USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 478 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 43 SER OG : rot 180:sc= -0.16 USER MOD Set 1.2: A 45 ASN : amide:sc= 0 X(o=-0.16,f=-0.16) USER MOD Set 2.1: A 21 MET CE :methyl -178:sc= -3.23 (180deg=-3.39) USER MOD Set 2.2: A 25 MET CE :methyl -132:sc= -7.07! (180deg=-12.4!) USER MOD Single : A 16 GLN : amide:sc=-0.00974 X(o=-0.0097,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 22 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.0055) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.76! USER MOD Single : A 27 SER OG : rot -38:sc= 0.132 USER MOD Single : A 33 CYS SG : rot 180:sc= 0.254 USER MOD Single : A 36 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-2.5) USER MOD Single : A 37 ASN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -88:sc= 0.132 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -15:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.059 K(o=-0.059,f=-0.57) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 30:sc= -0.326 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.178 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 1.823 -3.088 -4.970 1.00 0.00 N ATOM 31 CA GLN A 16 3.158 -3.654 -5.073 1.00 0.00 C ATOM 32 C GLN A 16 3.649 -3.593 -6.521 1.00 0.00 C ATOM 33 O GLN A 16 4.831 -3.361 -6.770 1.00 0.00 O ATOM 34 CB GLN A 16 3.188 -5.089 -4.544 1.00 0.00 C ATOM 35 CG GLN A 16 2.696 -5.149 -3.096 1.00 0.00 C ATOM 36 CD GLN A 16 2.189 -6.550 -2.748 1.00 0.00 C ATOM 37 OE1 GLN A 16 2.945 -7.501 -2.632 1.00 0.00 O ATOM 38 NE2 GLN A 16 0.871 -6.624 -2.587 1.00 0.00 N ATOM 0 HA GLN A 16 3.832 -3.060 -4.455 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.563 -5.725 -5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.203 -5.481 -4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.506 -4.873 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.897 -4.422 -2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.296 -5.789 -2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.435 -7.516 -2.352 1.00 0.00 H new ATOM 47 N GLU A 17 2.717 -3.806 -7.438 1.00 0.00 N ATOM 48 CA GLU A 17 3.041 -3.779 -8.855 1.00 0.00 C ATOM 49 C GLU A 17 3.798 -2.495 -9.201 1.00 0.00 C ATOM 50 O GLU A 17 4.762 -2.526 -9.965 1.00 0.00 O ATOM 51 CB GLU A 17 1.779 -3.918 -9.708 1.00 0.00 C ATOM 52 CG GLU A 17 2.018 -3.404 -11.129 1.00 0.00 C ATOM 53 CD GLU A 17 1.141 -4.149 -12.137 1.00 0.00 C ATOM 54 OE1 GLU A 17 0.436 -5.098 -11.763 1.00 0.00 O ATOM 55 OE2 GLU A 17 1.207 -3.709 -13.348 1.00 0.00 O ATOM 0 H GLU A 17 1.738 -3.998 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 17 3.686 -4.629 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.472 -4.963 -9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.962 -3.361 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.803 -2.336 -11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.068 -3.529 -11.393 1.00 0.00 H new ATOM 63 N GLN A 18 3.334 -1.397 -8.623 1.00 0.00 N ATOM 64 CA GLN A 18 3.955 -0.106 -8.861 1.00 0.00 C ATOM 65 C GLN A 18 5.433 -0.147 -8.467 1.00 0.00 C ATOM 66 O GLN A 18 6.259 0.535 -9.070 1.00 0.00 O ATOM 67 CB GLN A 18 3.218 1.004 -8.109 1.00 0.00 C ATOM 68 CG GLN A 18 2.013 1.502 -8.910 1.00 0.00 C ATOM 69 CD GLN A 18 1.218 2.540 -8.115 1.00 0.00 C ATOM 70 OE1 GLN A 18 1.741 3.247 -7.269 1.00 0.00 O ATOM 71 NE2 GLN A 18 -0.072 2.593 -8.433 1.00 0.00 N ATOM 0 H GLN A 18 2.535 -1.375 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 18 3.889 0.116 -9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.886 0.633 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.899 1.833 -7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.352 1.939 -9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.368 0.661 -9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.446 1.973 -9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.687 3.254 -7.959 1.00 0.00 H new ATOM 80 N TRP A 19 5.721 -0.955 -7.457 1.00 0.00 N ATOM 81 CA TRP A 19 7.085 -1.094 -6.975 1.00 0.00 C ATOM 82 C TRP A 19 7.919 -1.723 -8.093 1.00 0.00 C ATOM 83 O TRP A 19 9.077 -1.358 -8.288 1.00 0.00 O ATOM 84 CB TRP A 19 7.127 -1.897 -5.674 1.00 0.00 C ATOM 85 CG TRP A 19 8.485 -1.869 -4.969 1.00 0.00 C ATOM 86 CD1 TRP A 19 9.030 -0.865 -4.268 1.00 0.00 C ATOM 87 CD2 TRP A 19 9.453 -2.939 -4.924 1.00 0.00 C ATOM 88 NE1 TRP A 19 10.273 -1.208 -3.778 1.00 0.00 N ATOM 89 CE2 TRP A 19 10.539 -2.509 -4.189 1.00 0.00 C ATOM 90 CE3 TRP A 19 9.412 -4.227 -5.487 1.00 0.00 C ATOM 91 CZ2 TRP A 19 11.665 -3.305 -3.949 1.00 0.00 C ATOM 92 CZ3 TRP A 19 10.545 -5.010 -5.237 1.00 0.00 C ATOM 93 CH2 TRP A 19 11.647 -4.592 -4.499 1.00 0.00 C ATOM 0 H TRP A 19 5.033 -1.520 -6.959 1.00 0.00 H new ATOM 0 HA TRP A 19 7.509 -0.120 -6.730 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.368 -1.508 -4.995 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.862 -2.932 -5.889 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.556 0.092 -4.107 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.885 -0.615 -3.217 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.573 -4.584 -6.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 12.503 -2.945 -3.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.565 -6.009 -5.646 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.485 -5.257 -4.351 1.00 0.00 H new ATOM 104 N ALA A 20 7.297 -2.657 -8.798 1.00 0.00 N ATOM 105 CA ALA A 20 7.968 -3.339 -9.891 1.00 0.00 C ATOM 106 C ALA A 20 8.321 -2.325 -10.981 1.00 0.00 C ATOM 107 O ALA A 20 9.415 -2.365 -11.541 1.00 0.00 O ATOM 108 CB ALA A 20 7.076 -4.468 -10.413 1.00 0.00 C ATOM 0 H ALA A 20 6.336 -2.957 -8.633 1.00 0.00 H new ATOM 0 HA ALA A 20 8.899 -3.790 -9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.579 -4.980 -11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.879 -5.177 -9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.133 -4.052 -10.769 1.00 0.00 H new ATOM 114 N MET A 21 7.373 -1.438 -11.249 1.00 0.00 N ATOM 115 CA MET A 21 7.570 -0.415 -12.261 1.00 0.00 C ATOM 116 C MET A 21 8.890 0.326 -12.042 1.00 0.00 C ATOM 117 O MET A 21 9.424 0.938 -12.966 1.00 0.00 O ATOM 118 CB MET A 21 6.410 0.582 -12.212 1.00 0.00 C ATOM 119 CG MET A 21 5.085 -0.100 -12.559 1.00 0.00 C ATOM 120 SD MET A 21 3.764 1.100 -12.563 1.00 0.00 S ATOM 121 CE MET A 21 3.930 1.738 -14.221 1.00 0.00 C ATOM 0 H MET A 21 6.467 -1.407 -10.782 1.00 0.00 H new ATOM 0 HA MET A 21 7.604 -0.898 -13.237 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.347 1.023 -11.217 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.597 1.398 -12.911 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.157 -0.577 -13.536 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.871 -0.887 -11.835 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.198 2.530 -14.381 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.934 2.139 -14.358 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.759 0.935 -14.938 1.00 0.00 H new ATOM 131 N GLN A 22 9.380 0.247 -10.813 1.00 0.00 N ATOM 132 CA GLN A 22 10.628 0.902 -10.461 1.00 0.00 C ATOM 133 C GLN A 22 11.656 0.723 -11.580 1.00 0.00 C ATOM 134 O GLN A 22 11.821 1.603 -12.423 1.00 0.00 O ATOM 135 CB GLN A 22 11.168 0.375 -9.130 1.00 0.00 C ATOM 136 CG GLN A 22 12.509 1.026 -8.786 1.00 0.00 C ATOM 137 CD GLN A 22 12.819 0.886 -7.294 1.00 0.00 C ATOM 138 OE1 GLN A 22 13.795 0.275 -6.892 1.00 0.00 O ATOM 139 NE2 GLN A 22 11.937 1.485 -6.500 1.00 0.00 N ATOM 0 H GLN A 22 8.935 -0.261 -10.049 1.00 0.00 H new ATOM 0 HA GLN A 22 10.434 1.968 -10.340 