USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 407 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 51 MET CE :methyl -146:sc= 0 (180deg=-0.0047) USER MOD Set 2.2: A 55 SER OG : rot -60:sc= 0 USER MOD Set 3.1: A 26 CYS SG : rot 80:sc= -3.49 USER MOD Set 3.2: A 30 ASN : amide:sc= 0 X(o=-3.5,f=-3.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -100:sc= 1.03 USER MOD Single : A 12 THR OG1 : rot -105:sc= 0.642 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.892 X(o=-0.89,f=-0.51) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl -161:sc= -1.41 (180deg=-2.44) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -20:sc= 0.132! USER MOD Single : A 41 LYS NZ :NH3+ -137:sc= 0.0262 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 55:sc= -0.299 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -1.38 (180deg=-1.59) USER MOD Single : A 49 HIS : no HE2:sc= -1.55 K(o=-1.5,f=-2.3) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.016 15.450 -15.070 1.00 0.00 N ATOM 2 CA GLY A 1 5.138 14.774 -15.695 1.00 0.00 C ATOM 3 C GLY A 1 5.947 13.958 -14.706 1.00 0.00 C ATOM 4 O GLY A 1 6.779 14.499 -13.978 1.00 0.00 O ATOM 0 H1 GLY A 1 3.495 15.994 -15.787 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.382 14.746 -14.641 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.366 16.095 -14.333 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.770 14.120 -16.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.786 15.512 -16.168 1.00 0.00 H new ATOM 8 N SER A 2 5.700 12.652 -14.678 1.00 0.00 N ATOM 9 CA SER A 2 6.408 11.760 -13.767 1.00 0.00 C ATOM 10 C SER A 2 6.643 12.435 -12.420 1.00 0.00 C ATOM 11 O SER A 2 7.721 12.321 -11.836 1.00 0.00 O ATOM 12 CB SER A 2 7.744 11.330 -14.376 1.00 0.00 C ATOM 13 OG SER A 2 7.576 10.229 -15.251 1.00 0.00 O ATOM 0 H SER A 2 5.015 12.188 -15.275 1.00 0.00 H new ATOM 0 HA SER A 2 5.789 10.877 -13.608 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.185 12.166 -14.919 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.440 11.063 -13.581 1.00 0.00 H new ATOM 0 HG SER A 2 8.444 9.975 -15.628 1.00 0.00 H new ATOM 19 N SER A 3 5.627 13.139 -11.932 1.00 0.00 N ATOM 20 CA SER A 3 5.723 13.836 -10.655 1.00 0.00 C ATOM 21 C SER A 3 5.844 12.844 -9.502 1.00 0.00 C ATOM 22 O SER A 3 4.860 12.228 -9.093 1.00 0.00 O ATOM 23 CB SER A 3 4.501 14.732 -10.446 1.00 0.00 C ATOM 24 OG SER A 3 4.803 15.814 -9.582 1.00 0.00 O ATOM 0 H SER A 3 4.728 13.242 -12.402 1.00 0.00 H new ATOM 0 HA SER A 3 6.620 14.455 -10.674 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.158 15.115 -11.407 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.683 14.145 -10.027 1.00 0.00 H new ATOM 0 HG SER A 3 4.006 16.372 -9.466 1.00 0.00 H new ATOM 30 N GLY A 4 7.058 12.695 -8.982 1.00 0.00 N ATOM 31 CA GLY A 4 7.287 11.777 -7.882 1.00 0.00 C ATOM 32 C GLY A 4 8.245 10.661 -8.247 1.00 0.00 C ATOM 33 O GLY A 4 7.911 9.782 -9.041 1.00 0.00 O ATOM 0 H GLY A 4 7.888 13.194 -9.303 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.684 12.328 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.336 11.347 -7.568 1.00 0.00 H new ATOM 37 N SER A 5 9.442 10.697 -7.669 1.00 0.00 N ATOM 38 CA SER A 5 10.454 9.684 -7.942 1.00 0.00 C ATOM 39 C SER A 5 10.962 9.059 -6.646 1.00 0.00 C ATOM 40 O SER A 5 11.041 7.837 -6.522 1.00 0.00 O ATOM 41 CB SER A 5 11.621 10.295 -8.719 1.00 0.00 C ATOM 42 OG SER A 5 12.693 9.376 -8.836 1.00 0.00 O ATOM 0 H SER A 5 9.734 11.417 -7.009 1.00 0.00 H new ATOM 0 HA SER A 5 9.995 8.901 -8.546 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.284 10.594 -9.712 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.965 11.198 -8.214 1.00 0.00 H new ATOM 0 HG SER A 5 13.426 9.790 -9.338 1.00 0.00 H new ATOM 48 N SER A 6 11.304 9.908 -5.682 1.00 0.00 N ATOM 49 CA SER A 6 11.808 9.441 -4.396 1.00 0.00 C ATOM 50 C SER A 6 11.056 8.195 -3.938 1.00 0.00 C ATOM 51 O SER A 6 9.878 8.261 -3.591 1.00 0.00 O ATOM 52 CB SER A 6 11.681 10.544 -3.344 1.00 0.00 C ATOM 53 OG SER A 6 12.557 11.622 -3.625 1.00 0.00 O ATOM 0 H SER A 6 11.241 10.922 -5.767 1.00 0.00 H new ATOM 0 HA SER A 6 12.860 9.184 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.653 10.905 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.905 10.137 -2.358 1.00 0.00 H new ATOM 0 HG SER A 6 12.455 12.314 -2.939 1.00 0.00 H new ATOM 59 N GLY A 7 11.748 7.060 -3.940 1.00 0.00 N ATOM 60 CA GLY A 7 11.131 5.814 -3.523 1.00 0.00 C ATOM 61 C GLY A 7 11.739 5.264 -2.248 1.00 0.00 C ATOM 62 O GLY A 7 12.685 5.836 -1.706 1.00 0.00 O ATOM 0 H GLY A 7 12.725 6.981 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.063 5.973 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.235 5.077 -4.319 1.00 0.00 H new ATOM 66 N ASP A 8 11.196 4.151 -1.768 1.00 0.00 N ATOM 67 CA ASP A 8 11.691 3.523 -0.548 1.00 0.00 C ATOM 68 C ASP A 8 12.337 2.176 -0.855 1.00 0.00 C ATOM 69 O ASP A 8 11.742 1.304 -1.487 1.00 0.00 O ATOM 70 CB ASP A 8 10.551 3.340 0.455 1.00 0.00 C ATOM 71 CG ASP A 8 11.025 3.431 1.893 1.00 0.00 C ATOM 72 OD1 ASP A 8 11.983 4.188 2.154 1.00 0.00 O ATOM 73 OD2 ASP A 8 10.438 2.745 2.756 1.00 0.00 O ATOM 0 H ASP A 8 10.413 3.665 -2.205 1.00 0.00 H new ATOM 0 HA ASP A 8 12.446 4.177 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.789 4.099 