USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 583 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 27 HIS :FLIP no HD1:sc= 0 F(o=-1.6,f=-0.97) USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= -0.971 USER MOD Set 2.1: A 48 THR OG1 : rot 127:sc= 0.911 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 8 MET CE :methyl -179:sc= 0 (180deg=-0.000863) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.023 (180deg=-0.247) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.256 F(o=-0.79,f=-0.26) USER MOD Single : A 26 MET CE :methyl 157:sc= -0.107 (180deg=-0.542) USER MOD Single : A 28 CYS SG : rot 24:sc= -0.91 USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= 0.151 (180deg=-0.311) USER MOD Single : A 33 GLN : amide:sc= -0.145 K(o=-0.14,f=-2.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.025 K(o=-0.025,f=-1.5) USER MOD Single : A 37 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.44) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -146:sc= -1.84 (180deg=-5.02!) USER MOD Single : A 66 ASN : amide:sc= -5.23! C(o=-5.2!,f=-13!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= -0.241 (180deg=-1.57!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -8.023 2.426 -10.234 1.00 0.00 N ATOM 67 CA MET A 8 -7.157 1.990 -9.144 1.00 0.00 C ATOM 68 C MET A 8 -7.980 1.436 -7.985 1.00 0.00 C ATOM 69 O MET A 8 -8.045 0.223 -7.783 1.00 0.00 O ATOM 70 CB MET A 8 -6.289 3.152 -8.658 1.00 0.00 C ATOM 71 CG MET A 8 -4.934 3.226 -9.343 1.00 0.00 C ATOM 72 SD MET A 8 -4.310 4.913 -9.468 1.00 0.00 S ATOM 73 CE MET A 8 -2.997 4.879 -8.250 1.00 0.00 C ATOM 0 HA MET A 8 -6.512 1.197 -9.521 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.823 4.088 -8.824 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.139 3.058 -7.583 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.218 2.618 -8.790 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.012 2.797 -10.342 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.525 5.860 -8.197 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.412 4.622 -7.275 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.255 4.134 -8.536 1.00 0.00 H new ATOM 83 N ILE A 9 -8.605 2.331 -7.228 1.00 0.00 N ATOM 84 CA ILE A 9 -9.424 1.930 -6.090 1.00 0.00 C ATOM 85 C ILE A 9 -10.326 0.755 -6.450 1.00 0.00 C ATOM 86 O ILE A 9 -10.532 -0.153 -5.644 1.00 0.00 O ATOM 87 CB ILE A 9 -10.295 3.095 -5.585 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.420 4.303 -5.243 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.107 2.663 -4.373 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.207 5.244 -6.408 1.00 0.00 C ATOM 0 H ILE A 9 -8.560 3.338 -7.382 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.738 1.630 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.986 3.383 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.879 4.853 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.451 3.951 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.717 3.497 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.754 1.829 -4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.433 2.352 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.578 6.077 -6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.720 4.709 -7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.170 5.625 -6.749 1.00 0.00 H new ATOM 102 N ALA A 10 -10.862 0.777 -7.666 1.00 0.00 N ATOM 103 CA ALA A 10 -11.739 -0.289 -8.134 1.00 0.00 C ATOM 104 C ALA A 10 -11.044 -1.644 -8.061 1.00 0.00 C ATOM 105 O ALA A 10 -11.497 -2.548 -7.359 1.00 0.00 O ATOM 106 CB ALA A 10 -12.201 -0.006 -9.556 1.00 0.00 C ATOM 0 H ALA A 10 -10.704 1.522 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.611 -0.322 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.855 -0.810 -9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.745 0.938 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.335 0.057 -10.214 1.00 0.00 H new ATOM 112 N ALA A 11 -9.942 -1.779 -8.792 1.00 0.00 N ATOM 113 CA ALA A 11 -9.184 -3.023 -8.809 1.00 0.00 C ATOM 114 C ALA A 11 -8.748 -3.420 -7.403 1.00 0.00 C ATOM 115 O ALA A 11 -9.034 -4.525 -6.942 1.00 0.00 O ATOM 116 CB ALA A 11 -7.974 -2.892 -9.722 1.00 0.00 C ATOM 0 H ALA A 11 -9.555 -1.041 -9.380 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.833 -3.809 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.417 -3.829 -9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.306 -2.664 -10.735 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.331 -2.089 -9.361 1.00 0.00 H new ATOM 122 N TYR A 12 -8.054 -2.512 -6.726 1.00 0.00 N ATOM 123 CA TYR A 12 -7.576 -2.769 -5.373 1.00 0.00 C ATOM 124 C TYR A 12 -8.708 -3.269 -4.480 1.00 0.00 C ATOM 125 O TYR A 12 -8.598 -4.321 -3.853 1.00 0.00 O ATOM 126 CB TYR A 12 -6.964 -1.500 -4.776 1.00 0.00 C ATOM 127 CG TYR A 12 -5.731 -1.020 -5.508 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.674 -1.883 -5.769 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.624 0.296 -5.940 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.545 -1.449 -6.437 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.499 0.739 -6.610 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.463 -0.137 -6.855 1.00 0.00 C ATOM 133 OH TYR A 12 -2.341 0.299 -7.522 1.00 0.00 O ATOM 0 H TYR A 12 -7.810 -1.592 -7.092 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.811 -3.544 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.712 -0.708 -4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.708 -1.686 -3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.736 -2.911 -5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.434 0.985 -5.749 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.732 -2.133 -6.631 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.432 1.765 -6.940 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.443 1.247 -7.748 1.00 0.00 H new ATOM 143 N GLU A 13 -9.795 -2.506 -4.431 1.00 0.00 N ATOM 144 CA GLU A 13 -10.947 -2.871 -3.616 1.00 0.00 C ATOM 145 C GLU A 13 -11.485 -4.242 -4.017 1.00 0.00 C ATOM 146 O GLU A 13 -11.652 -5.125 -3.176 1.00 0.00 O ATOM 147 CB GLU A 13 -12.050 -1.819 -3.751 1.00 0.00 C ATOM 148 CG GLU A 13 -13.048 -1.831 -2.605 1.00 0.00 C ATOM 149 CD GLU A 13 -13.627 -3.209 -2.351 1.00 0.00 C ATOM 150 OE1 GLU A 13 -14.179 -3.805 -3.301 1.00 0.00 O ATOM 151 OE2 GLU A 13 -13.530 -3.692 -1.204 1.00 0.00 O ATOM 0 H GLU A 13 -9.902 -1.632 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.624 -2.916 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.593 -0.832 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.583 -1.982 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.559 -1.474 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.858 -1.136 -2.826 1.00 0.00 H new ATOM 158 N ASN A 14 -11.754 -4.411 -5.307 1.00 0.00 N ATOM 159 CA ASN A 14 -12.274 -5.673 -5.820 1.00 0.00 C ATOM 160 C ASN A 14 -11.383 -6.839 -5.401 1.00 0.00 C ATOM 161 O ASN A 14 -11.873 -7.897 -5.005 1.00 0.00 O ATOM 162 CB ASN A 14 -12.381 -5.622 -7.346 1.00 0.00 C ATOM 163 CG ASN A 14 -13.368 -6.636 -7.890 1.00 0.00 C ATOM 164 OD1 ASN A 14 -14.573 -6.388 -7.928 1.00 0.00 O ATOM 165 ND2 ASN A 14 -12.860 -7.787 -8.315 1.00 0.00 N ATOM 0 H ASN A 14 -11.621 -3.690 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.267 -5.827 -5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.686 -4.621 -7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.399 -5.804 -7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.475 -8.508 -8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.854 -7.950 -8.265 1.00 0.00 H new ATOM 172 N SER A 15 -10.072 -6.637 -5.490 1.00 0.00 N ATOM 173 CA SER A 15 -9.113 -7.672 -5.123 1.00 0.00 C ATOM 174 C SER A 15 -9.151 -7.940 -3.622 1.00 0.00 C ATOM 175 O SER A 15 -9.597 -7.100 -2.840 1.00 0.00 O ATOM 176 CB SER A 15 -7.701 -7.260 -5.543 1.00 0.00 C ATOM 177 OG SER A 15 -6.825 -8.374 -5.550 1.00 0.00 O ATOM 0 H SER A 15 -9.650 -5.766 -5.813 1.00 0.00 H new ATOM 0 HA SER A 15 -9.387 -8.589 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.730 -6.810 -6.535 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.322 -6.500 -4.860 1.00 0.00 H new ATOM 0 HG SER A 15 -5.930 -8.084 -5.823 1.00 0.00 H new ATOM 183 N LYS A 16 -8.680 -9.118 -3.225 1.00 0.00 N ATOM 184 CA LYS A 16 -8.658 -9.500 -1.818 1.00 0.00 C ATOM 185 C LYS A 16 -7.229 -9.530 -1.285 1.00 0.00 C ATOM 186 O LYS A 16 -6.273 -9.339 -2.036 1.00 0.00 O ATOM 187 CB LYS A 16 -9.313 -10.870 -1.630 1.00 0.00 C ATOM 188 CG LYS A 16 -10.821 -10.854 -1.814 1.00 0.00 C ATOM 189 CD LYS A 16 -11.365 -12.248 -2.077 1.00 0.00 C ATOM 190 CE LYS A 16 -12.844 -12.211 -2.430 1.00 0.00 C ATOM 191 NZ LYS A 16 -13.086 -11.541 -3.738 1.00 0.00 N ATOM 0 H LYS A 16 -8.308 -9.825 -3.859 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.221 -8.755 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.876 -11.573 -2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.081 -11.240 