 O CYS A 103 3.056 -2.267 -12.020 1.00 0.00 O ATOM 65 CB CYS A 103 0.248 -1.289 -10.378 1.00 0.00 C ATOM 66 SG CYS A 103 -0.733 -1.470 -8.853 1.00 0.00 S ATOM 0 H CYS A 103 2.807 -2.535 -9.684 1.00 0.00 H new ATOM 0 HA CYS A 103 0.308 -3.351 -10.980 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.955 -0.470 -10.247 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.418 -1.008 -11.194 1.00 0.00 H new ATOM 71 N HIS A 104 1.122 -2.078 -13.155 1.00 0.00 N ATOM 72 CA HIS A 104 1.772 -1.813 -14.434 1.00 0.00 C ATOM 73 C HIS A 104 1.909 -0.313 -14.673 1.00 0.00 C ATOM 74 O HIS A 104 0.917 0.415 -14.688 1.00 0.00 O ATOM 75 CB HIS A 104 0.980 -2.453 -15.575 1.00 0.00 C ATOM 76 CG HIS A 104 1.088 -3.946 -15.616 1.00 0.00 C ATOM 77 ND1 HIS A 104 2.208 -4.607 -16.074 1.00 0.00 N ATOM 78 CD2 HIS A 104 0.208 -4.908 -15.251 1.00 0.00 C ATOM 79 CE1 HIS A 104 2.012 -5.911 -15.990 1.00 0.00 C ATOM 80 NE2 HIS A 104 0.806 -6.120 -15.493 1.00 0.00 N ATOM 0 H HIS A 104 0.103 -2.089 -13.194 1.00 0.00 H new ATOM 0 HA HIS A 104 2.770 -2.251 -14.404 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.070 -2.176 -15.478 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.331 -2.045 -16.523 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -0.780 -4.751 -14.845 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.718 -6.676 -16.279 1.00 0.00 H new ATOM 0 HE2 HIS A 104 0.387 -7.033 -15.318 1.00 0.00 H new ATOM 88 N GLN A 105 3.145 0.141 -14.858 1.00 0.00 N ATOM 89 CA GLN A 105 3.411 1.555 -15.095 1.00 0.00 C ATOM 90 C GLN A 105 3.934 1.782 -16.509 1.00 0.00 C ATOM 91 O GLN A 105 5.033 2.303 -16.700 1.00 0.00 O ATOM 92 CB GLN A 105 4.420 2.084 -14.074 1.00 0.00 C ATOM 93 CG GLN A 105 3.776 2.650 -12.819 1.00 0.00 C ATOM 94 CD GLN A 105 4.631 2.450 -11.583 1.00 0.00 C ATOM 95 OE1 GLN A 105 5.547 3.228 -11.315 1.00 0.00 O ATOM 96 NE2 GLN A 105 4.336 1.403 -10.822 1.00 0.00 N ATOM 0 H GLN A 105 3.977 -0.449 -14.848 1.00 0.00 H new ATOM 0 HA GLN A 105 2.473 2.098 -14.983 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.097 1.277 -13.793 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.026 2.859 -14.543 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.590 3.715 -12.959 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.807 2.175 -12.667 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.568 0.784 -11.082 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.877 1.218 -9.977 1.00 0.00 H new ATOM 105 N CYS A 106 3.141 1.386 -17.499 1.00 0.00 N ATOM 106 CA CYS A 106 3.524 1.545 -18.897 1.00 0.00 C ATOM 107 C CYS A 106 3.259 2.969 -19.375 1.00 0.00 C ATOM 108 O CYS A 106 2.302 3.614 -18.943 1.00 0.00 O ATOM 109 CB CYS A 106 2.758 0.551 -19.773 1.00 0.00 C ATOM 110 SG CYS A 106 3.044 0.761 -21.559 1.00 0.00 S ATOM 0 H CYS A 106 2.228 0.952 -17.359 1.00 0.00 H new ATOM 0 HA CYS A 106 4.592 1.345 -18.980 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.041 -0.462 -19.487 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.692 0.653 -19.572 1.00 0.00 H new ATOM 115 N THR A 107 4.113 3.456 -20.270 1.00 0.00 N ATOM 116 CA THR A 107 3.973 4.803 -20.806 1.00 0.00 C ATOM 117 C THR A 107 2.827 4.880 -21.807 1.00 0.00 C ATOM 118 O THR A 107 2.008 5.797 -21.759 1.00 0.00 O ATOM 119 CB THR A 107 5.271 5.273 -21.492 1.00 0.00 C ATOM 120 OG1 THR A 107 6.346 5.291 -20.546 1.00 0.00 O ATOM 121 CG2 THR A 107 5.094 6.659 -22.093 1.00 0.00 C ATOM 0 H THR A 107 4.909 2.936 -20.639 1.00 0.00 H new ATOM 0 HA THR A 107 3.759 5.458 -19.962 1.00 0.00 H new ATOM 0 HB THR A 107 5.506 4.574 -22.295 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.167 5.589 -20.990 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.023 6.969 -22.571 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.295 6.635 -22.834 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.837 7.367 -21.305 1.00 0.00 H new ATOM 129 N GLY A 108 2.773 3.910 -22.715 1.00 0.00 N ATOM 130 CA GLY A 108 1.721 3.886 -23.715 1.00 0.00 C ATOM 131 C GLY A 108 2.169 3.244 -25.013 1.00 0.00 C ATOM 132 O GLY A 108 2.873 2.234 -25.003 1.00 0.00 O ATOM 0 H GLY A 108 3.439 3.140 -22.776 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.862 3.342 -23.322 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.389 4.905 -23.913 1.00 0.00 H new ATOM 136 N PHE A 109 1.760 3.830 -26.133 1.00 0.00 N ATOM 137 CA PHE A 109 2.121 3.307 -27.445 1.00 0.00 C ATOM 138 C PHE A 109 1.487 1.939 -27.679 1.00 0.00 C ATOM 139 O PHE A 109 2.184 0.945 -27.879 1.00 0.00 O ATOM 140 CB PHE A 109 3.642 3.205 -27.576 1.00 0.00 C ATOM 141 CG PHE A 109 4.367 4.436 -27.112 1.00 0.00 C ATOM 142 CD1 PHE A 109 4.481 5.542 -27.939 1.00 0.00 C ATOM 143 CD2 PHE A 109 4.936 4.487 -25.849 1.00 0.00 C ATOM 144 CE1 PHE A 109 5.148 6.676 -27.515 1.00 0.00 C ATOM 145 CE2 PHE A 109 5.603 5.618 -25.420 1.00 0.00 C ATOM 146 CZ PHE A 109 5.710 6.714 -26.254 1.00 0.00 C ATOM 0 H PHE A 109 1.178 4.667 -26.158 1.00 0.00 H new ATOM 0 HA PHE A 109 1.743 3.997 -28.200 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.992 2.348 -27.000 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.897 3.014 -28.618 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.044 5.518 -28.926 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.857 3.633 -25.193 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.230 