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.448 0.576 -8.336 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.288 -0.707 -9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.303 0.563 -9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.486 2.081 -9.059 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.142 1.980 -6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.056 1.450 -5.488 1.00 0.00 H new ATOM 148 N THR A 23 12.320 -0.423 -11.551 1.00 0.00 N ATOM 149 CA THR A 23 13.328 -0.730 -12.552 1.00 0.00 C ATOM 150 C THR A 23 12.682 -0.874 -13.932 1.00 0.00 C ATOM 151 O THR A 23 13.139 -0.271 -14.901 1.00 0.00 O ATOM 152 CB THR A 23 14.079 -1.983 -12.099 1.00 0.00 C ATOM 153 OG1 THR A 23 14.990 -2.246 -13.162 1.00 0.00 O ATOM 154 CG2 THR A 23 13.182 -3.222 -12.062 1.00 0.00 C ATOM 0 H THR A 23 12.180 -1.151 -10.850 1.00 0.00 H new ATOM 0 HA THR A 23 14.050 0.081 -12.648 1.00 0.00 H new ATOM 0 HB THR A 23 14.504 -1.813 -11.110 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.519 -3.043 -12.950 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.764 -4.083 -11.734 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.359 -3.055 -11.367 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.783 -3.412 -13.058 1.00 0.00 H new ATOM 162 N LEU A 24 11.629 -1.677 -13.975 1.00 0.00 N ATOM 163 CA LEU A 24 10.915 -1.908 -15.220 1.00 0.00 C ATOM 164 C LEU A 24 10.844 -0.601 -16.012 1.00 0.00 C ATOM 165 O LEU A 24 11.467 -0.474 -17.065 1.00 0.00 O ATOM 166 CB LEU A 24 9.547 -2.536 -14.945 1.00 0.00 C ATOM 167 CG LEU A 24 8.698 -2.860 -16.176 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.845 -4.108 -15.940 1.00 0.00 C ATOM 169 CD2 LEU A 24 7.851 -1.656 -16.590 1.00 0.00 C ATOM 0 H LEU A 24 11.253 -2.176 -13.169 1.00 0.00 H new ATOM 0 HA LEU A 24 11.451 -2.627 -15.839 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.699 -3.456 -14.380 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.981 -1.859 -14.305 1.00 0.00 H new ATOM 0 HG LEU A 24 9.369 -3.081 -17.006 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.251 -4.316 -16.830 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.494 -4.958 -15.730 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.181 -3.940 -15.092 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.257 -1.913 -17.467 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.187 -1.379 -15.771 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.504 -0.816 -16.827 1.00 0.00 H new ATOM 181 N MET A 25 10.078 0.338 -15.475 1.00 0.00 N ATOM 182 CA MET A 25 9.918 1.631 -16.119 1.00 0.00 C ATOM 183 C MET A 25 11.180 2.482 -15.964 1.00 0.00 C ATOM 184 O MET A 25 11.429 3.380 -16.765 1.00 0.00 O ATOM 185 CB MET A 25 8.727 2.365 -15.499 1.00 0.00 C ATOM 186 CG MET A 25 9.186 3.616 -14.747 1.00 0.00 C ATOM 187 SD MET A 25 7.802 4.362 -13.902 1.00 0.00 S ATOM 188 CE MET A 25 6.784 4.802 -15.301 1.00 0.00 C ATOM 0 H MET A 25 9.562 0.229 -14.602 1.00 0.00 H new ATOM 0 HA MET A 25 9.743 1.467 -17.182 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.021 2.645 -16.281 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.200 1.699 -14.816 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.963 3.354 -14.029 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.624 4.330 -15.445 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.449 5.834 -15.197 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.363 4.699 -16.219 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.918 4.142 -15.343 1.00 0.00 H new ATOM 198 N GLY A 26 11.942 2.168 -14.927 1.00 0.00 N ATOM 199 CA GLY A 26 13.172 2.892 -14.656 1.00 0.00 C ATOM 200 C GLY A 26 14.244 2.561 -15.696 1.00 0.00 C ATOM 201 O GLY A 26 15.302 3.188 -15.724 1.00 0.00 O ATOM 0 H GLY A 26 11.731 1.422 -14.264 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.975 3.964 -14.660 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.536 2.638 -13.660 1.00 0.00 H new ATOM 205 N SER A 27 13.933 1.576 -16.526 1.00 0.00 N ATOM 206 CA SER A 27 14.857 1.154 -17.565 1.00 0.00 C ATOM 207 C SER A 27 15.088 2.297 -18.556 1.00 0.00 C ATOM 208 O SER A 27 15.966 2.211 -19.413 1.00 0.00 O ATOM 209 CB SER A 27 14.334 -0.084 -18.297 1.00 0.00 C ATOM 210 OG SER A 27 15.313 -0.642 -19.169 1.00 0.00 O ATOM 0 H SER A 27 13.055 1.058 -16.500 1.00 0.00 H new ATOM 0 HA SER A 27 15.805 0.892 -17.094 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.028 -0.834 -17.568 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.447 0.182 -18.871 1.00 0.00 H new ATOM 0 HG SER A 27 15.818 0.080 -19.599 1.00 0.00 H new ATOM 216 N GLY A 28 14.286 3.340 -18.404 1.00 0.00 N ATOM 217 CA GLY A 28 14.393 4.499 -19.274 1.00 0.00 C ATOM 218 C GLY A 28 13.354 4.440 -20.396 1.00 0.00 C ATOM 219 O GLY A 28 13.371 5.266 -21.307 1.00 0.00 O ATOM 0 H GLY A 28 13.559 3.407 -17.691 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.253 5.410 -18.691 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.394 4.545 -19.703 1.00 0.00 H new ATOM 223 N VAL A 29 12.474 3.454 -20.293 1.00 0.00 N ATOM 224 CA VAL A 29 11.430 3.276 -21.288 1.00 0.00 C ATOM 225 C VAL A 29 10.372 4.367 -21.111 1.00 0.00 C ATOM 226 O VAL A 29 9.942 4.984 -22.085 1.00 0.00 O ATOM 227 CB VAL A 29 10.852 1.863 -21.193 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.505 1.772 -21.911 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.838 0.830 -21.742 1.00 0.00 C ATOM 0 H VAL A 29 12.463 2.771 -19.536 1.00 0.00 H new ATOM 0 HA VAL A 29 11.839 3.379 -22.293 1.00 0.00 H new ATOM 0 HB VAL A 29 10.685 1.639 -20.139 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.116 0.757 -21.828 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.802 2.468 -21.454 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.636 2.026 -22.963 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.403 -0.166 -21.663 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.051 1.051 -22.788 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.763 0.869 -21.167 1.00 0.00 H new ATOM 239 N LEU A 30 9.983 4.573 -19.861 1.00 0.00 N ATOM 240 CA LEU A 30 8.984 5.579 -19.545 1.00 0.00 C ATOM 241 C LEU A 30 9.677 6.820 -18.978 1.00 0.00 C ATOM 242 O LEU A 30 10.897 6.837 -18.823 1.00 0.00 O ATOM 243 CB LEU A 30 7.913 4.998 -18.620 1.00 0.00 C ATOM 244 CG LEU A 30 6.814 4.178 -19.299 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.053 3.328 -18.279 1.00 0.00 C ATOM 246 CD2 LEU A 30 5.877 5.078 -20.107 1.00 0.00 C ATOM 0 H LEU A 30 10.342 4.060 -19.056 1.00 0.00 H new ATOM 0 HA LEU A 30 8.459 5.891 -20.448 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.404 4.367 -17.879 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.444 5.820 -18.079 1.00 0.00 H new ATOM 0 HG LEU A 30 7.286 3.492 -20.002 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.278 2.756 -18.788 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.745 2.644 -17.787 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.594 3.978 -17.534 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.106 4.470 -20.579 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.410 5.806 -19.444 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.447 5.601 -20.875 1.00 0.00 H new ATOM 258 N ALA A 31 8.869 7.828 -18.685 1.00 0.00 N ATOM 259 CA ALA A 31 9.389 9.070 -18.139 1.00 0.00 C ATOM 260 C ALA A 31 8.688 9.373 -16.813 1.00 0.00 C ATOM 261 O ALA A 31 7.477 9.195 -16.693 1.00 0.00 O ATOM 262 CB ALA A 31 9.210 10.193 -19.163 1.00 0.00 C ATOM 0 H ALA A 31 7.858 7.810 -18.815 1.00 0.00 H new ATOM 0 HA ALA A 31 10.456 8.982 -17.935 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.600 11.125 -18.753 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.751 9.943 -20.075 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.151 10.312 -19.391 1.00 0.00 H new ATOM 268 N ARG A 32 9.480 9.826 -15.852 1.00 0.00 N ATOM 269 CA ARG A 32 8.950 10.155 -14.540 1.00 0.00 C ATOM 270 C ARG A 32 9.314 11.594 -14.167 1.00 0.00 C ATOM 271 O ARG A 32 10.293 12.141 -14.671 1.00 0.00 O ATOM 272 CB ARG A 32 9.496 9.205 -13.472 1.00 0.00 C ATOM 273 CG ARG A 32 9.291 7.745 -13.880 1.00 0.00 C ATOM 274 CD ARG A 32 10.510 7.209 -14.633 1.00 0.00 C ATOM 275 NE ARG A 32 11.500 6.669 -13.675 1.00 0.00 N ATOM 276 CZ ARG A 32 12.772 6.389 -13.988 1.00 0.00 C ATOM 277 NH1 ARG A 32 13.217 6.596 -15.234 1.00 0.00 N ATOM 278 NH2 ARG A 32 13.600 5.902 -13.053 1.00 0.00 N ATOM 0 H ARG A 32 10.484 9.973 -15.956 1.00 0.00 H new ATOM 0 HA ARG A 32 7.866 10.050 -14.584 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.558 9.397 -13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.996 9.394 -12.522 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.111 7.138 -12.993 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.405 7.661 -14.509 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.203 6.429 -15.330 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.961 8.005 -15.225 1.00 0.00 H new ATOM 0 HE ARG A 32 11.195 6.499 -12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.587 6.967 -15.945 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.186 6.383 -15.472 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.261 5.745 -12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.569 5.689 -13.291 1.00 0.00 H new ATOM 292 N CYS A 33 8.505 12.165 -13.286 1.00 0.00 N ATOM 293 CA CYS A 33 8.729 13.529 -12.839 1.00 0.00 C ATOM 294 C CYS A 33 9.714 13.496 -11.670 1.00 0.00 C ATOM 295 O CYS A 33 9.593 12.662 -10.774 1.00 0.00 O ATOM 296 CB CYS A 33 7.418 14.223 -12.462 1.00 0.00 C ATOM 297 SG CYS A 33 7.724 15.995 -12.121 1.00 0.00 S ATOM 0 H CYS A 33 7.694 11.708 -12.870 1.00 0.00 H new ATOM 0 HA CYS A 33 9.153 14.116 -13.653 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.696 14.119 -13.272 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.983 13.745 -11.584 1.00 0.00 H new ATOM 0 HG CYS A 33 6.605 16.575 -11.804 1.00 0.00 H new ATOM 302 N ARG A 34 10.668 14.415 -11.715 1.00 0.00 N ATOM 303 CA ARG A 34 11.674 14.501 -10.670 1.00 0.00 C ATOM 304 C ARG A 34 11.008 14.700 -9.307 1.00 0.00 C ATOM 305 O ARG A 34 11.619 14.445 -8.270 1.00 0.00 O ATOM 306 CB ARG A 34 12.641 15.658 -10.930 1.00 0.00 C ATOM 307 CG ARG A 34 13.743 15.701 -9.870 1.00 0.00 C ATOM 308 CD ARG A 34 14.661 14.483 -9.983 1.00 0.00 C ATOM 309 NE ARG A 34 16.021 14.828 -9.512 1.00 0.00 N ATOM 310 CZ ARG A 34 16.408 14.775 -8.231 1.00 0.00 C ATOM 311 NH1 ARG A 34 15.541 14.389 -7.284 1.00 0.00 N ATOM 312 NH2 ARG A 34 17.662 15.107 -7.895 1.00 0.00 N ATOM 0 H ARG A 34 10.765 15.106 -12.459 1.00 0.00 H new ATOM 0 HA ARG A 34 12.234 13.566 -10.672 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.087 15.549 -11.919 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.094 16.601 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.328 16.613 -9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.296 15.733 -8.877 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.261 13.660 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.701 14.142 -11.018 1.00 0.00 H new ATOM 0 HE ARG A 34 16.706 15.125 -10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.586 14.136 -7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.836 14.349 -6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.322 15.400 -8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.956 15.066 -6.919 1.00 0.00 H new ATOM 326 N ILE A 35 9.763 15.152 -9.353 1.00 0.00 N ATOM 327 CA ILE A 35 9.007 15.387 -8.134 1.00 0.00 C ATOM 328 C ILE A 35 8.055 14.214 -7.896 1.00 0.00 C ATOM 329 O ILE A 35 7.584 14.009 -6.778 1.00 0.00 O ATOM 330 CB ILE A 35 8.306 16.746 -8.193 1.00 0.00 C ATOM 331 CG1 ILE A 35 9.325 17.885 -8.274 1.00 0.00 C ATOM 332 CG2 ILE A 35 7.346 16.919 -7.014 1.00 0.00 C ATOM 333 CD1 ILE A 35 9.652 18.428 -6.881 1.00 0.00 C ATOM 0 H ILE A 35 9.259 15.362 -10.215 1.00 0.00 H new ATOM 0 HA ILE A 35 9.675 15.435 -7.274 1.00 0.00 H new ATOM 0 HB ILE A 35 7.708 16.783 -9.104 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.237 17.528 -8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.930 18.687 -8.898 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.861 17.893 -7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.590 16.134 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.902 16.853 -6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.378 19.236 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.742 18.806 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.069 17.629 -6.268 1.00 0.00 H new ATOM 345 N HIS A 36 7.799 13.474 -8.965 1.00 0.00 N ATOM 346 CA HIS A 36 6.911 12.327 -8.885 1.00 0.00 C ATOM 347 C HIS A 36 7.688 11.052 -9.220 1.00 0.00 C ATOM 348 O HIS A 36 7.983 10.788 -10.385 1.00 0.00 O ATOM 349 CB HIS A 36 5.685 12.525 -9.779 1.00 0.00 C ATOM 350 CG HIS A 36 5.163 13.942 -9.799 1.00 0.00 C ATOM 351 ND1 HIS A 36 5.071 14.724 -8.660 1.00 0.00 N ATOM 352 CD2 HIS A 36 4.707 14.710 -10.831 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.580 15.906 -9.003 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.355 15.895 -10.348 1.00 0.00 N ATOM 0 H HIS A 36 8.191 13.647 -9.891 1.00 0.00 H new ATOM 0 HA HIS A 36 6.534 12.225 -7.867 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.938 12.227 -10.797 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.890 11.860 -9.441 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.643 14.405 -11.865 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.391 16.733 -8.335 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.978 16.670 -10.893 1.00 0.00 H new ATOM 362 N ASN A 37 7.998 10.295 -8.178 1.00 0.00 N ATOM 363 CA ASN A 37 8.736 9.055 -8.347 1.00 0.00 C ATOM 364 C ASN A 37 7.755 7.881 -8.355 1.00 0.00 C ATOM 365 O ASN A 37 8.140 6.747 -8.640 1.00 0.00 O ATOM 366 CB ASN A 37 9.721 8.839 -7.197 1.00 0.00 C ATOM 367 CG ASN A 37 11.014 9.624 -7.429 1.00 0.00 C ATOM 368 OD1 ASN A 37 12.062 9.071 -7.720 1.00 0.00 O ATOM 369 ND2 ASN A 37 10.882 10.939 -7.283 1.00 0.00 N ATOM 0 H ASN A 37 7.751 10.517 -7.213 1.00 0.00 H new ATOM 0 HA ASN A 37 9.286 9.115 -9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.264 9.153 -6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.948 7.777 -7.102 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.688 11.550 -7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.975 11.336 -7.038 1.00 0.00 H new ATOM 376 N ASP A 38 6.506 8.192 -8.040 1.00 0.00 N ATOM 377 CA ASP A 38 5.467 7.177 -8.007 1.00 0.00 C ATOM 378 C ASP A 38 4.559 7.343 -9.227 1.00 0.00 C ATOM 379 O ASP A 38 3.787 6.445 -9.558 1.00 0.00 O ATOM 380 CB ASP A 38 4.603 7.313 -6.752 1.00 0.00 C ATOM 381 CG ASP A 38 3.769 8.593 -6.676 1.00 0.00 C ATOM 382 OD1 ASP A 38 2.626 8.583 -6.196 1.00 0.00 O ATOM 383 OD2 ASP A 38 4.346 9.648 -7.144 1.00 0.00 O ATOM 0 H ASP A 38 6.190 9.133 -7.805 1.00 0.00 H new ATOM 0 HA ASP A 38 5.950 6.200 -8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.932 6.456 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.251 7.267 -5.877 1.00 0.00 H new ATOM 389 N VAL A 39 4.680 8.500 -9.862 1.00 0.00 N ATOM 390 CA VAL A 39 3.880 8.796 -11.037 1.00 0.00 C ATOM 391 C