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.293 -10.440 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.080 -10.198 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.807 -12.710 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.216 -12.871 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.234 -13.228 -2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.391 -11.687 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.050 -11.754 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.978 -10.513 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.399 -11.888 -4.438 1.00 0.00 H new ATOM 205 N TRP A 17 -7.093 -9.771 0.014 1.00 0.00 N ATOM 206 CA TRP A 17 -5.780 -9.828 0.646 1.00 0.00 C ATOM 207 C TRP A 17 -4.957 -10.985 0.091 1.00 0.00 C ATOM 208 O TRP A 17 -5.491 -12.057 -0.191 1.00 0.00 O ATOM 209 CB TRP A 17 -5.927 -9.972 2.162 1.00 0.00 C ATOM 210 CG TRP A 17 -4.627 -9.860 2.899 1.00 0.00 C ATOM 211 CD1 TRP A 17 -4.078 -8.725 3.425 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.712 -10.922 3.188 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.877 -9.018 4.024 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.630 -10.359 3.894 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.702 -12.294 2.923 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.551 -11.122 4.334 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.630 -13.049 3.360 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.567 -12.462 4.060 1.00 0.00 C ATOM 0 H TRP A 17 -7.875 -9.930 0.650 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.258 -8.897 0.425 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.611 -9.206 2.528 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.381 -10.937 2.386 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.523 -7.742 3.377 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.268 -8.346 4.490 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.517 -12.756 2.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.730 -10.671 4.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.611 -14.110 3.159 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.745 -13.080 4.389 1.00 0.00 H new ATOM 229 N GLU A 18 -3.656 -10.760 -0.064 1.00 0.00 N ATOM 230 CA GLU A 18 -2.761 -11.785 -0.587 1.00 0.00 C ATOM 231 C GLU A 18 -1.433 -11.783 0.165 1.00 0.00 C ATOM 232 O GLU A 18 -0.807 -10.743 0.367 1.00 0.00 O ATOM 233 CB GLU A 18 -2.514 -11.565 -2.081 1.00 0.00 C ATOM 234 CG GLU A 18 -1.943 -12.781 -2.790 1.00 0.00 C ATOM 235 CD GLU A 18 -3.010 -13.786 -3.178 1.00 0.00 C ATOM 236 OE1 GLU A 18 -3.329 -14.663 -2.349 1.00 0.00 O ATOM 237 OE2 GLU A 18 -3.527 -13.693 -4.311 1.00 0.00 O ATOM 0 H GLU A 18 -3.199 -9.877 0.165 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.238 -12.754 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.453 -11.285 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.829 -10.726 -2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.411 -12.458 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.212 -13.265 -2.142 1.00 0.00 H new ATOM 244 N PRO A 19 -0.993 -12.977 0.589 1.00 0.00 N ATOM 245 CA PRO A 19 0.264 -13.141 1.326 1.00 0.00 C ATOM 246 C PRO A 19 1.486 -12.892 0.448 1.00 0.00 C ATOM 247 O PRO A 19 1.899 -13.762 -0.320 1.00 0.00 O ATOM 248 CB PRO A 19 0.221 -14.601 1.781 1.00 0.00 C ATOM 249 CG PRO A 19 -0.663 -15.280 0.793 1.00 0.00 C ATOM 250 CD PRO A 19 -1.688 -14.259 0.384 1.00 0.00 C ATOM 0 HA PRO A 19 0.352 -12.428 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.218 -15.042 1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.175 -14.689 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.092 -15.626 -0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.139 -16.156 1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.993 -14.389 -0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.590 -14.329 0.992 1.00 0.00 H new ATOM 258 N VAL A 20 2.062 -11.700 0.568 1.00 0.00 N ATOM 259 CA VAL A 20 3.239 -11.338 -0.214 1.00 0.00 C ATOM 260 C VAL A 20 4.290 -10.661 0.658 1.00 0.00 C ATOM 261 O VAL A 20 4.091 -9.544 1.136 1.00 0.00 O ATOM 262 CB VAL A 20 2.872 -10.401 -1.379 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.031 -9.234 -0.882 1.00 0.00 C ATOM 264 CG2 VAL A 20 4.128 -9.903 -2.078 1.00 0.00 C ATOM 0 H VAL A 20 1.733 -10.969 1.199 1.00 0.00 H new ATOM 0 HA VAL A 20 3.648 -12.264 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 20 2.280 -10.963 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.781 -8.583 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.114 -9.613 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.595 -8.670 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.850 -9.242 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.748 -9.357 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.687 -10.752 -2.470 1.00 0.00 H new ATOM 274 N LYS A 21 5.412 -11.343 0.861 1.00 0.00 N ATOM 275 CA LYS A 21 6.498 -10.808 1.673 1.00 0.00 C ATOM 276 C LYS A 21 7.029 -9.506 1.082 1.00 0.00 C ATOM 277 O LYS A 21 7.907 -9.518 0.219 1.00 0.00 O ATOM 278 CB LYS A 21 7.631 -11.830 1.784 1.00 0.00 C ATOM 279 CG LYS A 21 8.667 -11.478 2.838 1.00 0.00 C ATOM 280 CD LYS A 21 9.530 -12.677 3.194 1.00 0.00 C ATOM 281 CE LYS A 21 8.809 -13.622 4.142 1.00 0.00 C ATOM 282 NZ LYS A 21 9.757 -14.343 5.035 1.00 0.00 N ATOM 0 H LYS A 21 5.593 -12.269 0.473 1.00 0.00 H new ATOM 0 HA LYS A 21 6.106 -10.601 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.206 -12.807 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.125 -11.919 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.299 -10.669 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.166 -11.110 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.804 -13.212 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.457 -12.335 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.099 -13.058 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.233 -14.345 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.226 -14.977 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.419 -14.902 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.289 -13.655 5.604 1.00 0.00 H new ATOM 296 N TRP A 22 6.492 -8.386 1.553 1.00 0.00 N ATOM 297 CA TRP A 22 6.914 -7.076 1.071 1.00 0.00 C ATOM 298 C TRP A 22 8.412 -6.877 1.275 1.00 0.00 C ATOM 299 O TRP A 22 8.903 -6.909 2.403 1.00 0.00 O ATOM 300 CB TRP A 22 6.138 -5.971 1.791 1.00 0.00 C ATOM 301 CG TRP A 22 4.659 -6.035 1.557 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.701 -6.389 2.464 1.00 0.00 C ATOM 303 CD2 TRP A 22 3.970 -5.740 0.337 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.458 -6.331 1.881 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.596 -5.934 0.577 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.381 -5.327 -0.933 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.633 -5.732 -0.408 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.424 -5.127 -1.910 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.063 -5.328 -1.643 1.00 0.00 C ATOM 0 H TRP A 22 5.764 -8.359 2.267 1.00 0.00 H new ATOM 0 HA TRP A 22 6.702 -7.024 0.003 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.333 -6.038 2.861 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.509 -5.001 1.460 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.892 -6.673 3.488 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.576 -6.548 2.344 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.427 -5.167 -1.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.584 -5.889 -0.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.730 -4.810 -2.896 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.339 -5.161 -2.427 1.00 0.00 H new ATOM 320 N GLU A 23 9.132 -6.671 0.177 1.00 0.00 N ATOM 321 CA GLU A 23 10.575 -6.468 0.237 1.00 0.00 C ATOM 322 C GLU A 23 10.915 -4.981 0.238 1.00 0.00 C ATOM 323 O GLU A 23 10.037 -4.132 0.091 1.00 0.00 O ATOM 324 CB GLU A 23 11.259 -7.159 -0.944 1.00 0.00 C ATOM 325 CG GLU A 23 11.155 -8.674 -0.908 1.00 0.00 C ATOM 326 CD GLU A 23 11.977 -9.342 -1.993 1.00 0.00 C ATOM 327 OE1 GLU A 23 13.200 -9.498 -1.800 1.00 0.00 O ATOM 328 OE2 GLU A 23 11.395 -9.709 -3.035 1.00 0.00 O ATOM 0 H GLU A 23 8.740 -6.640 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 23 10.940 -6.907 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.818 -6.795 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.312 -6.876 -0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.486 -9.034 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.110 -8.965 -1.018 1.00 0.00 H new ATOM 335 N ASN A 24 12.197 -4.673 0.404 1.00 0.00 N ATOM 336 CA ASN A 24 12.655 -3.288 0.425 1.00 0.00 C ATOM 337 C ASN A 24 12.646 -2.691 -0.978 1.00 0.00 C ATOM 338 O ASN A 24 12.640 -3.417 -1.973 1.00 0.00 O ATOM 339 CB ASN A 24 14.063 -3.204 1.019 1.00 0.00 C ATOM 340 CG ASN A 24 14.594 -1.783 1.046 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.360 -1.085 2.151 1.00 0.00 O flip ATOM 342 ND2 ASN A 24 15.207 -1.320 0.084 1.00 0.00 N flip ATOM 0 H ASN A 24 12.938 -5.364 0.526 1.00 0.00 H new ATOM 0 HA ASN A 24 11.970 -2.714 1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.051 -3.604 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.738 -3.831 0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.364 -1.893 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.558 -0.363 0.116 1.00 0.00 H new ATOM 349 N ASP A 25 12.644 -1.365 -1.051 1.00 0.00 N ATOM 350 CA ASP A 25 12.638 -0.669 -2.332 1.00 0.00 C ATOM 351 C ASP A 25 11.607 -1.280 -3.277 1.00 0.00 C ATOM 352 O ASP A 25 11.918 -1.607 -4.422 1.00 0.00 O ATOM 353 CB ASP A 25 14.026 -0.719 -2.971 1.00 0.00 C ATOM 354 CG ASP A 25 14.534 -2.137 -3.143 1.00 0.00 C ATOM 355 OD1 ASP A 25 13.958 -2.877 -3.968 1.00 0.00 O ATOM 356 OD2 ASP A 25 15.507 -2.505 -2.454 1.00 0.00 O ATOM 0 H ASP A 25 12.646 -0.750 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 25 12.368 0.371 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.993 -0.228 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.727 -0.157 -2.354 1.00 0.00 H new ATOM 361 N MET A 26 10.381 -1.432 -2.788 1.00 0.00 N ATOM 362 CA MET A 26 9.305 -2.004 -3.589 1.00 0.00 C ATOM 363 C MET A 26 8.157 -1.012 -3.746 1.00 0.00 C ATOM 364 O MET A 26 8.177 0.073 -3.162 1.00 0.00 O ATOM 365 CB MET A 26 8.794 -3.296 -2.948 1.00 0.00 C ATOM 366 CG MET A 26 9.581 -4.530 -3.358 1.00 0.00 C ATOM 367 SD MET A 26 8.639 -6.054 -3.153 1.00 0.00 S ATOM 368 CE MET A 26 7.422 -5.877 -4.456 1.00 0.00 C ATOM 0 H MET A 26 10.108 -1.167 -1.842 1.00 0.00 H new ATOM 0 HA MET A 26 9.704 -2.231 -4.578 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.833 -3.194 -1.863 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.747 -3.436 -3.218 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.885 -4.433 -4.400 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.493 -4.588 -2.764 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.042 -6.860 -4.735 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.599 -5.256 -4.103 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.884 -5.407 -5.324 1.00 0.00 H new ATOM 378 N HIS A 27 7.158 -1.389 -4.537 1.00 0.00 N ATOM 379 CA HIS A 27 6.001 -0.532 -4.770 1.00 0.00 C ATOM 380 C HIS A 27 4.709 -1.246 -4.383 1.00 0.00 C ATOM 381 O HIS A 27 4.533 -2.430 -4.671 1.00 0.00 O ATOM 382 CB HIS A 27 5.943 -0.105 -6.237 1.00 0.00 C ATOM 383 CG HIS A 27 6.820 1.066 -6.556 1.00 0.00 C ATOM 384 ND1 HIS A 27 7.950 1.514 -5.960 1.00 0.00 N flip ATOM 385 CD2 HIS A 27 6.569 1.932 -7.599 1.00 0.00 C flip ATOM 386 CE1 HIS A 27 8.358 2.630 -6.649 1.00 0.00 C flip ATOM 387 NE2 HIS A 27 7.509 2.860 -7.633 1.00 0.00 N flip ATOM 0 H HIS A 27 7.126 -2.283 -5.028 1.00 0.00 H new ATOM 0 HA HIS A 27 6.105 0.355 -4.146 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.234 -0.948 -6.864 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.913 0.142 -6.494 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.735 1.863 -8.281 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.232 3.223 -6.422 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.568 3.624 -8.306 1.00 0.00 H new ATOM 395 N CYS A 28 3.810 -0.518 -3.730 1.00 0.00 N ATOM 396 CA CYS A 28 2.535 -1.083 -3.303 1.00 0.00 C ATOM 397 C CYS A 28 1.504 0.017 -3.069 1.00 0.00 C ATOM 398 O CYS A 28 1.854 1.187 -2.915 1.00 0.00 O ATOM 399 CB CYS A 28 2.719 -1.904 -2.026 1.00 0.00 C ATOM 400 SG CYS A 28 3.413 -0.971 -0.641 1.00 0.00 S ATOM 0 H CYS A 28 3.940 0.464 -3.485 1.00 0.00 H new ATOM 0 HA CYS A 28 2.171 -1.735 -4.097 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.754 -2.312 -1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.370 -2.751 -2.242 1.00 0.00 H new ATOM 0 HG CYS A 28 3.175 0.296 -0.809 1.00 0.00 H new ATOM 406 N ALA A 29 0.232 -0.366 -3.047 1.00 0.00 N ATOM 407 CA ALA A 29 -0.850 0.587 -2.833 1.00 0.00 C ATOM 408 C ALA A 29 -1.438 0.445 -1.433 1.00 0.00 C ATOM 409 O ALA A 29 -1.697 -0.665 -0.968 1.00 0.00 O ATOM 410 CB ALA A 29 -1.934 0.401 -3.884 1.00 0.00 C ATOM 0 H ALA A 29 -0.075 -1.330 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.439 1.592 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.735 1.119 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.511 0.561 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.334 -0.611 -3.819 1.00 0.00 H new ATOM 416 N VAL A 30 -1.646 1.575 -0.765 1.00 0.00 N ATOM 417 CA VAL A 30 -2.204 1.576 0.582 1.00 0.00 C ATOM 418 C VAL A 30 -3.560 2.272 0.614 1.00 0.00 C ATOM 419 O VAL A 30 -3.871 3.090 -0.252 1.00 0.00 O ATOM 420 CB VAL A 30 -1.259 2.270 1.580 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.880 3.657 1.082 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.901 2.346 2.957 1.00 0.00 C ATOM 0 H VAL A 30 -1.436 2.502 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.327 0.533 0.875 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.347 1.678 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.212 4.132 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.376 3.573 0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.780 4.262 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.219 2.839 3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.829 2.914 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.115 1.339 3.315 1.00 0.00 H new ATOM 432 N LYS A 31 -4.364 1.942 1.619 1.00 0.00 N ATOM 433 CA LYS A 31 -5.687 2.536 1.768 1.00 0.00 C ATOM 434 C LYS A 31 -5.687 3.599 2.862 1.00 0.00 C ATOM 435 O LYS A 31 -5.155 3.382 3.951 1.00 0.00 O ATOM 436 CB LYS A 31 -6.720 1.455 2.092 1.00 0.00 C ATOM 437 CG LYS A 31 -8.157 1.939 1.999 1.00 0.00 C ATOM 438 CD LYS A 31 -9.120 0.956 2.643 1.00 0.00 C ATOM 439 CE LYS A 31 -9.327 1.263 4.118 1.00 0.00 C ATOM 440 NZ LYS A 31 -9.984 2.584 4.322 1.00 0.00 N ATOM 0 H LYS A 31 -4.122 1.266 2.343 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.952 3.012 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.583 0.617 1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.537 1.079 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.247 2.910 2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.427 2.081 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.078 0.992 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.735 -0.058 2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.937 0.480 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.365 1.253 4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.468 2.593 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.266 3.336 4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.678 2.747 3.565 1.00 0.00 H new ATOM 454 N ILE A 32 -6.288 4.747 2.566 1.00 0.00 N ATOM 455 CA ILE A 32 -6.359 5.841 3.526 1.00 0.00 C ATOM 456 C ILE A 32 -7.602 5.725 4.401 1.00 0.00 C ATOM 457 O ILE A 32 -8.664 5.313 3.935 1.00 0.00 O ATOM 458 CB ILE A 32 -6.368 7.210 2.819 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.344 7.228 1.682 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.080 8.322 3.816 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.505 8.403 0.743 1.00 0.00 C ATOM 0 H ILE A 32 -6.733 4.943 1.669 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.470 5.770 4.152 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.358 7.377 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.341 7.248 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.430 6.303 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.090 9.283 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.843 8.319 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.101 8.162 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.746 8.351 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.496 8.373 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.389 9.333 1.300 1.00 0.00 H new ATOM 473 N GLN A 33 -7.461 6.093 5.670 1.00 0.00 N ATOM 474 CA GLN A 33 -8.574 6.031 6.611 1.00 0.00 C ATOM 475 C GLN A 33 -9.500 7.230 6.438 1.00 0.00 C ATOM 476 O GLN A 33 -10.671 7.077 6.090 1.00 0.00 O ATOM 477 CB GLN A 33 -8.053 5.977 8.048 1.00 0.00 C ATOM 478 CG GLN A 33 -7.627 4.586 8.489 1.00 0.00 C ATOM 479 CD GLN A 33 -7.795 4.370 9.980 1.00 0.00 C ATOM 480 OE1 GLN A 33 -8.510 5.115 10.650 1.00 0.00 O ATOM 481 NE2 GLN A 33 -7.136 3.345 10.507 1.00 0.00 N ATOM 0 H GLN A 33 -6.588 6.437 6.070 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.141 5.124 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.205 6.655 8.144 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.829 6.341 8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.214 3.842 7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.583 4.427 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.554 2.753 9.914 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.211 3.149 11.505 1.00 0.00 H new ATOM 490 N ASP A 34 -8.968 8.422 6.683 1.00 0.00 N ATOM 491 CA ASP A 34 -9.747 