7.531 -28.169 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.041 5.645 -24.433 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.232 7.599 -25.921 1.00 0.00 H new ATOM 156 N GLY A 110 0.158 1.897 -27.652 1.00 0.00 N ATOM 157 CA GLY A 110 -0.549 0.647 -27.861 1.00 0.00 C ATOM 158 C GLY A 110 -0.957 -0.014 -26.560 1.00 0.00 C ATOM 159 O GLY A 110 -1.823 -0.888 -26.543 1.00 0.00 O ATOM 0 H GLY A 110 -0.441 2.706 -27.489 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.437 0.832 -28.465 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.085 -0.035 -28.428 1.00 0.00 H new ATOM 163 N GLY A 111 -0.329 0.403 -25.464 1.00 0.00 N ATOM 164 CA GLY A 111 -0.644 -0.167 -24.167 1.00 0.00 C ATOM 165 C GLY A 111 0.312 -1.274 -23.772 1.00 0.00 C ATOM 166 O GLY A 111 -0.112 -2.371 -23.406 1.00 0.00 O ATOM 0 H GLY A 111 0.392 1.125 -25.452 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.617 0.619 -23.412 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.661 -0.558 -24.183 1.00 0.00 H new ATOM 170 N CYS A 112 1.608 -0.989 -23.847 1.00 0.00 N ATOM 171 CA CYS A 112 2.629 -1.970 -23.498 1.00 0.00 C ATOM 172 C CYS A 112 2.430 -2.478 -22.073 1.00 0.00 C ATOM 173 O CYS A 112 1.487 -2.082 -21.388 1.00 0.00 O ATOM 174 CB CYS A 112 4.024 -1.359 -23.643 1.00 0.00 C ATOM 175 SG CYS A 112 4.500 -0.259 -22.271 1.00 0.00 S ATOM 0 H CYS A 112 1.976 -0.086 -24.147 1.00 0.00 H new ATOM 0 HA CYS A 112 2.536 -2.813 -24.182 1.00 0.00 H new ATOM 0 HB2 CYS A 112 4.755 -2.164 -23.720 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.068 -0.798 -24.576 1.00 0.00 H new ATOM 180 N SER A 113 3.325 -3.356 -21.633 1.00 0.00 N ATOM 181 CA SER A 113 3.246 -3.921 -20.291 1.00 0.00 C ATOM 182 C SER A 113 4.551 -3.702 -19.532 1.00 0.00 C ATOM 183 O SER A 113 5.628 -3.648 -20.127 1.00 0.00 O ATOM 184 CB SER A 113 2.929 -5.416 -20.362 1.00 0.00 C ATOM 185 OG SER A 113 3.886 -6.104 -21.148 1.00 0.00 O ATOM 0 H SER A 113 4.113 -3.692 -22.186 1.00 0.00 H new ATOM 0 HA SER A 113 2.445 -3.412 -19.756 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.911 -5.835 -19.356 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.935 -5.560 -20.785 1.00 0.00 H new ATOM 0 HG SER A 113 3.662 -7.058 -21.176 1.00 0.00 H new ATOM 191 N HIS A 114 4.447 -3.577 -18.212 1.00 0.00 N ATOM 192 CA HIS A 114 5.619 -3.364 -17.370 1.00 0.00 C ATOM 193 C HIS A 114 5.251 -3.461 -15.893 1.00 0.00 C ATOM 194 O HIS A 114 4.862 -2.472 -15.273 1.00 0.00 O ATOM 195 CB HIS A 114 6.243 -2.000 -17.664 1.00 0.00 C ATOM 196 CG HIS A 114 7.339 -2.049 -18.683 1.00 0.00 C ATOM 197 ND1 HIS A 114 7.372 -1.233 -19.794 1.00 0.00 N ATOM 198 CD2 HIS A 114 8.448 -2.822 -18.753 1.00 0.00 C ATOM 199 CE1 HIS A 114 8.452 -1.503 -20.504 1.00 0.00 C ATOM 200 NE2 HIS A 114 9.123 -2.464 -19.894 1.00 0.00 N ATOM 0 H HIS A 114 3.564 -3.620 -17.703 1.00 0.00 H new ATOM 0 HA HIS A 114 6.346 -4.144 -17.597 1.00 0.00 H new ATOM 0 HB2 HIS A 114 5.465 -1.321 -18.012 1.00 0.00 H new ATOM 0 HB3 HIS A 114 6.638 -1.583 -16.738 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.746 -3.579 -18.043 1.00 0.00 H new ATOM 0 HE1 HIS A 114 8.738 -1.020 -21.427 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.999 -2.873 -20.218 1.00 0.00 H new ATOM 208 N GLY A 115 5.375 -4.662 -15.334 1.00 0.00 N ATOM 209 CA GLY A 115 5.051 -4.866 -13.935 1.00 0.00 C ATOM 210 C GLY A 115 6.063 -4.226 -13.005 1.00 0.00 C ATOM 211 O GLY A 115 7.219 -4.646 -12.952 1.00 0.00 O ATOM 0 H GLY A 115 5.694 -5.497 -15.826 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.063 -4.454 -13.730 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.999 -5.935 -13.730 1.00 0.00 H new ATOM 215 N SER A 116 5.629 -3.206 -12.272 1.00 0.00 N ATOM 216 CA SER A 116 6.508 -2.503 -11.344 1.00 0.00 C ATOM 217 C SER A 116 5.822 -2.298 -9.997 1.00 0.00 C ATOM 218 O SER A 116 4.612 -2.084 -9.930 1.00 0.00 O ATOM 219 CB SER A 116 6.925 -1.152 -11.928 1.00 0.00 C ATOM 220 OG SER A 116 5.855 -0.551 -12.638 1.00 0.00 O ATOM 0 H SER A 116 4.674 -2.848 -12.302 1.00 0.00 H new ATOM 0 HA SER A 116 7.397 -3.114 -11.190 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.250 -0.490 -11.125 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.777 -1.288 -12.594 1.00 0.00 H new ATOM 0 HG SER A 116 5.012 -0.728 -12.171 1.00 0.00 H new ATOM 226 N ARG A 117 6.606 -2.364 -8.925 1.00 0.00 N ATOM 227 CA ARG A 117 6.075 -2.187 -7.579 1.00 0.00 C ATOM 228 C ARG A 117 5.786 -0.715 -7.298 1.00 0.00 C ATOM 229 O ARG A 117 6.613 0.155 -7.574 1.00 0.00 O ATOM 230 CB ARG A 117 7.061 -2.731 -6.544 1.00 0.00 C ATOM 231 CG ARG A 117 6.881 -2.133 -5.158 1.00 0.00 C ATOM 232 CD ARG A 117 7.808 -2.786 -4.144 1.00 0.00 C ATOM 233 NE ARG A 117 8.102 -1.900 -3.021 1.00 0.00 N ATOM 234 CZ ARG A 117 9.111 -2.092 -2.179 1.00 0.00 C ATOM 235 NH1 ARG A 117 9.918 -3.133 -2.332 1.00 0.00 N ATOM 236 NH2 ARG A 117 9.314 -1.242 -1.181 1.00 0.00 N ATOM 0 H ARG A 117 7.610 -2.539 -8.963 1.00 0.00 H new ATOM 0 HA ARG A 117 5.140 -2.743 -7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 117 6.948 -3.813 -6.481 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.078 -2.536 -6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.077 -1.061 -5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.846 -2.257 -4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.350 -3.703 -3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.739 -3.071 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 117 7.500 -1.090 -2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.765 -3.789 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.692 -3.278 -1.684 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.695 -0.440 -1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.089 -1.390 -0.535 1.00 0.00 H new ATOM 250 N CYS A 118 4.608 -0.444 -6.747 1.00 0.00 N ATOM 251 CA CYS A 118 4.208 0.922 -6.430 1.00 0.00 C ATOM 252 C CYS A 118 4.923 1.420 -5.177 1.00 0.00 C ATOM 253 O CYS A 118 5.685 0.684 -4.549 1.00 0.00 O ATOM 254 CB CYS A 118 2.693 0.998 -6.230 1.00 0.00 C ATOM 255 SG CYS A 118 1.724 0.396 -7.650 1.00 0.00 S ATOM 0 H CYS A 118 3.913 -1.152 -6.511 1.00 0.00 H new ATOM 0 HA CYS A 118 4.490 1.561 -7.267 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.424 0.417 -5.348 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.416 2.032 -6.027 1.00 0.00 H new ATOM 260 N LEU A 119 4.673 2.675 -4.820 1.00 0.00 N ATOM 261 CA LEU A 119 5.292 3.273 -3.642 1.00 0.00 C ATOM 262 C LEU A 119 4.514 2.918 -2.379 1.00 0.00 C ATOM 263 O LEU A 119 3.316 2.640 -2.433 1.00 0.00 O ATOM 264 CB LEU A 119 5.368 4.793 -3.798 1.00 0.00 C ATOM 265 CG LEU A 119 6.657 5.341 -4.411 1.00 0.00 C ATOM 266 CD1 LEU A 119 7.233 4.354 -5.414 1.00 0.00 C ATOM 267 CD2 LEU A 119 6.403 6.688 -5.072 1.00 0.00 C ATOM 0 H LEU A 119 4.046 3.298 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 119 6.302 2.873 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.530 5.117 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 119 5.235 5.246 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 119 7.385 5.482 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.150 4.761 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.453 3.412 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 119 6.509 4.180 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.331 7.063 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 119 5.658 6.572 -5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 119 6.037 7.395 -4.328 1.00 0.00 H new ATOM 279 N ARG A 120 5.204 2.933 -1.242 1.00 0.00 N ATOM 280 CA ARG A 120 4.578 2.613 0.035 1.00 0.00 C ATOM 281 C ARG A 120 3.284 3.401 0.218 1.00 0.00 C ATOM 282 O ARG A 120 2.316 2.901 0.792 1.00 0.00 O ATOM 283 CB ARG A 120 5.538 2.914 1.187 1.00 0.00 C ATOM 284 CG ARG A 120 4.996 2.518 2.551 1.00 0.00 C ATOM 285 CD ARG A 120 5.819 3.127 3.675 1.00 0.00 C ATOM 286 NE ARG A 120 5.711 4.584 3.705 1.00 0.00 N ATOM 287 CZ ARG A 120 6.564 5.370 4.351 1.00 0.00 C ATOM 288 NH1 ARG A 120 7.582 4.844 5.018 1.00 0.00 N ATOM 289 NH2 ARG A 120 6.400 6.687 4.331 1.00 0.00 N ATOM 0 H ARG A 120 6.196 3.163 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 120 4.339 1.549 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.477 2.389 1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.764 3.980 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.959 2.843 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.999 1.432 2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.487 2.719 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.864 2.843 3.554 1.00 0.00 H new ATOM 0 HE ARG A 120 4.938 5.021 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.712 3.832 5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.235 5.451 5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 120 5.618 7.096 3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 120 7.056 7.290 4.828 1.00 0.00 H new ATOM 303 N ASP A 121 3.275 4.636 -0.271 1.00 0.00 N ATOM 304 CA ASP A 121 2.101 5.494 -0.162 1.00 0.00 C ATOM 305 C ASP A 121 0.956 4.959 -1.017 1.00 0.00 C ATOM 306 O ASP A 121 -0.184 4.870 -0.560 1.00 0.00 O ATOM 307 CB ASP A 121 2.445 6.923 -0.585 1.00 0.00 C ATOM 308 CG ASP A 121 3.276 6.967 -1.853 1.00 0.00 C ATOM 309 OD1 ASP A 121 2.692 6.840 -2.949 1.00 0.00 O ATOM 310 OD2 ASP A 121 4.510 7.127 -1.748 1.00 0.00 O ATOM 0 H ASP A 121 4.068 5.066 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 121 1.781 5.499 0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.524 7.485 -0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.990 7.416 0.220 1.00 0.00 H new ATOM 315 N SER A 122 1.267 4.605 -2.259 1.00 0.00 N ATOM 316 CA SER A 122 0.264 4.083 -3.180 1.00 0.00 C ATOM 317 C SER A 122 -0.167 2.677 -2.774 1.00 0.00 C ATOM 318 O SER A 122 0.666 1.825 -2.463 1.00 0.00 O ATOM 319 CB SER A 122 0.809 4.070 -4.609 1.00 0.00 C ATOM 320 OG SER A 122 2.214 3.882 -4.617 1.00 0.00 O ATOM 0 H SER A 122 2.206 4.670 -2.651 1.00 0.00 H new ATOM 0 HA SER A 122 -0.607 4.737 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.329 3.273 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.562 5.009 -5.105 1.00 0.00 H new ATOM 0 HG SER A 122 2.468 3.285 -3.883 1.00 0.00 H new ATOM 326 N THR A 123 -1.475 2.440 -2.781 1.00 0.00 N ATOM 327 CA THR A 123 -2.018 1.138 -2.413 1.00 0.00 C ATOM 328 C THR A 123 -3.114 0.707 -3.380 1.00 0.00 C ATOM 329 O THR A 123 -3.788 -0.301 -3.161 1.00 0.00 O ATOM 330 CB THR A 123 -2.587 1.151 -0.982 1.00 0.00 C ATOM 331 OG1 THR A 123 -1.717 1.888 -0.115 1.00 0.00 O ATOM 332 CG2 THR A 123 -2.756 -0.266 -0.454 1.00 0.00 C ATOM 0 H THR A 123 -2.178 