0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.079 2.371 0.292 1.00 0.00 H new ATOM 78 N PRO A 9 13.586 2.001 -0.397 1.00 0.00 N ATOM 79 CA PRO A 9 14.341 0.762 -0.611 1.00 0.00 C ATOM 80 C PRO A 9 13.777 -0.406 0.192 1.00 0.00 C ATOM 81 O PRO A 9 14.301 -1.518 0.137 1.00 0.00 O ATOM 82 CB PRO A 9 15.748 1.116 -0.124 1.00 0.00 C ATOM 83 CG PRO A 9 15.543 2.217 0.859 1.00 0.00 C ATOM 84 CD PRO A 9 14.356 2.998 0.365 1.00 0.00 C ATOM 0 HA PRO A 9 14.304 0.436 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 9 16.234 0.257 0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 9 16.384 1.436 -0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 9 15.361 1.820 1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.427 2.851 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.775 3.410 1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.659 3.837 -0.262 1.00 0.00 H new ATOM 92 N SER A 10 12.707 -0.145 0.936 1.00 0.00 N ATOM 93 CA SER A 10 12.075 -1.175 1.753 1.00 0.00 C ATOM 94 C SER A 10 10.962 -1.874 0.979 1.00 0.00 C ATOM 95 O SER A 10 10.828 -3.096 1.031 1.00 0.00 O ATOM 96 CB SER A 10 11.513 -0.563 3.037 1.00 0.00 C ATOM 97 OG SER A 10 10.417 0.291 2.758 1.00 0.00 O ATOM 0 H SER A 10 12.260 0.770 0.990 1.00 0.00 H new ATOM 0 HA SER A 10 12.833 -1.914 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.196 -1.357 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.295 -0.001 3.548 1.00 0.00 H new ATOM 0 HG SER A 10 10.719 1.223 2.766 1.00 0.00 H new ATOM 103 N TRP A 11 10.165 -1.089 0.263 1.00 0.00 N ATOM 104 CA TRP A 11 9.062 -1.632 -0.522 1.00 0.00 C ATOM 105 C TRP A 11 9.455 -1.773 -1.988 1.00 0.00 C ATOM 106 O TRP A 11 10.548 -1.371 -2.391 1.00 0.00 O ATOM 107 CB TRP A 11 7.829 -0.735 -0.395 1.00 0.00 C ATOM 108 CG TRP A 11 6.918 -1.133 0.727 1.00 0.00 C ATOM 109 CD1 TRP A 11 7.279 -1.422 2.012 1.00 0.00 C ATOM 110 CD2 TRP A 11 5.496 -1.286 0.663 1.00 0.00 C ATOM 111 NE1 TRP A 11 6.167 -1.746 2.750 1.00 0.00 N ATOM 112 CE2 TRP A 11 5.061 -1.669 1.946 1.00 0.00 C ATOM 113 CE3 TRP A 11 4.549 -1.135 -0.353 1.00 0.00 C ATOM 114 CZ2 TRP A 11 3.720 -1.904 2.237 1.00 0.00 C ATOM 115 CZ3 TRP A 11 3.218 -1.369 -0.063 1.00 0.00 C ATOM 116 CH2 TRP A 11 2.813 -1.749 1.224 1.00 0.00 C ATOM 0 H TRP A 11 10.262 -0.075 0.210 1.00 0.00 H new ATOM 0 HA TRP A 11 8.824 -2.622 -0.133 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.152 0.295 -0.243 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.272 -0.760 -1.332 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.290 -1.399 2.392 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.165 -2.002 3.737 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.852 -0.841 -1.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.406 -2.198 3.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.478 -1.257 -0.841 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.765 -1.923 1.420 1.00 0.00 H new ATOM 127 N THR A 12 8.558 -2.345 -2.785 1.00 0.00 N ATOM 128 CA THR A 12 8.812 -2.540 -4.207 1.00 0.00 C ATOM 129 C THR A 12 7.699 -1.931 -5.052 1.00 0.00 C ATOM 130 O THR A 12 6.585 -1.725 -4.573 1.00 0.00 O ATOM 131 CB THR A 12 8.946 -4.035 -4.554 1.00 0.00 C ATOM 132 OG1 THR A 12 7.785 -4.747 -4.111 1.00 0.00 O ATOM 133 CG2 THR A 12 10.189 -4.630 -3.911 1.00 0.00 C ATOM 0 H THR A 12 7.648 -2.682 -2.469 1.00 0.00 H new ATOM 0 HA THR A 12 9.752 -2.037 -4.432 1.00 0.00 H new ATOM 0 HB THR A 12 9.037 -4.128 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.004 -5.260 -3.305 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.263 -5.686 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.073 -4.105 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.124 -4.526 -2.828 1.00 0.00 H new ATOM 141 N ALA A 13 8.009 -1.646 -6.313 1.00 0.00 N ATOM 142 CA ALA A 13 7.033 -1.063 -7.226 1.00 0.00 C ATOM 143 C ALA A 13 5.759 -1.899 -7.274 1.00 0.00 C ATOM 144 O ALA A 13 4.653 -1.360 -7.266 1.00 0.00 O ATOM 145 CB ALA A 13 7.630 -0.926 -8.619 1.00 0.00 C ATOM 0 H ALA A 13 8.928 -1.809 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 13 6.772 -0.072 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.891 -0.489 -9.290 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.508 -0.281 -8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.920 -1.909 -8.989 1.00 0.00 H new ATOM 151 N GLN A 14 5.923 -3.217 -7.326 1.00 0.00 N ATOM 152 CA GLN A 14 4.784 -4.126 -7.377 1.00 0.00 C ATOM 153 C GLN A 14 3.863 -3.913 -6.180 1.00 0.00 C ATOM 154 O GLN A 14 2.640 -3.907 -6.320 1.00 0.00 O ATOM 155 CB GLN A 14 5.265 -5.578 -7.413 1.00 0.00 C ATOM 156 CG GLN A 14 6.179 -5.887 -8.588 1.00 0.00 C ATOM 157 CD GLN A 14 6.609 -7.340 -8.627 1.00 0.00 C ATOM 158 OE1 GLN A 14 6.142 -8.115 -9.462 1.00 0.00 O ATOM 159 NE2 GLN A 14 7.503 -7.717 -7.721 1.00 0.00 N ATOM 0 H GLN A 14 6.832 -3.679 -7.334 1.00 0.00 H new ATOM 0 HA GLN A 14 4.222 -3.914 -8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.792 -5.801 -6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.399 -6.238 -7.454 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.666 -5.639 -9.517 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.063 -5.252 -8.532 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.863 -7.041 -7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.830 -8.683 -7.698 1.00 0.00 H new ATOM 168 N GLU A 15 4.459 -3.739 -5.005 1.00 0.00 N ATOM 169 CA GLU A 15 3.690 -3.527 -3.784 1.00 0.00 C ATOM 170 C GLU A 15 2.829 -2.272 -3.894 1.00 0.00 C ATOM 171 O GLU A 15 1.648 -2.285 -3.550 1.00 0.00 O ATOM 172 CB GLU A 15 4.626 -3.412 -2.579 1.00 0.00 C ATOM 173 CG GLU A 15 5.174 -4.747 -2.105 1.00 0.00 C ATOM 174 CD GLU A 15 6.552 -4.625 -1.484 1.00 0.00 C ATOM 175 OE1 GLU A 15 6.803 -3.620 -0.787 1.00 0.00 O ATOM 176 OE2 GLU A 15 7.380 -5.536 -1.696 1.00 0.00 O ATOM 0 H GLU A 15 5.470 -3.741 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 15 3.034 -4.386 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.459 -2.758 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.090 -2.936 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.488 -5.179 -1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.219 -5.437 -2.948 1.00 0.00 H new ATOM 183 N GLU A 16 3.431 -1.188 -4.376 1.00 0.00 N ATOM 184 CA GLU A 16 2.719 0.075 -4.530 1.00 0.00 C ATOM 185 C GLU A 16 1.480 -0.101 -5.402 1.00 0.00 C ATOM 186 O GLU A 16 0.358 0.149 -4.963 1.00 0.00 O ATOM 187 CB GLU A 16 3.640 1.133 -5.141 1.00 0.00 C ATOM 188 CG GLU A 16 4.826 1.490 -4.260 1.00 0.00 C ATOM 189 CD GLU A 16 5.415 2.846 -4.597 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.668 3.846 -4.551 1.00 0.00 O ATOM 191 OE2 GLU A 16 6.624 2.908 -4.906 1.00 0.00 O ATOM 0 H GLU A 16 4.409 -1.160 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 16 2.401 0.406 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.007 0.772 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.061 2.035 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.513 1.483 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.596 0.726 -4.367 1.00 0.00 H new ATOM 198 N MET A 17 1.692 -0.533 -6.641 1.00 0.00 N ATOM 199 CA MET A 17 0.592 -0.744 -7.575 1.00 0.00 C ATOM 200 C MET A 17 -0.396 -1.769 -7.029 1.00 0.00 C ATOM 201 O MET A 17 -1.609 -1.570 -7.093 1.00 0.00 O ATOM 202 CB MET A 17 1.129 -1.207 -8.931 1.00 0.00 C ATOM 203 CG MET A 17 1.885 -2.524 -8.868 1.00 0.00 C ATOM 204 SD MET A 17 2.465 -3.071 -10.485 1.00 0.00 S ATOM 205 CE MET A 17 1.922 -4.778 -10.480 1.00 0.00 C ATOM 0 H MET A 17 2.615 -0.744 -7.021 1.00 0.00 H new ATOM 0 HA MET A 17 0.070 0.204 -7.703 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.296 -1.309 -9.627 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.788 -0.438 -9.333 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.738 -2.417 -8.198 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.238 -3.290 -8.441 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.208 -5.254 -11.418 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.389 -5.306 -9.648 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.838 -4.815 -10.371 1.00 0.00 H new ATOM 215 N ALA A 18 0.130 -2.865 -6.493 1.00 0.00 N ATOM 216 CA ALA A 18 -0.707 -3.920 -5.934 1.00 0.00 C ATOM 217 C ALA A 18 -1.593 -3.383 -4.815 1.00 0.00 C ATOM 218 O ALA A 18 -2.762 -3.754 -4.703 1.00 0.00 O ATOM 219 CB ALA A 18 0.157 -5.064 -5.424 1.00 0.00 C ATOM 0 H ALA A 18 1.132 -3.046 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.355 -4.294 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.481 -5.845 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.742 -5.473 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.829 -4.695 -4.649 1.00 0.00 H new ATOM 225 N LEU A 19 -1.029 -2.508 -3.989 1.00 0.00 N ATOM 226 CA LEU A 19 -1.768 -1.921 -2.877 1.00 0.00 C ATOM 227 C LEU A 19 -3.003 -1.176 -3.377 1.00 0.00 C ATOM 228 O LEU A 19 -4.119 -1.428 -2.922 1.00 0.00 O ATOM 229 CB LEU A 19 -0.869 -0.968 -2.088 1.00 0.00 C ATOM 230 CG LEU A 19 -1.393 -0.529 -0.720 1.00 0.00 C ATOM 231 CD1 LEU A 19 -1.718 -1.739 0.141 1.00 0.00 C ATOM 232 CD2 LEU A 19 -0.379 0.367 -0.023 1.00 0.00 C ATOM 0 H LEU A 19 -0.063 -2.190 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.094 -2.729 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.100 -1.448 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.699 -0.077 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.310 0.041 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.089 -1.407 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.480 -2.342 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.818 -2.337 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.769 0.670 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.555 -0.178 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.196 1.252 -0.632 1.00 0.00 H new ATOM 244 N LEU A 20 -2.794 -0.259 -4.315 1.00 0.00 N ATOM 245 CA LEU A 20 -3.890 0.521 -4.879 1.00 0.00 C ATOM 246 C LEU A 20 -4.936 -0.389 -5.514 1.00 0.00 C ATOM 247 O LEU A 20 -6.107 -0.364 -5.135 1.00 0.00 O ATOM 248 CB LEU A 20 -3.357 1.508 -5.919 1.00 0.00 C ATOM 249 CG LEU A 20 -2.525 2.670 -5.377 1.00 0.00 C ATOM 250 CD1 LEU A 20 -1.677 3.281 -6.482 1.00 0.00 C ATOM 251 CD2 LEU A 20 -3.425 3.724 -4.749 1.00 0.00 C ATOM 0 H LEU A 20 -1.876 -0.037 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.363 1.076 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.750 0.956 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.204 1.919 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.858 2.285 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.092 