VAL A 39 4.586 8.251 -12.280 1.00 0.00 C ATOM 392 O VAL A 39 5.804 8.082 -12.283 1.00 0.00 O ATOM 393 CB VAL A 39 3.604 10.299 -11.118 1.00 0.00 C ATOM 394 CG1 VAL A 39 2.886 10.656 -12.421 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.804 10.775 -9.903 1.00 0.00 C ATOM 0 H VAL A 39 5.321 9.243 -9.584 1.00 0.00 H new ATOM 0 HA VAL A 39 2.910 8.304 -10.971 1.00 0.00 H new ATOM 0 HB VAL A 39 4.563 10.817 -11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.702 11.730 -12.453 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.507 10.369 -13.269 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.936 10.124 -12.471 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.621 11.846 -9.985 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.852 10.246 -9.865 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.369 10.572 -8.993 1.00 0.00 H new ATOM 405 N ILE A 40 3.790 7.990 -13.307 1.00 0.00 N ATOM 406 CA ILE A 40 4.324 7.468 -14.554 1.00 0.00 C ATOM 407 C ILE A 40 3.927 8.397 -15.702 1.00 0.00 C ATOM 408 O ILE A 40 2.805 8.899 -15.741 1.00 0.00 O ATOM 409 CB ILE A 40 3.885 6.016 -14.757 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.758 5.685 -16.246 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.593 5.721 -13.992 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.242 4.260 -16.449 1.00 0.00 C ATOM 0 H ILE A 40 2.780 8.130 -13.301 1.00 0.00 H new ATOM 0 HA ILE A 40 5.413 7.447 -14.524 1.00 0.00 H new ATOM 0 HB ILE A 40 4.657 5.365 -14.347 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.080 6.392 -16.723 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.728 5.797 -16.731 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.303 4.683 -14.154 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.753 5.892 -12.927 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.800 6.378 -14.349 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.161 4.051 -17.516 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.935 3.554 -15.992 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.261 4.158 -15.984 1.00 0.00 H new ATOM 424 N LEU A 41 4.870 8.598 -16.611 1.00 0.00 N ATOM 425 CA LEU A 41 4.633 9.458 -17.758 1.00 0.00 C ATOM 426 C LEU A 41 5.098 8.745 -19.029 1.00 0.00 C ATOM 427 O LEU A 41 6.066 7.987 -19.001 1.00 0.00 O ATOM 428 CB LEU A 41 5.286 10.825 -17.546 1.00 0.00 C ATOM 429 CG LEU A 41 5.148 11.425 -16.145 1.00 0.00 C ATOM 430 CD1 LEU A 41 6.382 12.250 -15.777 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.857 12.238 -16.022 1.00 0.00 C ATOM 0 H LEU A 41 5.800 8.180 -16.576 1.00 0.00 H new ATOM 0 HA LEU A 41 3.567 9.654 -17.874 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.347 10.739 -17.780 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.858 11.525 -18.263 1.00 0.00 H new ATOM 0 HG LEU A 41 5.083 10.607 -15.428 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.257 12.665 -14.777 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.266 11.612 -15.798 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.504 13.062 -16.494 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.783 12.653 -15.017 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.867 13.049 -16.750 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.000 11.591 -16.211 1.00 0.00 H new ATOM 443 N ASP A 42 4.387 9.014 -20.114 1.00 0.00 N ATOM 444 CA ASP A 42 4.715 8.407 -21.393 1.00 0.00 C ATOM 445 C ASP A 42 5.976 9.065 -21.956 1.00 0.00 C ATOM 446 O ASP A 42 6.039 10.286 -22.087 1.00 0.00 O ATOM 447 CB ASP A 42 3.585 8.610 -22.404 1.00 0.00 C ATOM 448 CG ASP A 42 4.032 8.704 -23.864 1.00 0.00 C ATOM 449 OD1 ASP A 42 4.391 9.785 -24.354 1.00 0.00 O ATOM 450 OD2 ASP A 42 4.003 7.591 -24.516 1.00 0.00 O ATOM 0 H ASP A 42 3.585 9.644 -20.134 1.00 0.00 H new ATOM 0 HA ASP A 42 4.867 7.340 -21.231 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.880 7.785 -22.308 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.046 9.521 -22.145 1.00 0.00 H new ATOM 456 N SER A 43 6.951 8.225 -22.275 1.00 0.00 N ATOM 457 CA SER A 43 8.207 8.709 -22.821 1.00 0.00 C ATOM 458 C SER A 43 8.252 8.462 -24.330 1.00 0.00 C ATOM 459 O SER A 43 8.509 9.381 -25.106 1.00 0.00 O ATOM 460 CB SER A 43 9.400 8.037 -22.137 1.00 0.00 C ATOM 461 OG SER A 43 10.549 8.879 -22.120 1.00 0.00 O ATOM 0 H SER A 43 6.896 7.212 -22.165 1.00 0.00 H new ATOM 0 HA SER A 43 8.271 9.781 -22.633 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.130 7.772 -21.115 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.639 7.108 -22.655 1.00 0.00 H new ATOM 0 HG SER A 43 11.288 8.415 -21.674 1.00 0.00 H new ATOM 467 N GLY A 44 7.997 7.216 -24.701 1.00 0.00 N ATOM 468 CA GLY A 44 8.005 6.836 -26.103 1.00 0.00 C ATOM 469 C GLY A 44 9.339 6.195 -26.491 1.00 0.00 C ATOM 470 O GLY A 44 9.832 6.401 -27.599 1.00 0.00 O ATOM 0 H GLY A 44 7.783 6.456 -24.055 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.192 6.137 -26.298 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.826 7.715 -26.722 1.00 0.00 H new ATOM 474 N ASN A 45 9.885 5.432 -25.556 1.00 0.00 N ATOM 475 CA ASN A 45 11.153 4.759 -25.785 1.00 0.00 C ATOM 476 C ASN A 45 10.898 3.270 -26.028 1.00 0.00 C ATOM 477 O ASN A 45 9.785 2.786 -25.830 1.00 0.00 O ATOM 478 CB ASN A 45 12.073 4.889 -24.571 1.00 0.00 C ATOM 479 CG ASN A 45 12.945 6.143 -24.675 1.00 0.00 C ATOM 480 OD1 ASN A 45 12.532 7.245 -24.354 1.00 0.00 O ATOM 481 ND2 ASN A 45 14.169 5.913 -25.140 1.00 0.00 N ATOM 0 H ASN A 45 9.473 5.265 -24.638 1.00 0.00 H new ATOM 0 HA ASN A 45 11.629 5.222 -26.649 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.475 4.932 -23.660 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.707 4.006 -24.495 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.827 6.685 -25.247 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.450 4.965 -25.390 1.00 0.00 H new ATOM 488 N ASP A 46 11.949 2.584 -26.454 1.00 0.00 N ATOM 489 CA ASP A 46 11.854 1.160 -26.726 1.00 0.00 C ATOM 490 C ASP A 46 11.286 0.448 -25.496 1.00 0.00 C ATOM 491 O ASP A 46 12.006 0.202 -24.529 1.00 0.00 O ATOM 492 CB ASP A 46 13.230 0.563 -27.025 1.00 0.00 C ATOM 493 CG ASP A 46 13.207 -0.771 -27.773 1.00 0.00 C ATOM 494 OD1 ASP A 46 12.138 -1.355 -28.006 1.00 0.00 O ATOM 495 OD2 ASP A 46 14.364 -1.217 -28.128 1.00 0.00 O ATOM 0 H ASP A 46 12.871 2.989 -26.617 1.00 0.00 H new ATOM 0 HA ASP A 46 11.207 1.024 -27.593 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.801 1.282 -27.612 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.762 0.425 -26.084 1.00 0.00 H new ATOM 501 N ALA A 47 10.001 0.136 -25.573 1.00 0.00 N ATOM 502 CA ALA A 47 9.329 -0.544 -24.478 1.00 0.00 C ATOM 503 C ALA A 47 9.777 -2.006 -24.440 1.00 0.00 C ATOM 504 O ALA A 47 9.502 -2.718 -23.475 1.00 0.00 O ATOM 505 CB ALA A 47 7.815 -0.402 -24.642 1.00 0.00 C ATOM 0 H ALA A 47 9.407 0.341 -26.376 1.00 0.00 H new ATOM 0 HA ALA A 47 9.597 -0.092 -23.523 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.311 -0.912 -23.821 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.546 0.654 -24.633 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.508 -0.847 -25.589 1.00 0.00 H new ATOM 511 N SER A 48 10.460 -2.411 -25.501 1.00 0.00 N ATOM 512 CA SER A 48 10.948 -3.776 -25.600 1.00 0.00 C ATOM 513 C SER A 48 11.871 -4.088 -24.420 1.00 0.00 C ATOM 514 O SER A 48 11.807 -5.176 -23.850 1.00 0.00 O ATOM 515 CB SER A 48 11.683 -4.003 -26.923 1.00 0.00 C ATOM 516 OG SER A 48 12.013 -5.374 -27.122 1.00 0.00 O ATOM 0 H SER A 48 10.687 -1.818 -26.299 1.00 0.00 H new ATOM 0 HA SER A 48 10.091 -4.449 -25.571 