3.133 -3.038 1.00 0.00 H new ATOM 0 HA THR A 123 -1.194 0.426 -2.462 1.00 0.00 H new ATOM 0 HB THR A 123 -3.565 1.631 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 123 -2.087 1.893 0.793 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.159 -0.231 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.442 -0.815 -1.099 1.00 0.00 H new ATOM 0 HG23 THR A 123 -1.788 -0.768 -0.442 1.00 0.00 H new ATOM 340 N HIS A 124 -3.288 1.475 -4.451 1.00 0.00 N ATOM 341 CA HIS A 124 -4.303 1.170 -5.453 1.00 0.00 C ATOM 342 C HIS A 124 -3.715 1.235 -6.860 1.00 0.00 C ATOM 343 O HIS A 124 -2.757 1.966 -7.110 1.00 0.00 O ATOM 344 CB HIS A 124 -5.476 2.143 -5.334 1.00 0.00 C ATOM 345 CG HIS A 124 -6.002 2.278 -3.938 1.00 0.00 C ATOM 346 ND1 HIS A 124 -7.224 1.777 -3.542 1.00 0.00 N ATOM 347 CD2 HIS A 124 -5.464 2.862 -2.841 1.00 0.00 C ATOM 348 CE1 HIS A 124 -7.415 2.047 -2.263 1.00 0.00 C ATOM 349 NE2 HIS A 124 -6.361 2.705 -1.814 1.00 0.00 N ATOM 0 H HIS A 124 -2.740 2.312 -4.647 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.661 0.156 -5.274 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.162 3.124 -5.692 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -6.282 1.809 -5.987 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -4.507 3.359 -2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -8.285 1.776 -1.683 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -6.234 3.042 -0.859 1.00 0.00 H new ATOM 357 N CYS A 125 -4.294 0.464 -7.774 1.00 0.00 N ATOM 358 CA CYS A 125 -3.827 0.432 -9.155 1.00 0.00 C ATOM 359 C CYS A 125 -4.680 1.338 -10.038 1.00 0.00 C ATOM 360 O CYS A 125 -5.907 1.232 -10.054 1.00 0.00 O ATOM 361 CB CYS A 125 -3.858 -1.000 -9.693 1.00 0.00 C ATOM 362 SG CYS A 125 -2.422 -2.009 -9.204 1.00 0.00 S ATOM 0 H CYS A 125 -5.088 -0.147 -7.583 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.800 0.797 -9.174 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -4.768 -1.488 -9.344 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -3.912 -0.967 -10.781 1.00 0.00 H new ATOM 367 N VAL A 126 -4.022 2.228 -10.774 1.00 0.00 N ATOM 368 CA VAL A 126 -4.718 3.151 -11.662 1.00 0.00 C ATOM 369 C VAL A 126 -4.364 2.884 -13.120 1.00 0.00 C ATOM 370 O VAL A 126 -3.236 2.503 -13.438 1.00 0.00 O ATOM 371 CB VAL A 126 -4.383 4.616 -11.324 1.00 0.00 C ATOM 372 CG1 VAL A 126 -5.242 5.564 -12.145 1.00 0.00 C ATOM 373 CG2 VAL A 126 -4.564 4.873 -9.835 1.00 0.00 C ATOM 0 H VAL A 126 -3.007 2.329 -10.773 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.785 2.987 -11.515 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.339 4.800 -11.578 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.991 6.594 -11.892 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -5.058 5.396 -13.206 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.294 5.383 -11.926 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.323 5.913 -9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.598 4.672 -9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.901 4.218 -9.270 1.00 0.00 H new ATOM 383 N THR A 127 -5.334 3.086 -14.006 1.00 0.00 N ATOM 384 CA THR A 127 -5.126 2.867 -15.432 1.00 0.00 C ATOM 385 C THR A 127 -5.846 3.924 -16.262 1.00 0.00 C ATOM 386 O THR A 127 -7.013 4.233 -16.017 1.00 0.00 O ATOM 387 CB THR A 127 -5.615 1.471 -15.863 1.00 0.00 C ATOM 388 OG1 THR A 127 -4.998 0.464 -15.053 1.00 0.00 O ATOM 389 CG2 THR A 127 -5.297 1.215 -17.328 1.00 0.00 C ATOM 0 H THR A 127 -6.273 3.401 -13.761 1.00 0.00 H new ATOM 0 HA THR A 127 -4.053 2.939 -15.609 1.00 0.00 H new ATOM 0 HB THR A 127 -6.696 1.432 -15.730 1.00 0.00 H new ATOM 0 HG1 THR A 127 -5.602 -0.303 -14.968 1.00 0.00 H new ATOM 0 HG21 THR A 127 -5.652 0.223 -17.609 1.00 0.00 H new ATOM 0 HG22 THR A 127 -5.792 1.966 -17.944 1.00 0.00 H new ATOM 0 HG23 THR A 127 -4.219 1.272 -17.482 1.00 0.00 H new ATOM 397 N THR A 128 -5.144 4.476 -17.247 1.00 0.00 N ATOM 398 CA THR A 128 -5.716 5.499 -18.113 1.00 0.00 C ATOM 399 C THR A 128 -5.195 5.366 -19.539 1.00 0.00 C ATOM 400 O THR A 128 -4.220 4.657 -19.790 1.00 0.00 O ATOM 401 CB THR A 128 -5.402 6.914 -17.594 1.00 0.00 C ATOM 402 OG1 THR A 128 -4.058 7.274 -17.933 1.00 0.00 O ATOM 403 CG2 THR A 128 -5.588 6.991 -16.086 1.00 0.00 C ATOM 0 H THR A 128 -4.178 4.231 -17.465 1.00 0.00 H new ATOM 0 HA THR A 128 -6.796 5.350 -18.108 1.00 0.00 H new ATOM 0 HB THR A 128 -6.094 7.612 -18.066 1.00 0.00 H new ATOM 0 HG1 THR A 128 -3.476 6.491 -17.841 1.00 0.00 H new ATOM 0 HG21 THR A 128 -5.360 8.000 -15.742 1.00 0.00 H new ATOM 0 HG22 THR A 128 -6.620 6.746 -15.834 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.917 6.282 -15.600 1.00 0.00 H new ATOM 411 N ALA A 129 -5.850 6.052 -20.470 1.00 0.00 N ATOM 412 CA ALA A 129 -5.450 6.012 -21.871 1.00 0.00 C ATOM 413 C ALA A 129 -6.238 7.025 -22.695 1.00 0.00 C ATOM 414 O ALA A 129 -7.089 7.742 -22.169 1.00 0.00 O ATOM 415 CB ALA A 129 -5.637 4.611 -22.434 1.00 0.00 C ATOM 0 H ALA A 129 -6.660 6.642 -20.279 1.00 0.00 H new ATOM 0 HA ALA A 129 -4.394 6.277 -21.930 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.334 4.596 -23.481 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.025 3.907 -21.869 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.686 4.324 -22.355 1.00 0.00 H new ATOM 421 N THR A 130 -5.948 7.079 -23.992 1.00 