9.649 6.553 1.00 0.00 C ATOM 492 C ASP A 34 -10.404 9.732 5.179 1.00 0.00 C ATOM 493 O ASP A 34 -11.587 10.054 5.063 1.00 0.00 O ATOM 494 CB ASP A 34 -8.856 10.870 6.782 1.00 0.00 C ATOM 495 CG ASP A 34 -8.635 11.159 8.254 1.00 0.00 C ATOM 496 OD1 ASP A 34 -7.842 10.431 8.888 1.00 0.00 O ATOM 497 OD2 ASP A 34 -9.254 12.111 8.772 1.00 0.00 O ATOM 0 H ASP A 34 -8.001 8.565 6.973 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.531 9.635 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.893 10.709 6.298 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.309 11.741 6.308 1.00 0.00 H new ATOM 502 N LYS A 35 -9.629 9.442 4.140 1.00 0.00 N ATOM 503 CA LYS A 35 -10.135 9.485 2.773 1.00 0.00 C ATOM 504 C LYS A 35 -10.516 8.089 2.290 1.00 0.00 C ATOM 505 O LYS A 35 -10.381 7.110 3.024 1.00 0.00 O ATOM 506 CB LYS A 35 -9.085 10.090 1.838 1.00 0.00 C ATOM 507 CG LYS A 35 -8.298 11.228 2.463 1.00 0.00 C ATOM 508 CD LYS A 35 -9.197 12.403 2.812 1.00 0.00 C ATOM 509 CE LYS A 35 -8.605 13.244 3.932 1.00 0.00 C ATOM 510 NZ LYS A 35 -7.594 14.212 3.424 1.00 0.00 N ATOM 0 H LYS A 35 -8.648 9.175 4.218 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.027 10.111 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.392 9.307 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.579 10.453 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.796 10.873 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.521 11.556 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.345 13.024 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.178 12.035 3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.403 13.785 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.142 12.590 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.214 14.766 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.820 13.694 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.041 14.853 2.737 1.00 0.00 H new ATOM 524 N ASN A 36 -10.990 8.004 1.052 1.00 0.00 N ATOM 525 CA ASN A 36 -11.390 6.728 0.471 1.00 0.00 C ATOM 526 C ASN A 36 -10.639 6.463 -0.830 1.00 0.00 C ATOM 527 O ASN A 36 -11.192 5.896 -1.772 1.00 0.00 O ATOM 528 CB ASN A 36 -12.898 6.710 0.216 1.00 0.00 C ATOM 529 CG ASN A 36 -13.703 6.707 1.501 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.149 6.573 2.593 1.00 0.00 O ATOM 531 ND2 ASN A 36 -15.016 6.855 1.377 1.00 0.00 N ATOM 0 H ASN A 36 -11.107 8.805 0.431 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.139 5.940 1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.173 7.580 -0.380 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.154 5.828 -0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.609 6.861 2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.432 6.963 0.452 1.00 0.00 H new ATOM 538 N GLN A 37 -9.376 6.876 -0.873 1.00 0.00 N ATOM 539 CA GLN A 37 -8.550 6.684 -2.059 1.00 0.00 C ATOM 540 C GLN A 37 -7.433 5.681 -1.787 1.00 0.00 C ATOM 541 O GLN A 37 -7.367 5.088 -0.710 1.00 0.00 O ATOM 542 CB GLN A 37 -7.955 8.017 -2.513 1.00 0.00 C ATOM 543 CG GLN A 37 -8.961 8.933 -3.192 1.00 0.00 C ATOM 544 CD GLN A 37 -9.426 8.397 -4.532 1.00 0.00 C ATOM 545 OE1 GLN A 37 -10.394 7.640 -4.608 1.00 0.00 O ATOM 546 NE2 GLN A 37 -8.737 8.789 -5.598 1.00 0.00 N ATOM 0 H GLN A 37 -8.903 7.345 -0.101 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.184 6.288 -2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.534 8.531 -1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.132 7.823 -3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.824 9.067 -2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.513 9.917 -3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.941 9.418 -5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.004 8.461 -6.526 1.00 0.00 H new ATOM 555 N TRP A 38 -6.558 5.497 -2.769 1.00 0.00 N ATOM 556 CA TRP A 38 -5.444 4.566 -2.635 1.00 0.00 C ATOM 557 C TRP A 38 -4.152 5.184 -3.157 1.00 0.00 C ATOM 558 O TRP A 38 -4.004 5.413 -4.358 1.00 0.00 O ATOM 559 CB TRP A 38 -5.744 3.268 -3.388 1.00 0.00 C ATOM 560 CG TRP A 38 -6.598 2.314 -2.609 1.00 0.00 C ATOM 561 CD1 TRP A 38 -7.953 2.372 -2.446 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.154 1.160 -1.887 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.378 1.324 -1.665 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.294 0.565 -1.311 1.00 0.00 C ATOM 565 CE3 TRP A 38 -4.905 0.570 -1.673 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.219 -0.588 -0.534 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -4.833 -0.575 -0.902 1.00 0.00 C ATOM 568 CH2 TRP A 38 -5.983 -1.145 -0.341 1.00 0.00 C ATOM 0 H TRP A 38 -6.598 5.980 -3.666 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.315 4.342 -1.576 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.243 3.508 -4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.804 2.778 -3.643 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.596 3.130 -2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.344 1.141 -1.393 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.013 1.001 -2.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.104 -1.028 -0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.873 -1.038 -0.729 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.893 -2.041 0.255 1.00 0.00 H new ATOM 579 N ARG A 39 -3.219 5.451 -2.249 1.00 0.00 N ATOM 580 CA ARG A 39 -1.940 6.044 -2.619 1.00 0.00 C ATOM 581 C ARG A 39 -0.819 5.013 -2.536 1.00 0.00 C ATOM 582 O ARG A 39 -0.738 4.245 -1.577 1.00 0.00 O ATOM 583 CB ARG A 39 -1.622 7.233 -1.711 1.00 0.00 C ATOM 584 CG ARG A 39 -2.428 8.480 -2.036 1.00 0.00 C ATOM 585 CD ARG A 39 -1.677 9.745 -1.649 1.00 0.00 C ATOM 586 NE ARG A 39 -2.584 10.833 -1.293 1.00 0.00 N ATOM 587 CZ ARG A 39 -3.240 10.894 -0.140 1.00 0.00 C ATOM 588 NH1 ARG A 39 -3.091 9.936 0.764 1.00 0.00 N ATOM 589 NH2 ARG A 39 -4.048 11.917 0.111 1.00 0.00 N ATOM 0 H ARG A 39 -3.325 5.266 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.015 6.393 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.810 6.949 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.560 7.466 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.654 8.501 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.382 8.446 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.018 9.532 -0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.043 10.058 -2.479 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.721 11.587 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.471 9.149 0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.597 9.986 1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.165 12.656 -0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.552 11.964 0.997 1.00 0.00 H new ATOM 603 N ARG A 40 0.044 5.001 -3.547 1.00 0.00 N ATOM 604 CA ARG A 40 1.159 4.063 -3.589 1.00 0.00 C ATOM 605 C ARG A 40 2.314 4.552 -2.720 1.00 0.00 C ATOM 606 O ARG A 40 2.604 5.747 -2.669 1.00 0.00 O ATOM 607 CB ARG A 40 1.638 3.871 -5.030 1.00 0.00 C ATOM 608 CG ARG A 40 2.269 5.115 -5.633 1.00 0.00 C ATOM 609 CD ARG A 40 2.613 4.909 -7.100 1.00 0.00 C ATOM 610 NE ARG A 40 1.484 5.212 -7.975 1.00 0.00 N ATOM 611 CZ ARG A 40 0.999 6.436 -8.153 1.00 0.00 C ATOM 612 NH1 ARG A 40 1.543 7.466 -7.519 1.00 0.00 N ATOM 613 NH2 ARG A 40 -0.031 6.632 -8.966 1.00 0.00 N ATOM 0 H ARG A 40 -0.008 5.630 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 40 0.811 3.107 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.362 3.057 -5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.793 3.567 -5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.584 5.957 -5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.172 5.372 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.458 5.543 -7.367 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.927 3.877 -7.257 1.00 0.00 H new ATOM 0 HE ARG A 40 1.043 4.441 -8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.335 7.319 -6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.169 8.405 -7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.452 5.842 -9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.402 7.572 -9.101 1.00 0.00 H new ATOM 627 N GLY A 41 2.969 3.619 -2.035 1.00 0.00 N ATOM 628 CA GLY A 41 4.084 3.975 -1.176 1.00 0.00 C ATOM 629 C GLY A 41 5.312 3.127 -1.440 1.00 0.00 C ATOM 630 O GLY A 41 5.253 2.156 -2.195 1.00 0.00 O ATOM 0 H GLY A 41 2.748 2.624 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.333 5.026 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.786 3.863 -0.134 1.00 0.00 H new ATOM 634 N GLN A 42 6.428 3.494 -0.818 1.00 0.00 N ATOM 635 CA GLN A 42 7.676 2.761 -0.992 1.00 0.00 C ATOM 636 C GLN A 42 8.026 1.976 0.268 1.00 0.00 C ATOM 637 O GLN A 42 8.189 2.551 1.344 1.00 0.00 O ATOM 638 CB GLN A 42 8.813 3.724 -1.339 1.00 0.00 C ATOM 639 CG GLN A 42 9.989 3.052 -2.029 1.00 0.00 C ATOM 640 CD GLN A 42 11.144 4.003 -2.273 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.155 4.745 -3.255 1.00 0.00 O ATOM 