4.107 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.005 2.524 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.326 3.651 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.815 4.543 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.118 4.105 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.988 3.280 -3.928 1.00 0.00 H new ATOM 263 N GLU A 21 -4.505 -1.193 -6.481 1.00 0.00 N ATOM 264 CA GLU A 21 -5.405 -2.113 -7.167 1.00 0.00 C ATOM 265 C GLU A 21 -6.343 -2.796 -6.177 1.00 0.00 C ATOM 266 O GLU A 21 -7.564 -2.733 -6.317 1.00 0.00 O ATOM 267 CB GLU A 21 -4.605 -3.165 -7.938 1.00 0.00 C ATOM 268 CG GLU A 21 -3.870 -2.606 -9.145 1.00 0.00 C ATOM 269 CD GLU A 21 -3.514 -3.677 -10.158 1.00 0.00 C ATOM 270 OE1 GLU A 21 -3.155 -4.797 -9.737 1.00 0.00 O ATOM 271 OE2 GLU A 21 -3.594 -3.396 -11.372 1.00 0.00 O ATOM 0 H GLU A 21 -3.539 -1.226 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.005 -1.536 -7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.882 -3.626 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.281 -3.954 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.490 -1.849 -9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.959 -2.108 -8.813 1.00 0.00 H new ATOM 278 N ALA A 22 -5.763 -3.451 -5.176 1.00 0.00 N ATOM 279 CA ALA A 22 -6.546 -4.145 -4.162 1.00 0.00 C ATOM 280 C ALA A 22 -7.428 -3.172 -3.387 1.00 0.00 C ATOM 281 O ALA A 22 -8.636 -3.376 -3.264 1.00 0.00 O ATOM 282 CB ALA A 22 -5.628 -4.899 -3.211 1.00 0.00 C ATOM 0 H ALA A 22 -4.753 -3.515 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.195 -4.860 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.226 -5.413 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.044 -5.629 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.955 -4.196 -2.721 1.00 0.00 H new ATOM 288 N VAL A 23 -6.816 -2.113 -2.866 1.00 0.00 N ATOM 289 CA VAL A 23 -7.546 -1.107 -2.103 1.00 0.00 C ATOM 290 C VAL A 23 -8.727 -0.563 -2.900 1.00 0.00 C ATOM 291 O VAL A 23 -9.689 -0.049 -2.330 1.00 0.00 O ATOM 292 CB VAL A 23 -6.631 0.064 -1.698 1.00 0.00 C ATOM 293 CG1 VAL A 23 -7.449 1.200 -1.103 1.00 0.00 C ATOM 294 CG2 VAL A 23 -5.566 -0.407 -0.720 1.00 0.00 C ATOM 0 H VAL A 23 -5.817 -1.930 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.914 -1.598 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.131 0.438 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.786 2.018 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.170 1.554 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.978 0.843 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.928 0.433 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.044 -0.808 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.961 -1.184 -1.187 1.00 0.00 H new ATOM 304 N MET A 24 -8.646 -0.681 -4.221 1.00 0.00 N ATOM 305 CA MET A 24 -9.710 -0.202 -5.097 1.00 0.00 C ATOM 306 C MET A 24 -10.662 -1.335 -5.466 1.00 0.00 C ATOM 307 O MET A 24 -11.851 -1.111 -5.693 1.00 0.00 O ATOM 308 CB MET A 24 -9.117 0.414 -6.365 1.00 0.00 C ATOM 309 CG MET A 24 -8.076 1.488 -6.090 1.00 0.00 C ATOM 310 SD MET A 24 -8.795 3.138 -5.977 1.00 0.00 S ATOM 311 CE MET A 24 -8.467 3.763 -7.624 1.00 0.00 C ATOM 0 H MET A 24 -7.856 -1.104 -4.708 1.00 0.00 H new ATOM 0 HA MET A 24 -10.273 0.561 -4.560 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.663 -0.375 -6.964 1.00 0.00 H new ATOM 0 HB3 MET A 24 -9.922 0.844 -6.961 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.558 1.257 -5.159 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.328 1.475 -6.883 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.854 4.778 -7.712 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.392 3.767 -7.804 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.956 3.124 -8.360 1.00 0.00 H new ATOM 321 N ASP A 25 -10.132 -2.552 -5.524 1.00 0.00 N ATOM 322 CA ASP A 25 -10.935 -3.721 -5.865 1.00 0.00 C ATOM 323 C ASP A 25 -11.857 -4.101 -4.711 1.00 0.00 C ATOM 324 O ASP A 25 -13.000 -4.508 -4.925 1.00 0.00 O ATOM 325 CB ASP A 25 -10.031 -4.901 -6.221 1.00 0.00 C ATOM 326 CG ASP A 25 -9.737 -4.977 -7.707 1.00 0.00 C ATOM 327 OD1 ASP A 25 -9.854 -3.938 -8.389 1.00 0.00 O ATOM 328 OD2 ASP A 25 -9.389 -6.076 -8.187 1.00 0.00 O ATOM 0 H ASP A 25 -9.150 -2.755 -5.339 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.549 -3.470 -6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.093 -4.815 -5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.505 -5.828 -5.899 1.00 0.00 H new ATOM 333 N CYS A 26 -11.354 -3.967 -3.489 1.00 0.00 N ATOM 334 CA CYS A 26 -12.132 -4.299 -2.301 1.00 0.00 C ATOM 335 C CYS A 26 -12.609 -3.034 -1.593 1.00 0.00 C ATOM 336 O CYS A 26 -13.810 -2.790 -1.479 1.00 0.00 O ATOM 337 CB CYS A 26 -11.300 -5.151 -1.342 1.00 0.00 C ATOM 338 SG CYS A 26 -12.250 -5.879 0.014 1.00 0.00 S ATOM 0 H CYS A 26 -10.411 -3.631 -3.295 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.006 -4.869 -2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.821 -5.951 -1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.504 -4.535 -0.924 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.875 -6.936 -0.413 1.00 0.00 H new ATOM 344 N GLY A 27 -11.660 -2.235 -1.117 1.00 0.00 N ATOM 345 CA GLY A 27 -12.003 -1.006 -0.424 1.00 0.00 C ATOM 346 C GLY A 27 -11.024 -0.672 