0.00 N ATOM 422 CA THR A 130 -6.627 8.006 -24.889 1.00 0.00 C ATOM 423 C THR A 130 -6.905 7.358 -26.241 1.00 0.00 C ATOM 424 O THR A 130 -5.990 7.143 -27.036 1.00 0.00 O ATOM 425 CB THR A 130 -5.800 9.287 -25.106 1.00 0.00 C ATOM 426 OG1 THR A 130 -4.611 8.983 -25.845 1.00 0.00 O ATOM 427 CG2 THR A 130 -5.427 9.922 -23.775 1.00 0.00 C ATOM 0 H THR A 130 -5.247 6.491 -24.444 1.00 0.00 H new ATOM 0 HA THR A 130 -7.572 8.270 -24.414 1.00 0.00 H new ATOM 0 HB THR A 130 -6.408 9.994 -25.671 1.00 0.00 H new ATOM 0 HG1 THR A 130 -4.824 8.348 -26.560 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.843 10.825 -23.954 1.00 0.00 H new ATOM 0 HG22 THR A 130 -6.334 10.178 -23.227 1.00 0.00 H new ATOM 0 HG23 THR A 130 -4.836 9.218 -23.189 1.00 0.00 H new ATOM 579 N PRO A 140 -2.777 4.788 -30.285 1.00 0.00 N ATOM 580 CA PRO A 140 -3.382 5.430 -29.114 1.00 0.00 C ATOM 581 C PRO A 140 -2.421 5.503 -27.932 1.00 0.00 C ATOM 582 O PRO A 140 -1.390 4.829 -27.914 1.00 0.00 O ATOM 583 CB PRO A 140 -4.567 4.520 -28.783 1.00 0.00 C ATOM 584 CG PRO A 140 -4.188 3.188 -29.333 1.00 0.00 C ATOM 585 CD PRO A 140 -3.365 3.466 -30.560 1.00 0.00 C ATOM 0 HA PRO A 140 -3.664 6.463 -29.316 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -4.739 4.470 -27.708 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -5.487 4.888 -29.236 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -3.619 2.612 -28.603 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -5.073 2.602 -29.581 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -2.596 2.708 -30.708 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -3.979 3.479 -31.461 1.00 0.00 H new ATOM 593 N LEU A 141 -2.764 6.325 -26.947 1.00 0.00 N ATOM 594 CA LEU A 141 -1.932 6.487 -25.760 1.00 0.00 C ATOM 595 C LEU A 141 -2.490 5.683 -24.590 1.00 0.00 C ATOM 596 O LEU A 141 -3.705 5.563 -24.429 1.00 0.00 O ATOM 597 CB LEU A 141 -1.835 7.965 -25.377 1.00 0.00 C ATOM 598 CG LEU A 141 -0.531 8.401 -24.708 1.00 0.00 C ATOM 599 CD1 LEU A 141 -0.436 7.831 -23.301 1.00 0.00 C ATOM 600 CD2 LEU A 141 0.667 7.969 -25.542 1.00 0.00 C ATOM 0 H LEU A 141 -3.613 6.890 -26.947 1.00 0.00 H new ATOM 0 HA LEU A 141 -0.935 6.112 -25.993 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -1.976 8.563 -26.277 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.661 8.201 -24.706 1.00 0.00 H new ATOM 0 HG LEU A 141 -0.527 9.489 -24.638 1.00 0.00 H new ATOM 0 HD11 LEU A 141 0.498 8.152 -22.841 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -1.276 8.190 -22.706 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -0.463 6.742 -23.347 1.00 0.00 H new ATOM 0 HD21 LEU A 141 1.586 8.288 -25.051 1.00 0.00 H new ATOM 0 HD22 LEU A 141 0.667 6.884 -25.644 1.00 0.00 H new ATOM 0 HD23 LEU A 141 0.606 8.426 -26.530 1.00 0.00 H new ATOM 612 N VAL A 142 -1.595 5.135 -23.774 1.00 0.00 N ATOM 613 CA VAL A 142 -1.998 4.345 -22.617 1.00 0.00 C ATOM 614 C VAL A 142 -1.076 4.599 -21.430 1.00 0.00 C ATOM 615 O VAL A 142 0.066 4.138 -21.406 1.00 0.00 O ATOM 616 CB VAL A 142 -2.000 2.839 -22.938 1.00 0.00 C ATOM 617 CG1 VAL A 142 -2.574 2.045 -21.775 1.00 0.00 C ATOM 618 CG2 VAL A 142 -2.781 2.568 -24.216 1.00 0.00 C ATOM 0 H VAL A 142 -0.586 5.224 -23.893 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.011 4.655 -22.360 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.970 2.517 -23.093 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -2.567 0.983 -22.021 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.969 2.215 -20.884 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -3.598 2.367 -21.585 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.772 1.499 -24.428 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -3.810 2.905 -24.092 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.321 3.106 -25.045 1.00 0.00 H new ATOM 628 N THR A 143 -1.578 5.335 -20.443 1.00 0.00 N ATOM 629 CA THR A 143 -0.800 5.651 -19.253 1.00 0.00 C ATOM 630 C THR A 143 -1.346 4.924 -18.029 1.00 0.00 C ATOM 631 O THR A 143 -2.539 4.994 -17.734 1.00 0.00 O ATOM 632 CB THR A 143 -0.790 7.166 -18.974 1.00 0.00 C ATOM 633 OG1 THR A 143 -0.191 7.862 -20.072 1.00 0.00 O ATOM 634 CG2 THR A 143 -0.028 7.476 -17.694 1.00 0.00 C ATOM 0 H THR A 143 -2.521 5.723 -20.445 1.00 0.00 H new ATOM 0 HA THR A 143 0.220 5.318 -19.445 1.00 0.00 H new ATOM 0 HB THR A 143 -1.821 7.498 -18.853 1.00 0.00 H new ATOM 0 HG1 THR A 143 -0.190 8.825 -19.888 1.00 0.00 H new ATOM 0 HG21 THR A 143 -0.035 8.552 -17.518 1.00 0.00 H new ATOM 0 HG22 THR A 143 -0.504 6.968 -16.855 1.00 0.00 H new ATOM 0 HG23 THR A 143 1.001 7.131 -17.791 1.00 0.00 H new ATOM 642 N LYS A 144 -0.466 4.227 -17.319 1.00 0.00 N ATOM 643 CA LYS A 144 -0.859 3.488 -16.125 1.00 0.00 C ATOM 644 C LYS A 144 0.089 3.782 -14.967 1.00 0.00 C ATOM 645 O LYS A 144 1.281 4.009 -15.170 1.00 0.00 O ATOM 646 CB LYS A 144 -0.877 1.985 -16.414 1.00 0.00 C ATOM 647 CG LYS A 144 -2.066 1.540 -17.249 1.00 0.00 C ATOM 648 CD LYS A 144 -1.749 1.580 -18.734 1.00 0.00 C ATOM 649 CE LYS A 144 -0.852 0.422 -19.145 1.00 0.00 C ATOM 650 NZ LYS A 144 -1.530 -0.892 -18.972 1.00 0.00 N ATOM 0 H LYS A 144 0.525 4.158 -17.550 1.00 0.00 H new ATOM 0 HA LYS A 144 -1.861 3.810 -15.842 1.00 0.00 H new ATOM 0 HB2 LYS A 144 0.042 1.712 -16.932 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -0.884 1.442 -15.469 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.354 0.528 -16.964 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.920 2.184 -17.041 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -2.676 1.544 -19.306 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -1.261 2.524 -18.977 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -0.556 0.544 -20.187 1.00 0.00 H new ATOM 0 HE3 LYS A 144 0.061 0.441 -18.