642 NE2 GLN A 42 12.124 3.986 -1.377 1.00 0.00 N ATOM 0 H GLN A 42 6.493 4.294 -0.189 1.00 0.00 H new ATOM 0 HA GLN A 42 7.543 2.056 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.426 4.513 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.164 4.203 -0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.334 2.217 -1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.658 2.637 -2.981 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.073 3.354 -0.578 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.927 4.605 -1.488 1.00 0.00 H new ATOM 651 N ILE A 43 8.139 0.659 0.125 1.00 0.00 N ATOM 652 CA ILE A 43 8.470 -0.204 1.252 1.00 0.00 C ATOM 653 C ILE A 43 9.728 0.280 1.965 1.00 0.00 C ATOM 654 O ILE A 43 10.838 -0.147 1.646 1.00 0.00 O ATOM 655 CB ILE A 43 8.678 -1.662 0.801 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.406 -2.203 0.145 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.081 -2.530 1.984 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.225 -2.278 1.087 1.00 0.00 C ATOM 0 H ILE A 43 8.006 0.168 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 43 7.626 -0.161 1.941 1.00 0.00 H new ATOM 0 HB ILE A 43 9.482 -1.688 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.145 -1.568 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.607 -3.198 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.224 -3.557 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.011 -2.154 2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.297 -2.501 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.359 -2.670 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.466 -2.937 1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.998 -1.281 1.465 1.00 0.00 H new ATOM 670 N ILE A 44 9.546 1.172 2.933 1.00 0.00 N ATOM 671 CA ILE A 44 10.666 1.712 3.693 1.00 0.00 C ATOM 672 C ILE A 44 11.336 0.628 4.531 1.00 0.00 C ATOM 673 O ILE A 44 12.464 0.223 4.252 1.00 0.00 O ATOM 674 CB ILE A 44 10.217 2.857 4.621 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.714 4.043 3.796 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.361 3.283 5.528 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.297 5.230 4.636 1.00 0.00 C ATOM 0 H ILE A 44 8.634 1.536 3.209 1.00 0.00 H new ATOM 0 HA ILE A 44 11.380 2.101 2.968 1.00 0.00 H new ATOM 0 HB ILE A 44 9.398 2.499 5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.499 4.354 3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.867 3.721 3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.028 4.093 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.677 2.436 6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.198 3.626 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.952 6.033 3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.491 4.935 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.148 5.578 5.222 1.00 0.00 H new ATOM 689 N ARG A 45 10.632 0.161 5.557 1.00 0.00 N ATOM 690 CA ARG A 45 11.158 -0.877 6.435 1.00 0.00 C ATOM 691 C ARG A 45 10.025 -1.630 7.126 1.00 0.00 C ATOM 692 O ARG A 45 9.187 -1.030 7.797 1.00 0.00 O ATOM 693 CB ARG A 45 12.091 -0.265 7.481 1.00 0.00 C ATOM 694 CG ARG A 45 11.360 0.359 8.658 1.00 0.00 C ATOM 695 CD ARG A 45 12.234 1.368 9.386 1.00 0.00 C ATOM 696 NE ARG A 45 13.138 0.724 10.336 1.00 0.00 N ATOM 697 CZ ARG A 45 14.145 1.352 10.933 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.375 2.633 10.681 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.924 0.698 11.786 1.00 0.00 N ATOM 0 H ARG A 45 9.696 0.485 5.801 1.00 0.00 H new ATOM 0 HA ARG A 45 11.721 -1.583 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.765 -1.038 7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.709 0.495 7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.453 0.850 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.051 -0.423 9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.816 1.935 8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.601 2.081 9.914 1.00 0.00 H new ATOM 0 HE ARG A 45 12.988 -0.261 10.553 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.778 3.139 10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.149 3.112 11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.750 -0.287 11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.697 1.181 12.244 1.00 0.00 H new ATOM 713 N MET A 46 10.008 -2.948 6.956 1.00 0.00 N ATOM 714 CA MET A 46 8.978 -3.783 7.563 1.00 0.00 C ATOM 715 C MET A 46 9.122 -3.805 9.082 1.00 0.00 C ATOM 716 O MET A 46 10.052 -4.407 9.619 1.00 0.00 O ATOM 717 CB MET A 46 9.056 -5.208 7.012 1.00 0.00 C ATOM 718 CG MET A 46 8.488 -5.349 5.609 1.00 0.00 C ATOM 719 SD MET A 46 8.003 -7.042 5.222 1.00 0.00 S ATOM 720 CE MET A 46 6.573 -7.235 6.283 1.00 0.00 C ATOM 0 H MET A 46 10.695 -3.460 6.403 1.00 0.00 H new ATOM 0 HA MET A 46 8.006 -3.357 7.313 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.097 -5.531 7.008 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.517 -5.878 7.682 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.623 -4.694 5.504 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.231 -5.014 4.885 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.519 -8.264 6.637 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.659 -6.562 7.136 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.669 -6.996 5.722 1.00 0.00 H new ATOM 730 N VAL A 47 8.196 -3.143 9.769 1.00 0.00 N ATOM 731 CA VAL A 47 8.220 -3.087 11.226 1.00 0.00 C ATOM 732 C VAL A 47 7.961 -4.462 11.833 1.00 0.00 C ATOM 733 O VAL A 47 8.847 -5.060 12.444 1.00 0.00 O ATOM 734 CB VAL A 47 7.173 -2.094 11.766 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.279 -1.978 13.279 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.339 -0.734 11.105 1.00 0.00 C ATOM 0 H VAL A 47 7.420 -2.638 9.340 1.00 0.00 H new ATOM 0 HA VAL A 47 9.215 -2.748 11.514 1.00 0.00 H new ATOM 0 HB VAL A 47 6.180 -2.471 11.523 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.532 -1.273 13.643 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.107 -2.954 13.732 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.274 -1.624 13.548 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.592 -0.045 11.498 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.336 -0.347 11.315 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.209 -0.835 10.028 1.00 0.00 H new ATOM 746 N THR A 48 6.740 -4.959 11.661 1.00 0.00 N ATOM 747 CA THR A 48 6.364 -6.262 12.192 1.00 0.00 C ATOM 748 C THR A 48 5.813 -7.165 11.094 1.00 0.00 C ATOM 749 O THR A 48 5.780 -6.786 9.923 1.00 0.00 O ATOM 750 CB THR A 48 5.311 -6.132 13.309 1.00 0.00 C ATOM 751 OG1 THR A 48 4.062 -5.699 12.757 1.00 0.00 O ATOM 752 CG2 THR A 48 5.770 -5.146 14.372 1.00 0.00 C ATOM 0 H THR A 48 5.995 -4.478 11.158 1.00 0.00 H new ATOM 0 HA THR A 48 7.269 -6.707 12.606 1.00 0.00 H new ATOM 0 HB THR A 48 5.183 -7.110 13.773 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.351 -6.315 13.033 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.011 -5.070 15.150 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.706 -5.493 14.810 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.923 -4.167 13.918 1.00 0.00 H new ATOM 760 N ASP A 49 5.382 -8.361 11.479 1.00 0.00 N ATOM 761 CA ASP A 49 4.831 -9.318 10.527 1.00 0.00 C ATOM 762 C ASP A 49 3.427 -8.907 10.093 1.00 0.00 C ATOM 763 O ASP A 49 2.796 -9.576 9.274 1.00 0.00 O ATOM 764 CB ASP A 49 4.798 -10.719 11.140 1.00 0.00 C ATOM 765 CG ASP A 49 6.185 -11.251 11.444 1.00 0.00 C ATOM 766 OD1 ASP A 49 6.939 -10.562 12.162 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.516 -12.355 10.963 1.00 0.00 O ATOM 0 H ASP A 49 5.404 -8.691 12.444 1.00 0.00 H new ATOM 0 HA ASP A 49 5.475 -9.329 9.648 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.211 -10.697 12.058 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.293 -11.400 10.455 1.00 0.00 H new ATOM 772 N THR A 50 2.942 -7.800 10.648 1.00 0.00 N ATOM 773 CA THR A 50 1.613 -7.300 10.321 1.00 0.00 C ATOM 774 C THR A 50 1.670 -5.848 9.861 1.00 0.00 C ATOM 775 O THR A 50 0.808 -5.390 9.109 1.00 0.00 O ATOM 776 CB THR A 50 0.659 -7.409 11.526 1.00 0.00 C ATOM 777 OG1 THR A 50 1.390 -7.239 12.745 1.00 0.00 O ATOM 778 CG2 THR A 50 -0.049 -8.755 11.536 1.00 0.00 C ATOM 0 H THR A 50 3.451 -7.233 11.326 1.00 0.00 H new ATOM 0 HA THR A 50 1.233 -7.920 9.510 1.00 0.00 H new ATOM 0 HB THR A 50 -0.092 -6.623 11.440 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.777 -7.308 13.506 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.717 -8.808 12.396 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.628 -8.869 10.619 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.690 -9.554 11.600 1.00 0.00 H new ATOM 786 N LEU A 51 2.688 -5.127 10.317 1.00 0.00 N ATOM 787 CA LEU A 51 2.858 -3.725 9.952 1.00 0.00 C ATOM 788 C LEU A 51 4.075 -3.541 9.050 1.00 0.00 C ATOM 789 O LEU A 51 4.979 -4.376 9.032 1.00 0.00 O ATOM 790 CB LEU A 51 3.005 -2.865 11.208 