0.683 1.00 0.00 C ATOM 347 O GLY A 27 -10.104 -1.442 0.962 1.00 0.00 O ATOM 0 H GLY A 27 -10.660 -2.416 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.031 -0.185 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.005 -1.097 -0.004 1.00 0.00 H new ATOM 351 N PHE A 28 -11.220 0.480 1.317 1.00 0.00 N ATOM 352 CA PHE A 28 -10.345 0.915 2.399 1.00 0.00 C ATOM 353 C PHE A 28 -10.729 0.243 3.714 1.00 0.00 C ATOM 354 O PHE A 28 -11.885 -0.123 3.922 1.00 0.00 O ATOM 355 CB PHE A 28 -10.408 2.436 2.553 1.00 0.00 C ATOM 356 CG PHE A 28 -9.443 2.977 3.570 1.00 0.00 C ATOM 357 CD1 PHE A 28 -8.140 3.283 3.214 1.00 0.00 C ATOM 358 CD2 PHE A 28 -9.840 3.178 4.882 1.00 0.00 C ATOM 359 CE1 PHE A 28 -7.250 3.780 4.147 1.00 0.00 C ATOM 360 CE2 PHE A 28 -8.955 3.675 5.819 1.00 0.00 C ATOM 361 CZ PHE A 28 -7.658 3.976 5.452 1.00 0.00 C ATOM 0 H PHE A 28 -11.977 1.128 1.100 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.325 0.623 2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.204 2.900 1.588 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.421 2.723 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.816 3.131 2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.853 2.944 5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.237 4.015 3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.277 3.828 6.838 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.965 4.364 6.184 1.00 0.00 H new ATOM 371 N GLY A 29 -9.750 0.084 4.599 1.00 0.00 N ATOM 372 CA GLY A 29 -10.004 -0.544 5.882 1.00 0.00 C ATOM 373 C GLY A 29 -9.936 -2.057 5.810 1.00 0.00 C ATOM 374 O GLY A 29 -9.670 -2.721 6.812 1.00 0.00 O ATOM 0 H GLY A 29 -8.785 0.379 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.276 -0.185 6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.988 -0.244 6.241 1.00 0.00 H new ATOM 378 N ASN A 30 -10.179 -2.603 4.623 1.00 0.00 N ATOM 379 CA ASN A 30 -10.146 -4.048 4.426 1.00 0.00 C ATOM 380 C ASN A 30 -8.710 -4.545 4.284 1.00 0.00 C ATOM 381 O ASN A 30 -8.410 -5.367 3.418 1.00 0.00 O ATOM 382 CB ASN A 30 -10.955 -4.433 3.186 1.00 0.00 C ATOM 383 CG ASN A 30 -12.347 -3.832 3.195 1.00 0.00 C ATOM 384 OD1 ASN A 30 -13.076 -3.940 4.181 1.00 0.00 O ATOM 385 ND2 ASN A 30 -12.723 -3.193 2.092 1.00 0.00 N ATOM 0 H ASN A 30 -10.401 -2.067 3.784 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.590 -4.519 5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.425 -4.102 2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.031 -5.519 3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.649 -2.768 2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.086 -3.128 1.298 1.00 0.00 H new ATOM 392 N TRP A 31 -7.829 -4.041 5.141 1.00 0.00 N ATOM 393 CA TRP A 31 -6.424 -4.435 5.112 1.00 0.00 C ATOM 394 C TRP A 31 -6.284 -5.935 4.882 1.00 0.00 C ATOM 395 O TRP A 31 -5.311 -6.391 4.282 1.00 0.00 O ATOM 396 CB TRP A 31 -5.736 -4.039 6.419 1.00 0.00 C ATOM 397 CG TRP A 31 -5.889 -2.587 6.756 1.00 0.00 C ATOM 398 CD1 TRP A 31 -6.319 -2.061 7.941 1.00 0.00 C ATOM 399 CD2 TRP A 31 -5.615 -1.475 5.897 1.00 0.00 C ATOM 400 NE1 TRP A 31 -6.329 -0.689 7.870 1.00 0.00 N ATOM 401 CE2 TRP A 31 -5.901 -0.304 6.627 1.00 0.00 C ATOM 402 CE3 TRP A 31 -5.155 -1.353 4.583 1.00 0.00 C ATOM 403 CZ2 TRP A 31 -5.742 0.968 6.085 1.00 0.00 C ATOM 404 CZ3 TRP A 31 -4.998 -0.089 4.047 1.00 0.00 C ATOM 405 CH2 TRP A 31 -5.290 1.058 4.797 1.00 0.00 C ATOM 0 H TRP A 31 -8.062 -3.360 5.864 1.00 0.00 H new ATOM 0 HA TRP A 31 -5.943 -3.914 4.284 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.145 -4.638 7.232 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.675 -4.278 6.349 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.609 -2.639 8.806 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.610 -0.059 8.621 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.926 -2.231 3.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.968 1.853 6.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.644 0.017 3.032 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.156 2.032 4.350 1.00 0.00 H new ATOM 416 N GLN A 32 -7.261 -6.697 5.363 1.00 0.00 N ATOM 417 CA GLN A 32 -7.245 -8.147 5.209 1.00 0.00 C ATOM 418 C GLN A 32 -7.381 -8.541 3.742 1.00 0.00 C ATOM 419 O GLN A 32 -6.509 -9.209 3.185 1.00 0.00 O ATOM 420 CB GLN A 32 -8.372 -8.781 6.026 1.00 0.00 C ATOM 421 CG GLN A 32 -8.561 -10.264 5.755 1.00 0.00 C ATOM 422 CD GLN A 32 -7.737 -11.136 6.682 1.00 0.00 C ATOM 423 OE1 GLN A 32 -8.115 -11.373 7.829 1.00 0.00 O ATOM 424 NE2 GLN A 32 -6.602 -11.619 6.188 1.00 0.00 N ATOM 0 H GLN A 32 -8.073 -6.335 5.862 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.287 -8.515 5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.165 -8.638 7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.304 -8.259 5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.615 -10.518 5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.287 -10.479 4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.327 -11.397 5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.006 -12.212 6.766 1.00 0.00 H new ATOM 433 N ASP A 33 -8.479 -8.123 3.122 1.00 0.00 N ATOM 434 CA ASP A 33 -8.728 -8.432 1.719 1.00 0.00 C ATOM 435 C ASP A 33 -7.578 -7.945 0.842 1.00 0.00 C ATOM 436 O ASP A 33 -7.155 -8.636 -0.084 1.00 0.00 O ATOM 