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -1.074 -1.601 -19.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -1.458 -1.192 -17.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -2.532 -0.803 -19.235 1.00 0.00 H new ATOM 664 N MET A 145 -0.450 3.775 -13.752 1.00 0.00 N ATOM 665 CA MET A 145 0.349 4.039 -12.561 1.00 0.00 C ATOM 666 C MET A 145 -0.407 3.638 -11.298 1.00 0.00 C ATOM 667 O MET A 145 -1.374 2.878 -11.357 1.00 0.00 O ATOM 668 CB MET A 145 0.730 5.519 -12.493 1.00 0.00 C ATOM 669 CG MET A 145 -0.441 6.433 -12.170 1.00 0.00 C ATOM 670 SD MET A 145 -1.437 6.826 -13.622 1.00 0.00 S ATOM 671 CE MET A 145 -2.006 8.473 -13.207 1.00 0.00 C ATOM 0 H MET A 145 -1.436 3.590 -13.567 1.00 0.00 H new ATOM 0 HA MET A 145 1.258 3.440 -12.625 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.504 5.652 -11.737 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.162 5.819 -13.448 1.00 0.00 H new ATOM 0 HG2 MET A 145 -1.072 5.957 -11.419 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.065 7.357 -11.731 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.636 8.853 -14.011 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.580 8.437 -12.281 1.00 0.00 H new ATOM 0 HE3 MET A 145 -1.148 9.132 -13.076 1.00 0.00 H new ATOM 681 N CYS A 146 0.038 4.154 -10.158 1.00 0.00 N ATOM 682 CA CYS A 146 -0.596 3.850 -8.881 1.00 0.00 C ATOM 683 C CYS A 146 -1.011 5.130 -8.161 1.00 0.00 C ATOM 684 O CYS A 146 -0.546 6.221 -8.493 1.00 0.00 O ATOM 685 CB CYS A 146 0.353 3.039 -7.996 1.00 0.00 C ATOM 686 SG CYS A 146 1.433 1.897 -8.917 1.00 0.00 S ATOM 0 H CYS A 146 0.836 4.786 -10.092 1.00 0.00 H new ATOM 0 HA CYS A 146 -1.490 3.259 -9.080 1.00 0.00 H new ATOM 0 HB2 CYS A 146 0.974 3.727 -7.422 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -0.236 2.467 -7.279 1.00 0.00 H new ATOM 691 N HIS A 147 -1.889 4.989 -7.173 1.00 0.00 N ATOM 692 CA HIS A 147 -2.366 6.133 -6.405 1.00 0.00 C ATOM 693 C HIS A 147 -3.076 5.676 -5.133 1.00 0.00 C ATOM 694 O HIS A 147 -3.457 4.512 -5.008 1.00 0.00 O ATOM 695 CB HIS A 147 -3.312 6.984 -7.252 1.00 0.00 C ATOM 696 CG HIS A 147 -3.271 8.443 -6.915 1.00 0.00 C ATOM 697 ND1 HIS A 147 -2.485 9.350 -7.593 1.00 0.00 N ATOM 698 CD2 HIS A 147 -3.925 9.150 -5.964 1.00 0.00 C ATOM 699 CE1 HIS A 147 -2.657 10.553 -7.074 1.00 0.00 C ATOM 700 NE2 HIS A 147 -3.526 10.459 -6.084 1.00 0.00 N ATOM 0 H HIS A 147 -2.284 4.094 -6.886 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.502 6.735 -6.122 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -3.059 6.856 -8.304 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -4.331 6.618 -7.122 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -4.629 8.758 -5.245 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -2.170 11.459 -7.403 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -3.849 11.233 -5.503 1.00 0.00 H new ATOM 708 N ILE A 148 -3.247 6.599 -4.194 1.00 0.00 N ATOM 709 CA ILE A 148 -3.911 6.291 -2.933 1.00 0.00 C ATOM 710 C ILE A 148 -5.403 6.596 -3.007 1.00 0.00 C ATOM 711 O ILE A 148 -5.937 7.339 -2.186 1.00 0.00 O ATOM 712 CB ILE A 148 -3.294 7.082 -1.764 1.00 0.00 C ATOM 713 CG1 ILE A 148 -1.775 7.168 -1.922 1.00 0.00 C ATOM 714 CG2 ILE A 148 -3.659 6.436 -0.436 1.00 0.00 C ATOM 715 CD1 ILE A 148 -1.085 7.864 -0.770 1.00 0.00 C ATOM 0 H ILE A 148 -2.935 7.566 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 148 -3.770 5.225 -2.755 1.00 0.00 H new ATOM 0 HB ILE A 148 -3.699 8.094 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.371 6.161 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -1.544 7.697 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -3.216 7.006 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -4.743 6.424 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -3.280 5.414 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -0.010 7.888 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.461 8.883 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -1.286 7.323 0.155 1.00 0.00 H new ATOM 727 N GLY A 149 -6.071 6.014 -3.999 1.00 0.00 N ATOM 728 CA GLY A 149 -7.497 6.234 -4.162 1.00 0.00 C ATOM 729 C GLY A 149 -7.912 6.285 -5.619 1.00 0.00 C ATOM 730 O GLY A 149 -9.098 6.184 -5.938 1.00 0.00 O ATOM 0 H GLY A 149 -5.651 5.395 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.044 5.437 -3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.776 7.169 -3.675 1.00 0.00 H new ATOM 734 N CYS A 150 -6.936 6.442 -6.506 1.00 0.00 N ATOM 735 CA CYS A 150 -7.206 6.508 -7.937 1.00 0.00 C ATOM 736 C CYS A 150 -8.294 7.535 -8.239 1.00 0.00 C ATOM 737 O CYS A 150 -9.470 7.203 -8.392 1.00 0.00 O ATOM 738 CB CYS A 150 -7.626 5.134 -8.462 1.00 0.00 C ATOM 739 SG CYS A 150 -8.015 5.105 -10.242 1.00 0.00 S ATOM 0 H CYS A 150 -5.950 6.526 -6.259 1.00 0.00 H new ATOM 0 HA CYS A 150 -6.290 6.817 -8.440 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -6.825 