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.060 -3.657 -27.748 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.594 -3.405 -26.939 1.00 0.00 H new ATOM 0 HG SER A 48 12.479 -5.477 -27.978 1.00 0.00 H new ATOM 522 N SER A 49 12.706 -3.115 -24.089 1.00 0.00 N ATOM 523 CA SER A 49 13.640 -3.273 -22.988 1.00 0.00 C ATOM 524 C SER A 49 12.896 -3.189 -21.654 1.00 0.00 C ATOM 525 O SER A 49 13.350 -3.735 -20.650 1.00 0.00 O ATOM 526 CB SER A 49 14.745 -2.216 -23.046 1.00 0.00 C ATOM 527 OG SER A 49 15.606 -2.404 -24.166 1.00 0.00 O ATOM 0 H SER A 49 12.755 -2.214 -24.564 1.00 0.00 H new ATOM 0 HA SER A 49 14.108 -4.254 -23.075 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.296 -1.224 -23.097 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.331 -2.254 -22.128 1.00 0.00 H new ATOM 0 HG SER A 49 16.296 -1.709 -24.168 1.00 0.00 H new ATOM 533 N ALA A 50 11.763 -2.502 -21.687 1.00 0.00 N ATOM 534 CA ALA A 50 10.951 -2.340 -20.493 1.00 0.00 C ATOM 535 C ALA A 50 10.275 -3.671 -20.157 1.00 0.00 C ATOM 536 O ALA A 50 10.343 -4.136 -19.020 1.00 0.00 O ATOM 537 CB ALA A 50 9.940 -1.213 -20.712 1.00 0.00 C ATOM 0 H ALA A 50 11.388 -2.051 -22.522 1.00 0.00 H new ATOM 0 HA ALA A 50 11.572 -2.061 -19.642 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.331 -1.092 -19.816 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.470 -0.284 -20.919 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.297 -1.460 -21.557 1.00 0.00 H new ATOM 543 N TYR A 51 9.639 -4.247 -21.166 1.00 0.00 N ATOM 544 CA TYR A 51 8.952 -5.515 -20.992 1.00 0.00 C ATOM 545 C TYR A 51 9.942 -6.636 -20.669 1.00 0.00 C ATOM 546 O TYR A 51 9.677 -7.475 -19.810 1.00 0.00 O ATOM 547 CB TYR A 51 8.277 -5.817 -22.331 1.00 0.00 C ATOM 548 CG TYR A 51 7.368 -4.695 -22.837 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.426 -4.139 -21.996 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.491 -4.240 -24.134 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.570 -3.083 -22.473 1.00 0.00 C ATOM 552 CE2 TYR A 51 6.636 -3.184 -24.610 1.00 0.00 C ATOM 553 CZ TYR A 51 5.717 -2.657 -23.756 1.00 0.00 C ATOM 554 OH TYR A 51 4.909 -1.660 -24.205 1.00 0.00 O ATOM 0 H TYR A 51 9.585 -3.859 -22.108 1.00 0.00 H new ATOM 0 HA TYR A 51 8.240 -5.455 -20.169 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.046 -6.012 -23.078 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.690 -6.730 -22.232 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.330 -4.495 -20.981 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.228 -4.676 -24.792 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.828 -2.639 -21.826 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.722 -2.818 -25.623 1.00 0.00 H new ATOM 0 HH TYR A 51 5.127 -1.458 -25.139 1.00 0.00 H new ATOM 564 N LYS A 52 11.063 -6.613 -21.375 1.00 0.00 N ATOM 565 CA LYS A 52 12.095 -7.616 -21.175 1.00 0.00 C ATOM 566 C LYS A 52 12.647 -7.497 -19.753 1.00 0.00 C ATOM 567 O LYS A 52 12.742 -8.491 -19.034 1.00 0.00 O ATOM 568 CB LYS A 52 13.166 -7.508 -22.261 1.00 0.00 C ATOM 569 CG LYS A 52 14.330 -6.629 -21.799 1.00 0.00 C ATOM 570 CD LYS A 52 15.443 -6.597 -22.848 1.00 0.00 C ATOM 571 CE LYS A 52 16.111 -7.967 -22.980 1.00 0.00 C ATOM 572 NZ LYS A 52 17.489 -7.824 -23.500 1.00 0.00 N ATOM 0 H LYS A 52 11.279 -5.915 -22.087 1.00 0.00 H new ATOM 0 HA LYS A 52 11.676 -8.618 -21.272 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.535 -8.502 -22.513 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.728 -7.091 -23.168 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.973 -5.616 -21.611 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.725 -7.008 -20.856 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.031 -6.295 -23.811 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.187 -5.851 -22.571 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.132 -8.463 -22.010 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.527 -8.600 -23.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.928 -8.763 -23.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.462 -7.370 -24.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.047 -7.238 -22.847 1.00 0.00 H new ATOM 586 N LEU A 53 12.997 -6.272 -19.389 1.00 0.00 N ATOM 587 CA LEU A 53 13.537 -6.009 -18.066 1.00 0.00 C ATOM 588 C LEU A 53 12.441 -6.225 -17.020 1.00 0.00 C ATOM 589 O LEU A 53 12.728 -6.591 -15.882 1.00 0.00 O ATOM 590 CB LEU A 53 14.172 -4.618 -18.013 1.00 0.00 C ATOM 591 CG LEU A 53 14.783 -4.211 -16.670 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.731 -3.573 -15.761 1.00 0.00 C ATOM 593 CD2 LEU A 53 15.476 -5.399 -16.000 1.00 0.00 C ATOM 0 H LEU A 53 12.917 -5.450 -19.988 1.00 0.00 H new ATOM 0 HA LEU A 53 14.340 -6.710 -17.836 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.950 -4.566 -18.774 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.413 -3.883 -18.282 1.00 0.00 H new ATOM 0 HG LEU A 53 15.548 -3.457 -16.857 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.191 -3.293 -14.813 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.324 -2.684 -16.243 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.928 -4.287 -15.578 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.901 -5.082 -15.048 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.750 -6.193 -15.827 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.271 -5.769 -16.647 1.00 0.00 H new ATOM 605 N GLY A 54 11.208 -5.989 -17.444 1.00 0.00 N ATOM 606 CA GLY A 54 10.068 -6.153 -16.559 1.00 0.00 C ATOM 607 C GLY A 54 9.848 -7.627 -16.216 1.00 0.00 C ATOM 608 O GLY A 54 9.659 -7.976 -15.051 1.00 0.00 O ATOM 0 H GLY A 54 10.974 -5.685 -18.389 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.229 -5.583 -15.644 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.174 -5.749 -17.033 1.00 0.00 H new ATOM 612 N THR A 55 9.880 -8.454 -17.251 1.00 0.00 N ATOM 613 CA THR A 55 9.686 -9.883 -17.073 1.00 0.00 C ATOM 614 C THR A 55 10.822 -10.476 -16.238 1.00 0.00 C ATOM 615 O THR A 55 10.584 -11.292 -15.349 1.00 0.00 O ATOM 616 CB THR A 55 9.556 -10.518 -18.459 1.00 0.00 C ATOM 617 OG1 THR A 55 10.669 -10.003 -19.183 1.00 0.00 O ATOM 618 CG2 THR A 55 8.339 -10.000 -19.229 1.00 0.00 C ATOM 0 H THR A 55 10.037 -8.162 -18.215 1.00 0.00 H new ATOM 0 HA THR A 55 8.773 -10.092 -16.516 1.00 0.00 H new ATOM 0 HB THR A 55 9.487 -11.601 -18.356 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.421 -9.154 -19.604 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.294 -10.483 -20.205 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.431 -10.227 -18.670 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.424 -8.921 -19.361 1.00 0.00 H new ATOM 626 N TYR A 56 12.034 -10.041 -16.552 1.00 0.00 N ATOM 627 CA TYR A 56 13.208 -10.519 -15.842 1.00 0.00 C ATOM 628 C TYR A 56 13.139 -10.149 -14.359 1.00 0.00 C ATOM 629 O TYR A 56 13.473 -10.961 -13.497 1.00 0.00 O ATOM 630 CB TYR A 56 14.404 -9.807 -16.477 1.00 0.00 C ATOM 631 CG TYR A 56 14.767 -10.324 -17.871 1.00 0.00 C ATOM 632 CD1 TYR A 56 14.006 -11.313 -18.460 1.00 0.00 C ATOM 633 CD2 TYR A 56 15.856 -9.801 -18.538 1.00 0.00 C ATOM 634 CE1 TYR A 56 14.348 -11.800 -19.771 1.00 0.00 C ATOM 635 CE2 TYR A 56 16.198 -10.288 -19.850 1.00 0.00 C ATOM 636 CZ TYR A 56 15.427 -11.263 -20.401 1.00 0.00 C ATOM 637 OH TYR A 56 15.750 -11.723 -21.640 1.00 0.00 O ATOM 0 H TYR A 56 12.228 -9.363 -17.289 1.00 0.00 H new ATOM 0 HA TYR A 56 13.283 -11.604 -15.911 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.187 -8.741 -16.541 1.00 0.00 H new ATOM 0 HB3 TYR