1.00 0.00 C ATOM 791 CG LEU A 51 2.048 -3.186 12.357 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.675 -2.815 13.692 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.724 -2.460 12.167 1.00 0.00 C ATOM 0 H LEU A 51 3.409 -5.490 10.941 1.00 0.00 H new ATOM 0 HA LEU A 51 1.971 -3.407 9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.027 -2.964 11.574 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.867 -1.821 10.927 1.00 0.00 H new ATOM 0 HG LEU A 51 1.854 -4.259 12.355 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.980 -3.050 14.498 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.597 -3.380 13.831 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.898 -1.748 13.705 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.055 -2.700 12.994 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.899 -1.384 12.143 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.268 -2.775 11.228 1.00 0.00 H new ATOM 805 N VAL A 52 4.091 -2.440 8.305 1.00 0.00 N ATOM 806 CA VAL A 52 5.198 -2.144 7.404 1.00 0.00 C ATOM 807 C VAL A 52 5.324 -0.643 7.164 1.00 0.00 C ATOM 808 O VAL A 52 4.331 0.043 6.927 1.00 0.00 O ATOM 809 CB VAL A 52 5.025 -2.856 6.049 1.00 0.00 C ATOM 810 CG1 VAL A 52 5.985 -2.283 5.018 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.231 -4.355 6.207 1.00 0.00 C ATOM 0 H VAL A 52 3.350 -1.739 8.308 1.00 0.00 H new ATOM 0 HA VAL A 52 6.105 -2.510 7.885 1.00 0.00 H new ATOM 0 HB VAL A 52 4.008 -2.687 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.848 -2.798 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.785 -1.220 4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.011 -2.420 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.105 -4.843 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.236 -4.547 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.499 -4.751 6.911 1.00 0.00 H new ATOM 821 N GLU A 53 6.554 -0.141 7.226 1.00 0.00 N ATOM 822 CA GLU A 53 6.810 1.279 7.015 1.00 0.00 C ATOM 823 C GLU A 53 6.947 1.592 5.528 1.00 0.00 C ATOM 824 O GLU A 53 7.806 1.038 4.842 1.00 0.00 O ATOM 825 CB GLU A 53 8.078 1.707 7.757 1.00 0.00 C ATOM 826 CG GLU A 53 8.071 3.165 8.183 1.00 0.00 C ATOM 827 CD GLU A 53 8.912 3.416 9.419 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.430 2.436 9.994 1.00 0.00 O ATOM 829 OE2 GLU A 53 9.052 4.593 9.812 1.00 0.00 O ATOM 0 H GLU A 53 7.387 -0.696 7.420 1.00 0.00 H new ATOM 0 HA GLU A 53 5.961 1.838 7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.201 1.080 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.942 1.529 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.443 3.781 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.045 3.478 8.377 1.00 0.00 H new ATOM 836 N VAL A 54 6.093 2.484 5.036 1.00 0.00 N ATOM 837 CA VAL A 54 6.118 2.872 3.631 1.00 0.00 C ATOM 838 C VAL A 54 6.278 4.381 3.481 1.00 0.00 C ATOM 839 O VAL A 54 5.986 5.143 4.404 1.00 0.00 O ATOM 840 CB VAL A 54 4.835 2.429 2.903 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.920 0.960 2.517 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.613 2.690 3.771 1.00 0.00 C ATOM 0 H VAL A 54 5.375 2.951 5.590 1.00 0.00 H new ATOM 0 HA VAL A 54 6.974 2.371 3.180 1.00 0.00 H new ATOM 0 HB VAL A 54 4.736 3.015 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.005 0.665 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.773 0.806 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.044 0.354 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.715 2.371 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.702 2.131 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.545 3.755 3.992 1.00 0.00 H new ATOM 852 N LEU A 55 6.744 4.807 2.312 1.00 0.00 N ATOM 853 CA LEU A 55 6.944 6.226 2.039 1.00 0.00 C ATOM 854 C LEU A 55 6.036 6.696 0.907 1.00 0.00 C ATOM 855 O LEU A 55 6.112 6.192 -0.214 1.00 0.00 O ATOM 856 CB LEU A 55 8.406 6.496 1.681 1.00 0.00 C ATOM 857 CG LEU A 55 8.680 7.784 0.902 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.097 8.983 1.633 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.174 7.966 0.681 1.00 0.00 C ATOM 0 H LEU A 55 6.990 4.190 1.538 1.00 0.00 H new ATOM 0 HA LEU A 55 6.689 6.783 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.986 6.523 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.777 5.655 1.095 1.00 0.00 H new ATOM 0 HG LEU A 55 8.196 7.707 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.301 9.890 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.020 8.856 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.552 9.063 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.350 8.887 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.680 8.021 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.564 7.120 0.114 1.00 0.00 H new ATOM 871 N LEU A 56 5.178 7.665 1.207 1.00 0.00 N ATOM 872 CA LEU A 56 4.257 8.206 0.214 1.00 0.00 C ATOM 873 C LEU A 56 4.970 9.181 -0.717 1.00 0.00 C ATOM 874 O LEU A 56 4.472 10.275 -0.987 1.00 0.00 O ATOM 875 CB LEU A 56 3.085 8.906 0.904 1.00 0.00 C ATOM 876 CG LEU A 56 2.386 8.114 2.009 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.175 8.874 2.527 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.978 6.738 1.502 1.00 0.00 C ATOM 0 H LEU A 56 5.101 8.092 2.130 1.00 0.00 H new ATOM 0 HA LEU A 56 3.877 7.376 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.446 9.842 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.345 9.164 0.146 1.00 0.00 H new ATOM 0 HG LEU A 56 3.086 7.983 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.691 8.294 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.494 9.836 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.471 9.037 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.482 6.188 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.295 6.848 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.864 6.191 1.181 1.00 0.00 H new ATOM 890 N TYR A 57 6.137 8.777 -1.207 1.00 0.00 N ATOM 891 CA TYR A 57 6.918 9.615 -2.109 1.00 0.00 C ATOM 892 C TYR A 57 6.008 10.445 -3.008 1.00 0.00 C ATOM 893 O TYR A 57 6.307 11.598 -3.320 1.00 0.00 O ATOM 894 CB TYR A 57 7.849 8.753 -2.963 1.00 0.00 C ATOM 895 CG TYR A 57 7.140 7.629 -3.684 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.615 7.815 -4.957 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.996 6.379 -3.092 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.966 6.791 -5.619 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.350 5.349 -3.748 1.00 0.00 C ATOM 900 CZ TYR A 57 5.836 5.560 -5.010 1.00 0.00 C ATOM 901 OH TYR A 57 5.191 4.537 -5.667 1.00 0.00 O ATOM 0 H TYR A 57 6.563 7.875 -0.995 1.00 0.00 H new ATOM 0 HA TYR A 57 7.517 10.295 -1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.347 9.387 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.627 8.332 -2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.716 8.777 -5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.396 6.211 -2.103 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.563 6.953 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.248 4.384 -3.275 1.00 0.00 H new ATOM 0 HH TYR A 57 5.186 3.737 -5.101 1.00 0.00 H new ATOM 911 N ASP A 58 4.894 9.851 -3.422 1.00 0.00 N ATOM 912 CA ASP A 58 3.937 10.534 -4.284 1.00 0.00 C ATOM 913 C ASP A 58 3.597 11.915 -3.732 1.00 0.00 C ATOM 914 O ASP A 58 3.713 12.921 -4.432 1.00 0.00 O ATOM 915 CB ASP A 58 2.663 9.701 -4.429 1.00 0.00 C ATOM 916 CG ASP A 58 2.210 9.103 -3.112 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.970 8.299 -2.532 1.00 0.00 O ATOM 918 OD2 ASP A 58 1.095 9.439 -2.660 1.00 0.00 O ATOM 0 H ASP A 58 4.632 8.897 -3.174 1.00 0.00 H new ATOM 0 HA ASP A 58 4.394 10.658 -5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.867 10.327 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.836 8.900 -5.148 1.00 0.00 H new ATOM 923 N VAL A 59 3.175 11.955 -2.472 1.00 0.00 N ATOM 924 CA VAL A 59 2.818 13.212 -1.825 1.00 0.00 C ATOM 925 C VAL A 59 3.989 13.771 -1.025 1.00 0.00 C ATOM 926 O VAL A 59 4.258 14.971 -1.055 1.00 0.00 O ATOM 927 CB VAL A 59 1.608 13.036 -0.888 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.388 12.577 -1.672 1.00 0.00 C ATOM 929 CG2 VAL A 59 1.936 12.055 0.227 1.00 0.00 C ATOM 0 H VAL A 59 3.072 11.131 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 59 2.556 13.913 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 59 1.377 14.000 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.457 12.458 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.142 13.320 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.603 11.623 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.070 11.943 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.194 11.087 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.780 12.431 0.806 1.00 0.00 H new ATOM 939 N GLY A 60 4.684 12.891 -0.310 1.00 0.00 N ATOM 940 CA GLY A 60 5.819 13.315 0.488 1.00 0.00 C ATOM 941 C GLY A 60 5.559 