437 CB ASP A 33 -10.041 -7.794 1.260 1.00 0.00 C ATOM 438 CG ASP A 33 -10.715 -8.586 0.157 1.00 0.00 C ATOM 439 OD1 ASP A 33 -11.342 -9.621 0.468 1.00 0.00 O ATOM 440 OD2 ASP A 33 -10.616 -8.172 -1.016 1.00 0.00 O ATOM 0 H ASP A 33 -9.210 -7.570 3.569 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.804 -9.515 1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.718 -7.712 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.846 -6.781 0.909 1.00 0.00 H new ATOM 445 N VAL A 34 -7.077 -6.751 1.142 1.00 0.00 N ATOM 446 CA VAL A 34 -5.976 -6.172 0.381 1.00 0.00 C ATOM 447 C VAL A 34 -4.709 -7.006 0.527 1.00 0.00 C ATOM 448 O VAL A 34 -3.943 -7.161 -0.424 1.00 0.00 O ATOM 449 CB VAL A 34 -5.682 -4.728 0.831 1.00 0.00 C ATOM 450 CG1 VAL A 34 -4.547 -4.134 0.011 1.00 0.00 C ATOM 451 CG2 VAL A 34 -6.934 -3.871 0.724 1.00 0.00 C ATOM 0 H VAL A 34 -7.416 -6.166 1.906 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.283 -6.164 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.372 -4.747 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.353 -3.114 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.648 -4.736 0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.825 -4.126 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.708 -2.854 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.277 -3.856 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.715 -4.287 1.360 1.00 0.00 H new ATOM 461 N ALA A 35 -4.495 -7.543 1.723 1.00 0.00 N ATOM 462 CA ALA A 35 -3.321 -8.365 1.993 1.00 0.00 C ATOM 463 C ALA A 35 -3.187 -9.483 0.966 1.00 0.00 C ATOM 464 O ALA A 35 -2.124 -10.089 0.829 1.00 0.00 O ATOM 465 CB ALA A 35 -3.393 -8.942 3.399 1.00 0.00 C ATOM 0 H ALA A 35 -5.119 -7.424 2.521 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.438 -7.731 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.510 -9.553 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.433 -8.129 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.288 -9.557 3.494 1.00 0.00 H new ATOM 471 N ASN A 36 -4.271 -9.753 0.246 1.00 0.00 N ATOM 472 CA ASN A 36 -4.273 -10.801 -0.769 1.00 0.00 C ATOM 473 C ASN A 36 -3.102 -10.629 -1.732 1.00 0.00 C ATOM 474 O ASN A 36 -2.235 -11.496 -1.830 1.00 0.00 O ATOM 475 CB ASN A 36 -5.592 -10.785 -1.544 1.00 0.00 C ATOM 476 CG ASN A 36 -6.680 -11.583 -0.851 1.00 0.00 C ATOM 477 OD1 ASN A 36 -7.197 -12.556 -1.400 1.00 0.00 O ATOM 478 ND2 ASN A 36 -7.033 -11.172 0.361 1.00 0.00 N ATOM 0 H ASN A 36 -5.159 -9.261 0.346 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.166 -11.761 -0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.925 -9.754 -1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.428 -11.190 -2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.760 -11.668 0.876 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.577 -10.360 0.777 1.00 0.00 H new ATOM 485 N GLN A 37 -3.085 -9.503 -2.439 1.00 0.00 N ATOM 486 CA GLN A 37 -2.021 -9.218 -3.394 1.00 0.00 C ATOM 487 C GLN A 37 -0.833 -8.556 -2.703 1.00 0.00 C ATOM 488 O GLN A 37 0.271 -8.518 -3.246 1.00 0.00 O ATOM 489 CB GLN A 37 -2.541 -8.316 -4.515 1.00 0.00 C ATOM 490 CG GLN A 37 -3.469 -9.028 -5.486 1.00 0.00 C ATOM 491 CD GLN A 37 -3.770 -8.199 -6.719 1.00 0.00 C ATOM 492 OE1 GLN A 37 -3.039 -8.249 -7.709 1.00 0.00 O ATOM 493 NE2 GLN A 37 -4.851 -7.429 -6.666 1.00 0.00 N ATOM 0 H GLN A 37 -3.795 -8.774 -2.368 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.689 -10.164 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.069 -7.470 -4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.693 -7.910 -5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.017 -9.972 -5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.403 -9.270 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.429 -7.418 -5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.103 -6.849 -7.466 1.00 0.00 H new ATOM 502 N MET A 38 -1.067 -8.036 -1.503 1.00 0.00 N ATOM 503 CA MET A 38 -0.016 -7.376 -0.737 1.00 0.00 C ATOM 504 C MET A 38 0.666 -8.359 0.210 1.00 0.00 C ATOM 505 O MET A 38 1.613 -8.004 0.912 1.00 0.00 O ATOM 506 CB MET A 38 -0.592 -6.202 0.056 1.00 0.00 C ATOM 507 CG MET A 38 -1.264 -5.153 -0.814 1.00 0.00 C ATOM 508 SD MET A 38 -0.142 -4.435 -2.029 1.00 0.00 S ATOM 509 CE MET A 38 1.273 -4.053 -0.999 1.00 0.00 C ATOM 0 H MET A 38 -1.975 -8.059 -1.040 1.00 0.00 H new ATOM 0 HA MET A 38 0.728 -7.000 -1.439 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.315 -6.582 0.777 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.209 -5.731 0.626 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.112 -5.604 -1.330 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.661 -4.361 -0.180 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.901 -3.318 -1.502 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.931 -3.647 -0.047 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.849 -4.961 -0.820 1.00 0.00 H new ATOM 519 N CYS A 39 0.178 -9.595 0.224 1.00 0.00 N ATOM 520 CA CYS A 39 0.740 -10.629 1.086 1.00 0.00 C ATOM 521 C CYS A 39 2.238 -10.420 1.279 1.00 0.00 C ATOM 522 O CYS A 39 2.795 -10.766 2.322 1.00 0.00 O ATOM 523 CB CYS A 39 0.477 -12.014 0.493 1.00 0.00 C ATOM 524 SG CYS A 39 0.692 -13.372 1.668 1.00 0.00 S ATOM 0 H CYS A 39 -0.605 -9.905 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 