A 56 15.269 -9.918 -15.823 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.154 -11.722 -17.938 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.452 -9.027 -18.077 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.761 -12.574 -20.243 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.047 -9.888 -20.384 1.00 0.00 H new ATOM 0 HH TYR A 56 16.542 -11.248 -21.969 1.00 0.00 H new ATOM 647 N LEU A 57 12.704 -8.924 -14.107 1.00 0.00 N ATOM 648 CA LEU A 57 12.587 -8.437 -12.743 1.00 0.00 C ATOM 649 C LEU A 57 11.346 -9.052 -12.091 1.00 0.00 C ATOM 650 O LEU A 57 11.316 -9.259 -10.879 1.00 0.00 O ATOM 651 CB LEU A 57 12.601 -6.907 -12.717 1.00 0.00 C ATOM 652 CG LEU A 57 11.657 -6.245 -11.711 1.00 0.00 C ATOM 653 CD1 LEU A 57 10.194 -6.504 -12.079 1.00 0.00 C ATOM 654 CD2 LEU A 57 11.976 -6.691 -10.283 1.00 0.00 C ATOM 0 H LEU A 57 12.428 -8.253 -14.824 1.00 0.00 H new ATOM 0 HA LEU A 57 13.447 -8.751 -12.152 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.617 -6.576 -12.504 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.350 -6.544 -13.714 1.00 0.00 H new ATOM 0 HG LEU A 57 11.814 -5.167 -11.754 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.544 -6.023 -11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.990 -6.097 -13.069 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.004 -7.577 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.290 -6.206 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.865 -7.773 -10.206 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.000 -6.413 -10.035 1.00 0.00 H new ATOM 666 N TYR A 58 10.353 -9.325 -12.924 1.00 0.00 N ATOM 667 CA TYR A 58 9.114 -9.912 -12.444 1.00 0.00 C ATOM 668 C TYR A 58 9.291 -11.403 -12.149 1.00 0.00 C ATOM 669 O TYR A 58 8.606 -11.955 -11.289 1.00 0.00 O ATOM 670 CB TYR A 58 8.102 -9.747 -13.579 1.00 0.00 C ATOM 671 CG TYR A 58 7.353 -8.413 -13.556 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.886 -7.905 -12.361 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.145 -7.717 -14.730 1.00 0.00 C ATOM 674 CE1 TYR A 58 6.181 -6.649 -12.338 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.440 -6.462 -14.707 1.00 0.00 C ATOM 676 CZ TYR A 58 5.993 -5.990 -13.513 1.00 0.00 C ATOM 677 OH TYR A 58 5.327 -4.804 -13.492 1.00 0.00 O ATOM 0 H TYR A 58 10.381 -9.150 -13.929 1.00 0.00 H new ATOM 0 HA TYR A 58 8.792 -9.427 -11.522 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.622 -9.844 -14.532 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.377 -10.560 -13.527 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.049 -8.449 -11.443 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.511 -8.114 -15.665 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.810 -6.240 -11.410 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.270 -5.908 -15.618 1.00 0.00 H new ATOM 0 HH TYR A 58 4.862 -4.705 -12.635 1.00 0.00 H new ATOM 687 N GLN A 59 10.215 -12.012 -12.877 1.00 0.00 N ATOM 688 CA GLN A 59 10.491 -13.428 -12.704 1.00 0.00 C ATOM 689 C GLN A 59 11.692 -13.625 -11.776 1.00 0.00 C ATOM 690 O GLN A 59 12.150 -14.749 -11.578 1.00 0.00 O ATOM 691 CB GLN A 59 10.724 -14.111 -14.054 1.00 0.00 C ATOM 692 CG GLN A 59 9.436 -14.146 -14.879 1.00 0.00 C ATOM 693 CD GLN A 59 9.746 -14.253 -16.374 1.00 0.00 C ATOM 694 OE1 GLN A 59 10.812 -14.681 -16.784 1.00 0.00 O ATOM 695 NE2 GLN A 59 8.757 -13.842 -17.162 1.00 0.00 N ATOM 0 H GLN A 59 10.782 -11.551 -13.588 1.00 0.00 H new ATOM 0 HA GLN A 59 9.620 -13.894 -12.244 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.499 -13.579 -14.606 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.086 -15.127 -13.894 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.824 -14.993 -14.569 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.853 -13.245 -14.688 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.890 -13.495 -16.753 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.866 -13.874 -18.176 1.00 0.00 H new ATOM 856 N LEU A 70 3.622 -14.347 -19.274 1.00 0.00 N ATOM 857 CA LEU A 70 4.216 -13.181 -19.905 1.00 0.00 C ATOM 858 C LEU A 70 3.117 -12.171 -20.240 1.00 0.00 C ATOM 859 O LEU A 70 3.313 -10.965 -20.101 1.00 0.00 O ATOM 860 CB LEU A 70 5.059 -13.596 -21.112 1.00 0.00 C ATOM 861 CG LEU A 70 6.196 -12.646 -21.496 1.00 0.00 C ATOM 862 CD1 LEU A 70 5.792 -11.188 -21.267 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.485 -13.008 -20.755 1.00 0.00 C ATOM 0 HA LEU A 70 4.904 -12.687 -19.220 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.486 -14.579 -20.911 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.398 -13.705 -21.972 1.00 0.00 H new ATOM 0 HG LEU A 70 6.394 -12.761 -22.562 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.617 -10.533 -21.547 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.919 -10.952 -21.876 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.552 -11.038 -20.214 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.278 -12.318 -21.045 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.319 -12.938 -19.680 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.778 -14.026 -21.011 1.00 0.00 H new ATOM 875 N THR A 71 1.983 -12.702 -20.675 1.00 0.00 N ATOM 876 CA THR A 71 0.852 -11.862 -21.031 1.00 0.00 C ATOM 877 C THR A 71 0.440 -10.990 -19.843 1.00 0.00 C ATOM 878 O THR A 71 0.005 -9.854 -20.024 1.00 0.00 O ATOM 879 CB THR A 71 -0.270 -12.770 -21.537 1.00 0.00 C ATOM 880 OG1 THR A 71 -1.131 -11.891 -22.256 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.147 -13.304 -20.402 1.00 0.00 C ATOM 0 H THR A 71 1.824 -13.703 -20.789 1.00 0.00 H new ATOM 0 HA THR A 71 1.111 -11.166 -21.829 1.00 0.00 H new ATOM 0 HB THR A 71 0.160 -13.606 -22.088 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.886 -12.398 -22.620 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.928 -13.943 -20.815 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.534 -13.881 -19.710 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.604 -12.469 -19.872 1.00 0.00 H new ATOM 889 N GLU A 72 0.592 -11.555 -18.655 1.00 0.00 N ATOM 890 CA GLU A 72 0.242 -10.844 -17.437 1.00 0.00 C ATOM 891 C GLU A 72 1.231 -9.704 -17.185 1.00 0.00 C ATOM 892 O GLU A 72 0.845 -8.636 -16.713 1.00 0.00 O ATOM 893 CB GLU A 72 0.186 -11.797 -16.242 1.00 0.00 C ATOM 894 CG GLU A 72 -0.452 -11.118 -15.028 1.00 0.00 C ATOM 895 CD GLU A 72 -0.025 -11.804 -13.729 1.00 0.00 C ATOM 896 OE1 GLU A 72 -0.691 -11.643 -12.695 1.00 0.00 O ATOM 897 OE2 GLU A 72 1.039 -12.528 -13.818 1.00 0.00 O ATOM 0 H GLU A 72 0.953 -12.498 -18.509 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.752 -10.415 -17.563 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.386 -12.686 -16.508 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.193 -12.129 -15.990 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.163 -10.067 -15.001 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.538 -11.147 -15.119 1.00 0.00 H new ATOM 905 N ALA A 73 2.488 -9.971 -17.510 1.00 0.00 N ATOM 906 CA ALA A 73 3.535 -8.982 -17.324 1.00 0.00 C ATOM 907 C ALA A 73 3.340 -7.844 -18.328 1.00 0.00 C ATOM 908 O ALA A 73 3.317 -6.674 -17.949 1.00 0.00 O ATOM 909 CB ALA A 73 4.903 -9.654 -17.463 1.00 0.00 C ATOM 0 H ALA A 73 2.804 -10.858 -17.901 1.00 0.00 H new ATOM 0 HA ALA A 73 3.483 -8.552 -16.324 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.689 -8.912 -17.323 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.003 -10.435 -16.709 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.993 -10.095 -18.456 1.00 0.00 H new ATOM 915 N ARG A 74 3.204 -8.227 -19.589 1.00 0.00 N ATOM 916 CA ARG A 74 3.011 -7.253 -20.650 1.00 0.00 C ATOM 917 C ARG A 74 1.692 -6.504 -20.450 1.00 0.00 C ATOM 918 O ARG A 74 1.560 -5.352 -20.860 1.00 0.00 O ATOM 919 CB ARG A 74 3.002 -7.929 -22.023 1.00 0.00 C ATOM 920 CG ARG A 74 1.577 -8.291 -22.447 1.00 0.00 C ATOM 921 CD ARG A 74 1.579 -9.084 -23.755 1.00 0.00 C ATOM 922 NE ARG A 74 2.367 -10.326 -23.592 1.00 0.00 N ATOM 923 CZ ARG A 74 2.486 -11.270 -24.536 1.00 0.00 C ATOM 924 NH1 ARG A 74 1.870 -11.118 -25.716 1.00 0.00 N ATOM 925 NH2 ARG A 74 3.222 -12.365 -24.301 1.00 0.00 N ATOM 0 H ARG A 74 3.224 -9.198 -19.900 1.00 0.00 H new ATOM 0 HA ARG A 74 3.842 -6.549 -20.609 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.447 -7.264 -22.763 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.616 -8.829 -21.993 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.098 -8.877 -21.663 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.988 -7.382 -22.570 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.557 -9.327 -24.044 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.001 -8.478 -24.557 1.00 0.00 H new ATOM 0 HE ARG A 74 2.850 -10.473 -22.706 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.311 -10.284 -25.896 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.960 -11.836 -26.435 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.692 -12.480 -23.403 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.312 -13.083 -25.020 1.00 0.00 H new ATOM 939 N ASP A 75 0.749 -7.188 -19.819 1.00 0.00 N ATOM 940 CA ASP A 75 -0.555 -6.602 -19.560 1.00 0.00 C ATOM 941 C ASP A 75 -0.441 -5.610 -18.400 1.00 0.00 C ATOM 942 O ASP A 75 -1.119 -4.584 -18.388 1.00 0.00 O ATOM 943 CB ASP A 75 -1.573 -7.674 -19.167 1.00 0.00 C ATOM 944 CG ASP A 75 -2.839 -7.146 -18.489 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.617 -6.391 -19.091 1.00 0.00 O ATOM 946 OD2 ASP A 75 -3.016 -7.547 -17.276 1.00 0.00 O ATOM 0 H ASP A 75 0.862 -8.143 -19.479 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.889 -6.105 -20.471 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.861 -8.225 -20.062 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.089 -8.385 -18.497 1.00 0.00 H new ATOM 952 N ALA A 76 0.422 -5.951 -17.454 1.00 0.00 N ATOM 953 CA ALA A 76 0.633 -5.103 -16.293 1.00 0.00 C ATOM 954 C ALA A 76 1.304 -3.801 -16.734 1.00 0.00 C ATOM 955 O ALA A 76 0.915 -2.719 -16.296 1.00 0.00 O ATOM 956 CB ALA A 76 1.458 -5.861 -15.251 1.00 0.00 C ATOM 0 H ALA A 76 0.983 -6.803 -17.468 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.318 -4.843 -15.829 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.617 -5.225 -14.380 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.924 -6.763 -14.950 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.422 -6.136 -15.680 1.00 0.00 H new ATOM 962 N ILE A 77 2.301 -3.948 -17.594 1.00 0.00 N ATOM 963 CA ILE A 77 3.030 -2.796 -18.098 1.00 0.00 C ATOM 964 C ILE A 77 2.175 -2.073 -19.140 1.00 0.00 C ATOM 965 O ILE A 77 2.189 -0.845 -19.216 1.00 0.00 O ATOM 966 CB ILE A 77 4.406 -3.219 -18.618 1.00 0.00 C ATOM 967 CG1 ILE A 77 5.079 -4.197 -17.653 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.283 -1.998 -18.902 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.894 -5.244 -18.415 1.00 0.00 C ATOM 0 H ILE A 77 2.621 -4.847 -17.955 1.00 0.00 H new ATOM 0 HA ILE A 77 3.223 -2.085 -17.294 1.00 0.00 H new ATOM 0 HB ILE A 77 4.268 -3.743 -19.564 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.730 -3.650 -16.970 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.322 -4.692 -17.044 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.255 -2.326 -19.270 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.803 -1.372 -19.654 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.417 -1.425 -17.985 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.362 -5.927 -17.706 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.236 -5.805 -19.079 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.665 -4.747 -19.004 1.00 0.00 H new ATOM 981 N LYS A 78 1.451 -2.865 -19.917 1.00 0.00 N ATOM 982 CA LYS A 78 0.591 -2.315 -20.952 1.00 0.00 C ATOM 983 C LYS A 78 -0.605 -1.619 -20.298 1.00 0.00 C ATOM 984 O LYS A 78 -1.157 -0.671 -20.855 1.00 0.00 O ATOM 985 CB LYS A 78 0.197 -3.401 -21.955 1.00 0.00 C ATOM 986 CG LYS A 78 -0.764 -2.851 -23.010 1.00 0.00 C ATOM 987 CD LYS A 78 0.000 -2.306 -24.218 1.00 0.00 C ATOM 988 CE LYS A 78 -0.868 -1.338 -25.025 1.00 0.00 C ATOM 989 NZ LYS A 78 -0.047 -0.611 -26.018 1.00 0.00 N ATOM 0 H LYS A 78 1.442 -3.883 -19.851 1.00 0.00 H new ATOM 0 HA LYS A 78 1.125 -1.560 -21.529 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.090 -3.793 -22.441 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.272 -4.233 -21.430 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.446 -3.638 -23.332 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.374 -2.060 -22.574 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.903 -1.796 -23.882 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.318 -3.132 -24.854 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.661 -1.888 -25.532 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.351 -0.628 -24.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.651 0.042 -26.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.694 -0.071 -25.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.394 -1.292 -26.669 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.970 -2.117 -19.126 1.00 0.00 N ATOM 1004 CA ASP A 79 -2.091 -1.554 -18.391 1.00 0.00 C ATOM 1005 C ASP A 79 -1.672 -0.218 -17.775 1.00 0.00 C ATOM 1006 O ASP A 79 -2.389 0.775 -17.891 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.525 -2.483 -17.255 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.258 -1.794 -16.102 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -4.486 -1.905 -15.969 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -2.505 -1.111 -15.308 1.00 0.00 O ATOM 0 H ASP A 79 -0.510 -2.903 -18.667 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.920 -1.422 -19.087 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.172 -3.258 -17.666 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.642 -2.983 -16.857 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.512 -0.236 -17.134 1.00 0.00 N ATOM 1017 CA ALA A 80 0.010 0.962 -16.499 1.00 0.00 C ATOM 1018 C ALA A 80 0.345 1.999 -17.574 1.00 0.00 C ATOM 1019 O ALA A 80 0.073 3.186 -17.402 1.00 0.00 O ATOM 1020 CB ALA A 80 1.225 0.598 -15.643 1.00 0.00 C ATOM 0 H ALA A 80 0.081 -1.061 -17.041 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.736 1.401 -15.837 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.617 1.497 -15.167 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.929 -0.119 -14.877 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.996 0.157 -16.275 1.00 0.00 H new ATOM 1026 N TYR A 81 0.929 1.512 -18.659 1.00 0.00 N ATOM 1027 CA TYR A 81 1.303 2.381 -19.761 1.00 0.00 C ATOM 1028 C TYR A 81 0.073 3.063 -20.364 1.00 0.00 C ATOM 1029 O TYR A 81 0.037 4.286 -20.492 1.00 0.00 O ATOM 1030 CB TYR A 81 1.937 1.474 -20.818 1.00 0.00 C ATOM 1031 CG TYR A 81 3.412 1.159 -20.564 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.882 1.052 -19.270 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.273 0.982 -21.628 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.271 0.755 -19.031 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.662 0.685 -21.388 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.092 0.587 -20.102 