4.421 -8.264 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -8.499 4.795 -7.905 1.00 0.00 H new ATOM 917 N SER A 163 -10.537 7.931 -20.711 1.00 0.00 N ATOM 918 CA SER A 163 -10.250 6.535 -20.401 1.00 0.00 C ATOM 919 C SER A 163 -9.654 6.401 -19.003 1.00 0.00 C ATOM 920 O SER A 163 -8.524 6.822 -18.755 1.00 0.00 O ATOM 921 CB SER A 163 -9.288 5.948 -21.436 1.00 0.00 C ATOM 922 OG SER A 163 -9.522 4.563 -21.621 1.00 0.00 O ATOM 0 HA SER A 163 -11.188 5.981 -20.432 1.00 0.00 H new ATOM 0 HB2 SER A 163 -9.407 6.470 -22.385 1.00 0.00 H new ATOM 0 HB3 SER A 163 -8.259 6.106 -21.112 1.00 0.00 H new ATOM 0 HG SER A 163 -8.896 4.212 -22.288 1.00 0.00 H new ATOM 928 N ILE A 164 -10.422 5.811 -18.093 1.00 0.00 N ATOM 929 CA ILE A 164 -9.971 5.619 -16.721 1.00 0.00 C ATOM 930 C ILE A 164 -10.408 4.261 -16.183 1.00 0.00 C ATOM 931 O ILE A 164 -11.461 3.744 -16.556 1.00 0.00 O ATOM 932 CB ILE A 164 -10.508 6.724 -15.792 1.00 0.00 C ATOM 933 CG1 ILE A 164 -10.197 8.105 -16.373 1.00 0.00 C ATOM 934 CG2 ILE A 164 -9.911 6.582 -14.400 1.00 0.00 C ATOM 935 CD1 ILE A 164 -10.692 9.247 -15.514 1.00 0.00 C ATOM 0 H ILE A 164 -11.360 5.458 -18.282 1.00 0.00 H new ATOM 0 HA ILE A 164 -8.882 5.667 -16.737 1.00 0.00 H new ATOM 0 HB ILE A 164 -11.590 6.619 -15.714 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -9.119 8.201 -16.505 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -10.647 8.184 -17.363 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -10.300 7.370 -13.755 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -10.179 5.610 -13.987 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -8.826 6.665 -14.459 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -10.437 10.195 -15.987 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -11.774 9.176 -15.403 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -10.222 9.194 -14.532 1.00 0.00 H new ATOM 947 N ALA A 165 -9.594 3.689 -15.302 1.00 0.00 N ATOM 948 CA ALA A 165 -9.898 2.393 -14.709 1.00 0.00 C ATOM 949 C ALA A 165 -9.313 2.280 -13.305 1.00 0.00 C ATOM 950 O ALA A 165 -8.102 2.130 -13.137 1.00 0.00 O ATOM 951 CB ALA A 165 -9.374 1.272 -15.593 1.00 0.00 C ATOM 0 H ALA A 165 -8.718 4.103 -14.983 1.00 0.00 H new ATOM 0 HA ALA A 165 -10.981 2.303 -14.631 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -9.608 0.310 -15.138 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -9.844 1.333 -16.575 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -8.294 1.369 -15.701 1.00 0.00 H new ATOM 957 N CYS A 166 -10.178 2.355 -12.300 1.00 0.00 N ATOM 958 CA CYS A 166 -9.747 2.262 -10.911 1.00 0.00 C ATOM 959 C CYS A 166 -10.060 0.884 -10.335 1.00 0.00 C ATOM 960 O CYS A 166 -11.183 0.392 -10.448 1.00 0.00 O ATOM 961 CB CYS A 166 -10.428 3.345 -10.071 1.00 0.00 C ATOM 962 SG CYS A 166 -9.979 5.046 -10.544 1.00 0.00 S ATOM 0 H CYS A 166 -11.183 2.480 -12.422 1.00 0.00 H new ATOM 0 HA CYS A 166 -8.668 2.412 -10.880 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -11.509 3.229 -10.155 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -10.172 3.191 -9.023 1.00 0.00 H new ATOM 967 N CYS A 167 -9.060 0.267 -9.716 1.00 0.00 N ATOM 968 CA CYS A 167 -9.226 -1.054 -9.122 1.00 0.00 C ATOM 969 C CYS A 167 -8.145 -1.322 -8.079 1.00 0.00 C ATOM 970 O CYS A 167 -6.969 -1.038 -8.304 1.00 0.00 O ATOM 971 CB CYS A 167 -9.183 -2.133 -10.206 1.00 0.00 C ATOM 972 SG CYS A 167 -8.162 -1.695 -11.650 1.00 0.00 S ATOM 0 H CYS A 167 -8.125 0.661 -9.612 1.00 0.00 H new ATOM 0 HA CYS A 167 -10.197 -1.083 -8.628 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.800 -3.056 -9.770 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -10.200 -2.337 -10.542 1.00 0.00 H new ATOM 977 N GLN A 168 -8.553 -1.869 -6.939 1.00 0.00 N ATOM 978 CA GLN A 168 -7.620 -2.174 -5.861 1.00 0.00 C ATOM 979 C GLN A 168 -7.068 -3.589 -6.003 1.00 0.00 C ATOM 980 O GLN A 168 -7.002 -4.342 -5.030 1.00 0.00 O ATOM 981 CB GLN A 168 -8.305 -2.015 -4.503 1.00 0.00 C ATOM 982 CG GLN A 168 -9.495 -2.942 -4.310 1.00 0.00 C ATOM 983 CD GLN A 168 -10.799 -2.321 -4.768 1.00 0.00 C ATOM 984 OE1 GLN A 168 -11.173 -2.423 -5.937 1.00 0.00 O ATOM 985 NE2 GLN A 168 -11.501 -1.671 -3.846 1.00 0.00 N ATOM 0 H GLN A 168 -9.523 -2.110 -6.738 1.00 0.00 H new ATOM 0 HA GLN A 168 -6.789 -1.471 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -7.577 -2.203 -3.714 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.637 -0.983 -4.391 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -9.324 -3.866 -4.862 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -9.575 -3.210 -3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.154 -1.611 -2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.387 -1.232 -4.095 1.00 0.00 H new ATOM 994 N THR A 169 -6.674 -3.946 -7.221 1.00 0.00 N ATOM 995 CA THR A 169 -6.130 -5.271 -7.491 1.00 0.00 C ATOM 996 C THR A 169 -4.721 -5.180 -8.066 1.00 0.00 C ATOM 997 O THR A 169 -4.446 -4.349 -8.932 1.00 0.00 O ATOM 998 CB THR A 169 -7.022 -6.056 -8.471 1.00 0.00 C ATOM 999 OG1 THR A 169 -7.738 -5.149 -9.316 1.00 0.00 O ATOM 1000 CG2 THR A 169 -8.006 -6.938 -7.718 1.00 0.00 C ATOM 0 H THR A 169 -6.721 -3.336 -8.037 1.00 0.00 H new ATOM 0 HA THR A 169 -6.098 -5.799 -6.538 1.00 0.00 H new ATOM 0 HB THR A 169 -6.381 -6.692 -9.082 1.00 0.00 H new ATOM 