13.194 1.977 1.00 0.00 C ATOM 942 O GLY A 60 5.795 14.136 2.734 1.00 0.00 O ATOM 0 H GLY A 60 4.481 11.892 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.689 12.714 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.062 14.350 0.248 1.00 0.00 H new ATOM 946 N VAL A 61 5.070 12.032 2.398 1.00 0.00 N ATOM 947 CA VAL A 61 4.777 11.791 3.806 1.00 0.00 C ATOM 948 C VAL A 61 5.233 10.400 4.231 1.00 0.00 C ATOM 949 O VAL A 61 4.861 9.400 3.618 1.00 0.00 O ATOM 950 CB VAL A 61 3.272 11.939 4.099 1.00 0.00 C ATOM 951 CG1 VAL A 61 2.939 11.379 5.473 1.00 0.00 C ATOM 952 CG2 VAL A 61 2.849 13.396 3.991 1.00 0.00 C ATOM 0 H VAL A 61 4.868 11.243 1.784 1.00 0.00 H new ATOM 0 HA VAL A 61 5.326 12.540 4.377 1.00 0.00 H new ATOM 0 HB VAL A 61 2.716 11.368 3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.872 11.492 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.204 10.322 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.502 11.921 6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.783 13.482 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.410 13.992 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.051 13.760 2.983 1.00 0.00 H new ATOM 962 N GLU A 62 6.040 10.345 5.286 1.00 0.00 N ATOM 963 CA GLU A 62 6.547 9.075 5.794 1.00 0.00 C ATOM 964 C GLU A 62 5.632 8.520 6.882 1.00 0.00 C ATOM 965 O GLU A 62 5.427 9.153 7.919 1.00 0.00 O ATOM 966 CB GLU A 62 7.964 9.249 6.343 1.00 0.00 C ATOM 967 CG GLU A 62 8.934 9.856 5.344 1.00 0.00 C ATOM 968 CD GLU A 62 10.121 10.522 6.013 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.028 11.730 6.318 1.00 0.00 O ATOM 970 OE2 GLU A 62 11.141 9.837 6.231 1.00 0.00 O ATOM 0 H GLU A 62 6.357 11.164 5.805 1.00 0.00 H new ATOM 0 HA GLU A 62 6.571 8.366 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.926 9.882 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.343 8.278 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.291 9.077 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.408 10.589 4.732 1.00 0.00 H new ATOM 977 N LEU A 63 5.085 7.334 6.639 1.00 0.00 N ATOM 978 CA LEU A 63 4.191 6.693 7.598 1.00 0.00 C ATOM 979 C LEU A 63 4.263 5.174 7.477 1.00 0.00 C ATOM 980 O LEU A 63 4.923 4.642 6.584 1.00 0.00 O ATOM 981 CB LEU A 63 2.753 7.167 7.379 1.00 0.00 C ATOM 982 CG LEU A 63 1.891 6.296 6.464 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.474 6.842 6.387 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.508 6.209 5.076 1.00 0.00 C ATOM 0 H LEU A 63 5.245 6.797 5.787 1.00 0.00 H new ATOM 0 HA LEU A 63 4.511 6.974 8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.262 7.235 8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.783 8.175 6.965 1.00 0.00 H new ATOM 0 HG LEU A 63 1.848 5.291 6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.125 6.209 5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.033 6.852 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.496 7.857 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.882 5.585 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.581 7.208 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.503 5.771 5.147 1.00 0.00 H new ATOM 996 N VAL A 64 3.576 4.481 8.379 1.00 0.00 N ATOM 997 CA VAL A 64 3.559 3.023 8.372 1.00 0.00 C ATOM 998 C VAL A 64 2.137 2.490 8.508 1.00 0.00 C ATOM 999 O VAL A 64 1.402 2.876 9.417 1.00 0.00 O ATOM 1000 CB VAL A 64 4.423 2.446 9.509 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.032 3.064 10.843 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.296 0.931 9.557 1.00 0.00 C ATOM 0 H VAL A 64 3.024 4.906 9.124 1.00 0.00 H new ATOM 0 HA VAL A 64 3.973 2.706 7.415 1.00 0.00 H new ATOM 0 HB VAL A 64 5.466 2.695 9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.653 2.644 11.634 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.178 4.143 10.801 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.984 2.848 11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.913 0.540 10.366 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.255 0.658 9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.629 0.508 8.609 1.00 0.00 H new ATOM 1012 N VAL A 65 1.755 1.600 7.598 1.00 0.00 N ATOM 1013 CA VAL A 65 0.421 1.011 7.616 1.00 0.00 C ATOM 1014 C VAL A 65 0.490 -0.501 7.801 1.00 0.00 C ATOM 1015 O VAL A 65 1.568 -1.092 7.764 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.348 1.324 6.319 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.268 2.808 5.996 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.189 0.489 5.167 1.00 0.00 C ATOM 0 H VAL A 65 2.351 1.271 6.838 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.109 1.453 8.460 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.396 1.065 6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.817 3.010 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.705 3.382 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.775 3.097 5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.366 0.723 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.245 0.714 5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.074 -0.570 5.400 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.669 -1.120 7.999 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.740 -2.564 8.190 1.00 0.00 C ATOM 1030 C ASN A 66 -0.778 -3.289 6.848 1.00 0.00 C ATOM 1031 O ASN A 66 -1.526 -2.911 5.947 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.976 -2.930 9.014 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.769 -4.184 9.843 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.783 -4.304 10.571 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.699 -5.125 9.734 1.00 0.00 N ATOM 0 H ASN A 66 -1.571 -0.645 8.031 1.00 0.00 H new ATOM 0 HA ASN A 66 0.154 -2.879 8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.228 -2.100 9.673 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.825 -3.076 8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.613 -5.991 10.266 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.499 -4.982 9.118 1.00 0.00 H new ATOM 1042 N VAL A 67 0.035 -4.333 6.723 1.00 0.00 N ATOM 1043 CA VAL A 67 0.095 -5.113 5.492 1.00 0.00 C ATOM 1044 C VAL A 67 -1.303 -5.464 4.996 1.00 0.00 C ATOM 1045 O VAL A 67 -1.498 -5.762 3.817 1.00 0.00 O ATOM 1046 CB VAL A 67 0.899 -6.412 5.689 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.352 -6.097 6.009 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.275 -7.264 6.784 1.00 0.00 C ATOM 0 H VAL A 67 0.661 -4.658 7.459 1.00 0.00 H new ATOM 0 HA VAL A 67 0.597 -4.493 4.749 1.00 0.00 H new ATOM 0 HB VAL A 67 0.872 -6.980 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.904 -7.027 6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.791 -5.531 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.403 -5.507 6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.856 -8.178 6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.269 -6.706 7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.748 -7.520 6.508 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.274 -5.425 5.902 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.656 -5.737 5.557 1.00 0.00 C ATOM 1060 C ASP A 68 -4.192 -4.754 4.521 1.00 0.00 C ATOM 1061 O ASP A 68 -4.942 -5.133 3.620 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.535 -5.711 6.808 1.00 0.00 C ATOM 1063 CG ASP A 68 -4.391 -6.967 7.644 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -3.757 -7.929 7.163 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -4.911 -6.988 8.779 1.00 0.00 O ATOM 0 H ASP A 68 -2.129 -5.180 6.882 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.681 -6.738 5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.274 -4.843 7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.578 -5.592 6.513 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.806 -3.491 4.657 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.249 -2.452 3.734 1.00 0.00 C ATOM 1072 C CYS A 69 -3.343 -2.389 2.509 1.00 0.00 C ATOM 1073 O CYS A 69 -3.761 -1.955 1.435 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.274 -1.093 4.436 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.811 -0.748 5.323 1.00 0.00 S ATOM 0 H CYS A 69 -3.187 -3.161 5.398 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.258 -2.701 3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.443 -1.044 5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.111 -0.310 3.695 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.735 0.422 5.885 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.098 -2.822 2.678 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.130 -2.814 1.587 1.00 0.00 C ATOM 1083 C LEU A 70 -1.579 -3.732 0.454 1.00 0.00 C ATOM 1084 O LEU A 70 -2.083 -4.829 0.694 1.00 0.00 O ATOM 1085 CB LEU A 70 0.245 -3.248 2.096 1.00 0.00 C ATOM 1086 CG LEU A 70 0.964 -2.258 3.014 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.329 -2.797 3.415 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.101 -0.903 2.336 1.00 0.00 C ATOM 0 H LEU A 70 -1.735 -3.183 3.560 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.063 -1.797 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.131 -4.191 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.884 -3.444 1.235 1.00 0.00 H new ATOM 0 HG LEU A 70 0.367 -2.130 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.826 -2.080 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.206 -3.743 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.934 -2.955 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.615 -0.212 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.675 -1.013 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.111 -0.512 2.101 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.391 -3.276 -0.780 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.776 -4.056 -1.950 1.00 0.00 C ATOM 1102 C ARG A 71 -0.670 -4.040 -3.001 1.00 0.00 C ATOM 1103 O ARG A 71 0.131 -3.107 -3.062 1.00 0.00 O ATOM 1104 CB ARG A 71 -3.073 -3.511 -2.550 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.321 -3.951 -1.803 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.711 -5.376 -2.161 1.00 0.00 C ATOM 1107 NE ARG A 71 -3.963 -6.360 -1.383 1.00 0.00 N ATOM 1108 CZ ARG A 71 -4.069 -6.489 -0.065 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -4.888 -5.701 0.618 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -3.355 -7.408 0.573 1.00 0.00 N ATOM 0 H ARG A 71 -0.974 -2.370 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.937 -5.086 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.030 -2.422 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.148 -3.835 -3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.148 -3.879 -0.729 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.144 -3.277 -2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.779 -5.514 -1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.535 -5.544 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.324 -6.982 -1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.439 -4.994 0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.967 -5.802 1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.724 -8.016 0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.437 -7.506 1.585 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.631 -5.080 -3.827 1.00 0.00 N ATOM 1125 CA LYS A 72 0.375 -5.187 -4.877 1.00 0.00 C ATOM 1126 C LYS A 72 0.129 -4.154 -5.973 1.00 0.00 C ATOM 1127 O LYS A 72 -0.909 -4.173 -6.636 1.00 0.00 O ATOM 1128 CB LYS A 72 0.368 -6.595 -5.478 1.00 0.00 C ATOM 1129 CG LYS A 72 0.656 -7.689 -4.465 1.00 0.00 C ATOM 1130 CD LYS A 72 0.852 -9.036 -5.140 1.00 0.00 C ATOM 1131 CE LYS A 72 2.294 -9.232 -5.583 1.00 0.00 C ATOM 1132 NZ LYS A 72 2.539 -8.665 -6.938 1.00 0.00 N ATOM 0 H LYS A 72 -1.285 -5.862 -3.789 1.00 0.00 H new ATOM 0 HA LYS A 72 1.351 -4.994 -4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.604 -6.781 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.110 -6.645 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.549 -7.433 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.168 -7.754 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.570 -9.833 -4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.191 -9.111 -6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.962 -8.758 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.532 -10.296 -5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.225 -9.260 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.646 -8.637 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.918 -7.701 -6.848 1.00 0.00 H new ATOM 1146 N LEU A 73 1.090 -3.256 -6.159 1.00 0.00 N ATOM 1147 CA LEU A 73 0.978 -2.217 -7.177 1.00 0.00 C ATOM 1148 C LEU A 73 1.022 -2.818 -8.577 1.00 0.00 C ATOM 1149 O LEU A 73 2.096 -3.088 -9.114 1.00 0.00 O ATOM 1150 CB LEU A 73 2.104 -1.193 -7.014 1.00 0.00 C ATOM 1151 CG LEU A 73 1.891 0.155 -7.703 1.00 0.00 C ATOM 1152 CD1 LEU A 73 1.155 1.115 -6.783 1.00 0.00 C ATOM 1153 CD2 LEU A 73 3.223 0.747 -8.140 1.00 0.00 C ATOM 0 H LEU A 73 1.955 -3.226 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 73 0.018 -1.718 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.254 -1.014 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.025 -1.632 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 73 1.279 -0.005 -8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.013 2.069 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.184 0.695 -6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.740 1.270 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.052 1.706 -8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.860 0.892 -7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.712 0.067 -8.837 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.153 -3.024 -9.164 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.248 -3.593 -10.504 1.00 0.00 C ATOM 1167 C GLU A 74 0.424 -2.684 -11.530 1.00 0.00 C ATOM 1168 O GLU A 74 0.615 -1.493 -11.287 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.713 -3.816 -10.885 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.288 -5.118 -10.356 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.469 -6.327 -10.766 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -1.528 -6.709 -11.954 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -0.770 -6.891 -9.899 1.00 0.00 O ATOM 0 H GLU A 74 -1.052 -2.806 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 74 0.269 -4.553 -10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.309 -2.985 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.803 -3.804 -11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.341 -5.072 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.309 -5.235 -10.720 1.00 0.00 H new ATOM 1180 N GLU A 75 0.779 -3.256 -12.676 1.00 0.00 N ATOM 1181 CA GLU A 75 1.430 -2.498 -13.737 1.00 0.00 C ATOM 1182 C GLU A 75 0.433 -1.583 -14.443 1.00 0.00 C ATOM 1183 O GLU A 75 0.692 -0.396 -14.634 1.00 0.00 O ATOM 1184 CB GLU A 75 2.074 -3.446 -14.751 1.00 0.00 C ATOM 1185 CG GLU A 75 3.025 -2.755 -15.713 1.00 0.00 C ATOM 1186 CD GLU A 75 4.037 -3.708 -16.319 1.00 0.00 C ATOM 1187 OE1 GLU A 75 4.774 -4.359 -15.548 1.00 0.00 O ATOM 1188 OE2 GLU A 75 4.093 -3.803 -17.562 1.00 0.00 O ATOM 0 H GLU A 75 0.627 -4.241 -12.893 1.00 0.00 H new ATOM 0 HA GLU A 75 2.206 -1.881 -13.283 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.616 -4.224 -14.214 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.289 -3.941 -15.323 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.450 -2.285 -16.511 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.551 -1.958 -15.188 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.708 -2.146 -14.827 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.744 -1.382 -15.513 1.00 0.00 C ATOM 1197 C ASN A 76 -2.055 -0.091 -14.762 1.00 0.00 C ATOM 1198 O ASN A 76 -1.998 1.001 -15.330 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.016 -2.221 -15.655 1.00 0.00 C ATOM 1200 CG ASN A 76 -4.215 -1.387 -16.062 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -4.369 -1.030 -17.230 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -5.073 -1.074 -15.098 1.00 0.00 N ATOM 0 H ASN A 76 -0.939 -3.128 -14.675 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.374 -1.124 -16.505 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.852 -3.003 -16.397 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.227 -2.719 -14.709 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.900 -0.516 -15.312 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.905 -1.392 -14.143 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.382 -0.222 -13.481 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.701 0.934 -12.650 1.00 0.00 C ATOM 1211 C LEU A 77 -1.531 1.911 -12.604 1.00 0.00 C ATOM 1212 O LEU A 77 -1.724 3.125 -12.540 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.062 0.485 -11.233 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.258 -0.461 -11.112 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.475 -0.863 -9.662 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.510 0.190 -11.681 1.00 0.00 C ATOM 0 H LEU A 77 -2.433 -1.117 -12.995 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.558 1.443 -13.092 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.192 -0.004 -10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.264 1.372 -10.633 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.046 -1.361 -11.689 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.330 -1.536 -9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.585 -1.369 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.666 0.027 -9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.352 -0.496 -11.587 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.726 1.106 -11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.351 0.427 -12.733 1.00 0.00 H new