1.00 0.00 C ATOM 1037 OH TYR A 81 7.404 0.307 -19.876 1.00 0.00 O ATOM 0 H TYR A 81 1.152 0.527 -18.798 1.00 0.00 H new ATOM 0 HA TYR A 81 1.981 3.163 -19.419 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.379 0.539 -20.862 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.840 1.949 -21.794 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.208 1.191 -18.437 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.906 1.066 -22.640 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.652 0.668 -18.024 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.346 0.543 -22.211 1.00 0.00 H new ATOM 0 HH TYR A 81 7.493 -0.188 -19.035 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.905 2.243 -20.717 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.134 2.752 -21.303 1.00 0.00 C ATOM 1049 C GLU A 82 -2.975 3.462 -20.240 1.00 0.00 C ATOM 1050 O GLU A 82 -3.772 4.341 -20.560 1.00 0.00 O ATOM 1051 CB GLU A 82 -2.929 1.628 -21.971 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.184 2.176 -22.653 1.00 0.00 C ATOM 1053 CD GLU A 82 -5.314 2.379 -21.642 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -6.154 3.273 -21.822 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -5.302 1.566 -20.640 1.00 0.00 O ATOM 0 H GLU A 82 -0.872 1.229 -20.609 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.873 3.476 -22.075 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.303 1.122 -22.706 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.211 0.884 -21.226 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.953 3.123 -23.140 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.509 1.487 -23.433 1.00 0.00 H new ATOM 1063 N SER A 83 -2.767 3.053 -18.997 1.00 0.00 N ATOM 1064 CA SER A 83 -3.496 3.639 -17.885 1.00 0.00 C ATOM 1065 C SER A 83 -3.079 5.099 -17.697 1.00 0.00 C ATOM 1066 O SER A 83 -3.914 5.954 -17.406 1.00 0.00 O ATOM 1067 CB SER A 83 -3.260 2.850 -16.595 1.00 0.00 C ATOM 1068 OG SER A 83 -3.642 3.590 -15.439 1.00 0.00 O ATOM 0 H SER A 83 -2.104 2.323 -18.735 1.00 0.00 H new ATOM 0 HA SER A 83 -4.561 3.598 -18.115 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.824 1.918 -16.632 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.206 2.582 -16.522 1.00 0.00 H new ATOM 0 HG SER A 83 -3.477 3.052 -14.637 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.788 5.340 -17.872 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.251 6.682 -17.726 1.00 0.00 C ATOM 1076 C TYR A 84 -0.989 7.319 -19.092 1.00 0.00 C ATOM 1077 O TYR A 84 -0.720 8.516 -19.181 1.00 0.00 O ATOM 1078 CB TYR A 84 0.079 6.526 -16.986 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.058 6.477 -15.463 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.128 7.649 -14.738 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.111 5.260 -14.814 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.258 7.603 -13.305 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.240 5.214 -13.380 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.307 6.388 -12.697 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.429 6.344 -11.343 1.00 0.00 O ATOM 0 H TYR A 84 -1.098 4.628 -18.114 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.954 7.321 -17.192 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.567 5.613 -17.326 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.732 7.356 -17.255 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.085 8.601 -15.246 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.056 4.343 -15.381 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.315 8.513 -12.726 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.283 4.269 -12.859 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.452 5.410 -11.047 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.077 6.491 -20.122 1.00 0.00 N ATOM 1096 CA CYS A 85 -0.853 6.959 -21.480 1.00 0.00 C ATOM 1097 C CYS A 85 -1.580 8.294 -21.654 1.00 0.00 C ATOM 1098 O CYS A 85 -2.691 8.469 -21.156 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.301 5.926 -22.515 1.00 0.00 C ATOM 1100 SG CYS A 85 -1.585 6.740 -24.129 1.00 0.00 S ATOM 0 H CYS A 85 -1.300 5.499 -20.044 1.00 0.00 H new ATOM 0 HA CYS A 85 0.214 7.104 -21.646 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.543 5.150 -22.618 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.215 5.436 -22.180 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.963 5.854 -25.001 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.923 9.201 -22.362 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.493 10.514 -22.608 1.00 0.00 C ATOM 1108 C GLY A 86 -0.811 11.578 -21.746 1.00 0.00 C ATOM 1109 O GLY A 86 -0.703 12.735 -22.150 1.00 0.00 O ATOM 0 H GLY A 86 -0.001 9.052 -22.773 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.384 10.770 -23.662 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.561 10.497 -22.393 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.368 11.149 -20.573 1.00 0.00 N ATOM 1114 CA ILE A 87 0.300 12.050 -19.650 1.00 0.00 C ATOM 1115 C ILE A 87 1.814 11.865 -19.769 1.00 0.00 C ATOM 1116 O ILE A 87 2.372 10.916 -19.221 1.00 0.00 O ATOM 1117 CB ILE A 87 -0.233 11.854 -18.229 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -1.750 12.048 -18.181 1.00 0.00 C ATOM 1119 CG2 ILE A 87 0.494 12.768 -17.240 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -2.479 10.716 -18.367 1.00 0.00 C ATOM 0 H ILE A 87 -0.459 10.189 -20.241 1.00 0.00 H new ATOM 0 HA ILE A 87 0.084 13.087 -19.907 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.030 10.827 -17.926 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.033 12.492 -17.227 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.056 12.746 -18.960 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.096 12.609 -16.238 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.560 12.539 -17.248 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.345 13.808 -17.529 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.556 10.882 -18.329 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.212 10.287 -19.333 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.189 10.029 -17.572 1.00 0.00 H new ATOM 1132 N ASP A 88 2.436 12.787 -20.490 1.00 0.00 N ATOM 1133 CA ASP A 88 3.874 12.738 -20.688 1.00 0.00 C ATOM 1134 C ASP A 88 4.515 13.974 -20.055 1.00 0.00 C ATOM 1135 O ASP A 88 5.736 14.126 -20.078 1.00 0.00 O ATOM 1136 CB ASP A 88 4.225 12.734 -22.178 1.00 0.00 C ATOM 1137 CG ASP A 88 3.692 13.929 -22.971 1.00 0.00 C ATOM 1138 OD1 ASP A 88 3.009 14.806 -22.422 1.00 0.00 O ATOM 1139 OD2 ASP A 88 4.009 13.938 -24.221 1.00 0.00 O ATOM 0 H ASP A 88 1.970 13.572 -20.944 1.00 0.00 H new ATOM 0 HA ASP A 88 4.246 11.823 -20.227 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.310 12.704 -22.280 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.837 11.819 -22.625 1.00 0.00 H new ATOM 1145 N ASP A 89 3.663 14.827 -19.505 1.00 0.00 N ATOM 1146 CA ASP A 89 4.131 16.045 -18.867 1.00 0.00 C ATOM 1147 C ASP A 89 3.071 16.538 -17.879 1.00 0.00 C ATOM 1148 O ASP A 89 1.891 16.617 -18.218 1.00 0.00 O ATOM 1149 CB ASP A 89 4.368 17.151 -19.897 1.00 0.00 C ATOM 1150 CG ASP A 89 5.051 18.407 -19.353 1.00 0.00 C ATOM 1151 OD1 ASP A 89 4.420 19.240 -18.686 1.00 0.00 O ATOM 1152 OD2 ASP A 89 6.304 18.515 -19.643 1.00 0.00 O ATOM 0 H ASP A 89 2.651 14.698 -19.488 1.00 0.00 H new ATOM 0 HA ASP A 89 5.068 15.820 -18.358 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.975 16.748 -20.707 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.409 17.436 -20.329 1.00 0.00 H new