0 HG1 THR A 169 -8.301 -5.656 -9.937 1.00 0.00 H new ATOM 0 HG21 THR A 169 -8.625 -7.483 -8.431 1.00 0.00 H new ATOM 0 HG22 THR A 169 -7.458 -7.647 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 169 -8.641 -6.317 -7.086 1.00 0.00 H new ATOM 1008 N SER A 170 -3.832 -6.040 -7.580 1.00 0.00 N ATOM 1009 CA SER A 170 -2.449 -6.055 -8.044 1.00 0.00 C ATOM 1010 C SER A 170 -2.387 -6.209 -9.561 1.00 0.00 C ATOM 1011 O SER A 170 -2.901 -7.179 -10.120 1.00 0.00 O ATOM 1012 CB SER A 170 -1.675 -7.191 -7.373 1.00 0.00 C ATOM 1013 OG SER A 170 -2.492 -8.337 -7.209 1.00 0.00 O ATOM 0 H SER A 170 -4.044 -6.736 -6.865 1.00 0.00 H new ATOM 0 HA SER A 170 -1.991 -5.104 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.802 -7.446 -7.974 1.00 0.00 H new ATOM 0 HB3 SER A 170 -1.307 -6.861 -6.402 1.00 0.00 H new ATOM 0 HG SER A 170 -1.974 -9.049 -6.780 1.00 0.00 H new ATOM 1019 N LEU A 171 -1.755 -5.246 -10.222 1.00 0.00 N ATOM 1020 CA LEU A 171 -1.624 -5.273 -11.674 1.00 0.00 C ATOM 1021 C LEU A 171 -2.989 -5.410 -12.341 1.00 0.00 C ATOM 1022 O LEU A 171 -3.181 -6.251 -13.220 1.00 0.00 O ATOM 1023 CB LEU A 171 -0.716 -6.427 -12.103 1.00 0.00 C ATOM 1024 CG LEU A 171 0.725 -6.370 -11.596 1.00 0.00 C ATOM 1025 CD1 LEU A 171 1.377 -7.741 -11.689 1.00 0.00 C ATOM 1026 CD2 LEU A 171 1.527 -5.342 -12.382 1.00 0.00 C ATOM 0 H LEU A 171 -1.325 -4.436 -9.775 1.00 0.00 H new ATOM 0 HA LEU A 171 -1.178 -4.331 -11.991 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -1.163 -7.361 -11.763 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.696 -6.462 -13.192 1.00 0.00 H new ATOM 0 HG LEU A 171 0.710 -6.067 -10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 171 2.402 -7.682 -11.324 1.00 0.00 H new ATOM 0 HD12 LEU A 171 0.816 -8.452 -11.083 1.00 0.00 H new ATOM 0 HD13 LEU A 171 1.380 -8.073 -12.727 1.00 0.00 H new ATOM 0 HD21 LEU A 171 2.550 -5.315 -12.007 1.00 0.00 H new ATOM 0 HD22 LEU A 171 1.534 -5.615 -13.437 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.072 -4.359 -12.265 1.00 0.00 H new ATOM 1038 N CYS A 172 -3.934 -4.577 -11.920 1.00 0.00 N ATOM 1039 CA CYS A 172 -5.282 -4.603 -12.476 1.00 0.00 C ATOM 1040 C CYS A 172 -5.338 -3.843 -13.799 1.00 0.00 C ATOM 1041 O CYS A 172 -6.410 -3.446 -14.253 1.00 0.00 O ATOM 1042 CB CYS A 172 -6.278 -3.998 -11.485 1.00 0.00 C ATOM 1043 SG CYS A 172 -6.311 -2.176 -11.482 1.00 0.00 S ATOM 0 H CYS A 172 -3.791 -3.874 -11.195 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.552 -5.643 -12.661 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -7.276 -4.368 -11.718 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -6.034 -4.348 -10.482 1.00 0.00 H new ATOM 1048 N ASN A 173 -4.175 -3.645 -14.411 1.00 0.00 N ATOM 1049 CA ASN A 173 -4.092 -2.933 -15.681 1.00 0.00 C ATOM 1050 C ASN A 173 -4.204 -3.900 -16.856 1.00 0.00 C ATOM 1051 O ASN A 173 -4.470 -3.493 -17.987 1.00 0.00 O ATOM 1052 CB ASN A 173 -2.777 -2.156 -15.769 1.00 0.00 C ATOM 1053 CG ASN A 173 -2.262 -1.736 -14.406 1.00 0.00 C ATOM 1054 OD1 ASN A 173 -1.807 -2.566 -13.619 1.00 0.00 O ATOM 1055 ND2 ASN A 173 -2.331 -0.441 -14.121 1.00 0.00 N ATOM 0 H ASN A 173 -3.278 -3.967 -14.048 1.00 0.00 H new ATOM 0 HA ASN A 173 -4.925 -2.232 -15.730 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -2.026 -2.772 -16.264 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -2.922 -1.271 -16.388 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -1.999 -0.099 -13.219 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -2.716 0.212 -14.804 1.00 0.00 H new ATOM 1062 N HIS A 174 -3.998 -5.184 -16.580 1.00 0.00 N ATOM 1063 CA HIS A 174 -4.076 -6.211 -17.613 1.00 0.00 C ATOM 1064 C HIS A 174 -5.523 -6.633 -17.850 1.00 0.00 C ATOM 1065 O HIS A 174 -6.449 -6.065 -17.271 1.00 0.00 O ATOM 1066 CB HIS A 174 -3.236 -7.426 -17.219 1.00 0.00 C ATOM 1067 CG HIS A 174 -3.583 -7.984 -15.873 1.00 0.00 C ATOM 1068 ND1 HIS A 174 -2.702 -8.728 -15.117 1.00 0.00 N ATOM 1069 CD2 HIS A 174 -4.723 -7.901 -15.148 1.00 0.00 C ATOM 1070 CE1 HIS A 174 -3.286 -9.080 -13.986 1.00 0.00 C ATOM 1071 NE2 HIS A 174 -4.513 -8.591 -13.979 1.00 0.00 N ATOM 0 H HIS A 174 -3.776 -5.538 -15.650 1.00 0.00 H new ATOM 0 HA HIS A 174 -3.682 -5.792 -18.539 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -3.365 -8.205 -17.970 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -2.182 -7.147 -17.227 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -5.629 -7.388 -15.435 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -2.836 -9.668 -13.200 1.00 0.00 H new ATOM 0 HE2 HIS A 174 -5.194 -8.707 -13.228 1.00 0.00 H new ATOM 1079 N ASP A 175 -5.710 -7.632 -18.705 1.00 0.00 N ATOM 1080 CA ASP A 175 -7.044 -8.131 -19.019 1.00 0.00 C ATOM 1081 C ASP A 175 -7.686 -8.774 -17.793 1.00 0.00 C ATOM 1082 O ASP A 175 -8.785 -8.396 -17.387 1.00 0.00 O ATOM 1083 CB ASP A 175 -6.977 -9.143 -20.164 1.00 0.00 C ATOM 1084 CG ASP A 175 -6.182 -10.381 -19.797 1.00 0.00 C ATOM 1085 OD1 ASP A 175 -6.667 -11.170 -18.959 1.00 0.00 O ATOM 1086 OD2 ASP A 175 -5.075 -10.561 -20.347 1.00 0.00 O ATOM 0 H ASP A 175 -4.954 -8.113 -19.193 1.00 0.00 H new ATOM 0 HA ASP A 175 -7.658 -7.285 -19.327 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -7.988 -9.435 -20.447 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -6.526 -8.671 -21.037 1.00 0.00 H new