39 0.254 -10.561 2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.540 -12.043 0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.148 -12.169 -0.352 1.00 0.00 H new ATOM 0 HG CYS A 39 0.446 -14.502 1.075 1.00 0.00 H new ATOM 530 N THR A 40 2.888 -9.855 0.266 1.00 0.00 N ATOM 531 CA THR A 40 4.322 -9.603 0.323 1.00 0.00 C ATOM 532 C THR A 40 4.712 -8.936 1.637 1.00 0.00 C ATOM 533 O THR A 40 5.887 -8.900 2.003 1.00 0.00 O ATOM 534 CB THR A 40 4.783 -8.713 -0.847 1.00 0.00 C ATOM 535 OG1 THR A 40 6.121 -8.258 -0.618 1.00 0.00 O ATOM 536 CG2 THR A 40 3.857 -7.518 -1.016 1.00 0.00 C ATOM 0 H THR A 40 2.443 -9.563 -0.604 1.00 0.00 H new ATOM 0 HA THR A 40 4.816 -10.572 0.250 1.00 0.00 H new ATOM 0 HB THR A 40 4.753 -9.307 -1.760 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.331 -8.327 0.337 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.203 -6.904 -1.848 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.845 -7.868 -1.219 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.859 -6.924 -0.102 1.00 0.00 H new ATOM 544 N LYS A 41 3.718 -8.410 2.346 1.00 0.00 N ATOM 545 CA LYS A 41 3.956 -7.746 3.622 1.00 0.00 C ATOM 546 C LYS A 41 2.799 -7.989 4.586 1.00 0.00 C ATOM 547 O LYS A 41 1.872 -8.742 4.283 1.00 0.00 O ATOM 548 CB LYS A 41 4.150 -6.243 3.410 1.00 0.00 C ATOM 549 CG LYS A 41 5.300 -5.903 2.478 1.00 0.00 C ATOM 550 CD LYS A 41 6.624 -5.849 3.223 1.00 0.00 C ATOM 551 CE LYS A 41 7.693 -5.137 2.409 1.00 0.00 C ATOM 552 NZ LYS A 41 8.366 -6.057 1.452 1.00 0.00 N ATOM 0 H LYS A 41 2.740 -8.431 2.058 1.00 0.00 H new ATOM 0 HA LYS A 41 4.863 -8.165 4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.230 -5.820 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.323 -5.768 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.358 -6.647 1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.111 -4.942 2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.487 -5.335 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.955 -6.862 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.241 -4.310 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.435 -4.706 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.391 -5.883 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.178 -7.042 1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.000 -5.889 0.493 1.00 0.00 H new ATOM 566 N THR A 42 2.857 -7.346 5.748 1.00 0.00 N ATOM 567 CA THR A 42 1.815 -7.492 6.755 1.00 0.00 C ATOM 568 C THR A 42 0.707 -6.464 6.554 1.00 0.00 C ATOM 569 O THR A 42 0.975 -5.280 6.344 1.00 0.00 O ATOM 570 CB THR A 42 2.384 -7.343 8.179 1.00 0.00 C ATOM 571 OG1 THR A 42 2.950 -6.039 8.346 1.00 0.00 O ATOM 572 CG2 THR A 42 3.444 -8.400 8.450 1.00 0.00 C ATOM 0 H THR A 42 3.616 -6.719 6.015 1.00 0.00 H new ATOM 0 HA THR A 42 1.403 -8.494 6.639 1.00 0.00 H new ATOM 0 HB THR A 42 1.568 -7.478 8.889 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.308 -5.952 9.254 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.832 -8.276 9.461 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.003 -9.392 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.258 -8.291 7.733 1.00 0.00 H new ATOM 580 N LYS A 43 -0.538 -6.922 6.619 1.00 0.00 N ATOM 581 CA LYS A 43 -1.688 -6.042 6.445 1.00 0.00 C ATOM 582 C LYS A 43 -1.455 -4.701 7.133 1.00 0.00 C ATOM 583 O LYS A 43 -1.856 -3.655 6.623 1.00 0.00 O ATOM 584 CB LYS A 43 -2.950 -6.702 7.005 1.00 0.00 C ATOM 585 CG LYS A 43 -2.887 -6.966 8.500 1.00 0.00 C ATOM 586 CD LYS A 43 -3.706 -8.186 8.886 1.00 0.00 C ATOM 587 CE LYS A 43 -4.283 -8.049 10.286 1.00 0.00 C ATOM 588 NZ LYS A 43 -3.363 -8.596 11.322 1.00 0.00 N ATOM 0 H LYS A 43 -0.777 -7.899 6.791 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.821 -5.865 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.808 -6.064 6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.118 -7.645 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.850 -7.113 8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.255 -6.094 9.040 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.516 -8.324 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.080 -9.077 8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.482 -6.998 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.239 -8.571 10.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.793 -8.484 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.193 -9.605 11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.460 -8.082 11.291 1.00 0.00 H new ATOM 602 N GLU A 44 -0.804 -4.739 8.291 1.00 0.00 N ATOM 603 CA GLU A 44 -0.518 -3.526 9.047 1.00 0.00 C ATOM 604 C GLU A 44 0.377 -2.584 8.246 1.00 0.00 C ATOM 605 O GLU A 44 0.134 -1.379 8.190 1.00 0.00 O ATOM 606 CB GLU A 44 0.152 -3.873 10.378 1.00 0.00 C ATOM 607 CG GLU A 44 -0.781 -4.547 11.371 1.00 0.00 C ATOM 608 CD GLU A 44 -1.824 -3.597 11.928 1.00 0.00 C ATOM 609 OE1 GLU A 44 -1.476 -2.432 12.210 1.00 0.00 O ATOM 610 OE2 GLU A 44 -2.988 -4.021 12.082 1.00 0.00 O ATOM 0 H GLU A 44 -0.465 -5.597 8.726 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.464 -3.021 9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.002 -4.529 10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.547 -2.961 10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.281 -5.384 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.195 -4.960 12.192 1.00 0.00 H new ATOM 617 N GLU A 45 1.412 -3.144 7.627 1.00 0.00 N ATOM 618 CA GLU A 45 2.343 -2.354 6.830 1.00 0.00 C ATOM 619 C GLU A 45 1.657 -1.794 5.588 1.00 0.00 C ATOM 620 O GLU A 45 1.990 -0.705 5.119 1.00 0.00 O ATOM 621 CB GLU A 45 3.548 -3.204 6.422 1.00 0.00 C ATOM 622 CG GLU A 45 4.528 -3.456 7.555 1.00 0.00 C ATOM 623 CD GLU A 45 5.668 -4.369 7.149 1.00 0.00 C ATOM 624 OE1 GLU A 45 5.403 -5.379 6.463 1.00 0.00 O ATOM 625 OE2 GLU A 45 6.825 -4.076 7.517 1.00 0.00 O ATOM 0 H GLU A 45 1.626 -4.141 7.662 1.00 0.00 H new ATOM 0 HA GLU A 45 2.687 -1.519 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.194 -4.161 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.071 -2.708 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.934 -2.504 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.997 -3.897 8.398 1.00 0.00 H new ATOM 632 N CYS A 46 0.699 -2.547 5.059 1.00 0.00 N ATOM 633 CA CYS A 46 -0.034 -2.127 3.870 1.00 0.00 C ATOM 634 C CYS A 46 -0.802 -0.836 4.132 1.00 0.00 C ATOM 635 O CYS A 46 -1.027 -0.040 3.220 1.00 0.00 O ATOM 636 CB CYS A 46 -0.999 -3.227 3.425 1.00 0.00 C ATOM 637 SG CYS A 46 -0.222 -4.844 3.201 1.00 0.00 S ATOM 0 H CYS A 46 0.412 -3.451 5.434 1.00 0.00 H new ATOM 0 HA CYS A 46 0.688 -1.944 3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.795 -3.318 4.164 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.467 -2.928 2.487 1.00 0.00 H new ATOM 0 HG CYS A 46 0.395 -5.184 4.293 1.00 0.00 H new ATOM 643 N GLU A 47 -1.204 -0.635 5.383 1.00 0.00 N ATOM 644 CA GLU A 47 -1.949 0.559 5.764 1.00 0.00 C ATOM 645 C GLU A 47 -1.026 1.770 5.857 1.00 0.00 C ATOM 646 O GLU A 47 -1.148 2.719 5.083 1.00 0.00 O ATOM 647 CB GLU A 47 -2.658 0.339 7.102 1.00 0.00 C ATOM 648 CG GLU A 47 -3.123 1.626 7.763 1.00 0.00 C ATOM 649 CD GLU A 47 -3.534 1.424 9.208 1.00 0.00 C ATOM 650 OE1 GLU A 47 -3.004 0.495 9.851 1.00 0.00 O ATOM 651 OE2 GLU A 47 -4.387 2.196 9.696 1.00 0.00 O ATOM 0 H GLU A 47 -1.026 -1.284 6.150 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.695 0.752 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.519 -0.311 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.983 -0.184 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.322 2.364 7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.965 2.034 7.203 1.00 0.00 H new ATOM 658 N LYS A 48 -0.102 1.729 6.811 1.00 0.00 N ATOM 659 CA LYS A 48 0.844 2.822 7.008 1.00 0.00 C ATOM 660 C LYS A 48 1.418 3.290 5.675 1.00 0.00 C ATOM 661 O LYS A 48 1.260 4.450 5.292 1.00 0.00 O ATOM 662 CB LYS A 48 1.977 2.381 7.937 1.00 0.00 C ATOM 663 CG LYS A 48 1.497 1.894 9.293 1.00 0.00 C ATOM 664 CD LYS A 48 1.415 3.031 10.298 1.00 0.00 C ATOM 665 CE LYS A 48 2.734 3.224 11.030 1.00 0.00 C ATOM 666 NZ LYS A 48 3.864 3.452 10.087 1.00 0.00 N ATOM 0 H LYS A 48 0.012 0.951 7.460 1.00 0.00 H new ATOM 0 HA LYS A 48 0.310 3.655 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.543 1.584 7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.662 3.216 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.517 1.429 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.175 1.126 9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.145 3.953 9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.624 2.824 11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.651 4.072 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.942 2.345 11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.720 3.696 10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.036 2.587 9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.626 4.232 9.442 1.00 0.00 H new ATOM 680 N HIS A 49 2.085 2.381 4.971 1.00 0.00 N ATOM 681 CA HIS A 49 2.682 2.702 3.679 1.00 0.00 C ATOM 682 C HIS A 49 1.701 3.478 2.805 1.00 0.00 C ATOM 683 O HIS A 49 2.068 4.469 2.173 1.00 0.00 O ATOM 684 CB HIS A 49 3.117 1.423 2.963 1.00 0.00 C ATOM 685 CG HIS A 49 3.832 1.673 1.671 1.00 0.00 C ATOM 686 ND1 HIS A 49 5.201 1.812 1.582 1.00 0.00 N ATOM 687 CD2 HIS A 49 3.359 1.808 0.409 1.00 0.00 C ATOM 688 CE1 HIS A 49 5.539 2.023 0.322 1.00 0.00 C ATOM 689 NE2 HIS A 49 4.439 2.025 -0.410 1.00 0.00 N ATOM 0 H HIS A 49 2.226 1.417 5.273 1.00 0.00 H new ATOM 0 HA HIS A 49 3.557 3.327 3.856 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.768 0.850 3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.238 0.808 2.769 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.851 1.760 2.366 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.324 1.755 0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.544 2.169 -0.047 1.00 0.00 H new ATOM 698 N TYR A 50 0.454 3.022 2.775 1.00 0.00 N ATOM 699 CA TYR A 50 -0.579 3.672 1.977 1.00 0.00 C ATOM 700 C TYR A 50 -0.850 5.085 2.484 1.00 0.00 C ATOM 701 O TYR A 50 -0.687 6.061 1.752 1.00 0.00 O ATOM 702 CB TYR A 50 -1.869 2.851 2.006 1.00 0.00 C ATOM 703 CG TYR A 50 -3.021 3.507 1.281 1.00 0.00 C ATOM 704 CD1 TYR A 50 -3.677 4.604 1.826 1.00 0.00 C ATOM 705 CD2 TYR A 50 -3.455 3.031 0.050 1.00 0.00 C ATOM 706 CE1 TYR A 50 -4.731 5.206 1.167 1.00 0.00 C ATOM 707 CE2 TYR A 50 -4.507 3.628 -0.617 1.00 0.00 C ATOM 708 CZ TYR A 50 -5.142 4.715 -0.054 1.00 0.00 C ATOM 709 OH TYR A 50 -6.192 5.312 -0.715 1.00 0.00 O ATOM 0 H TYR A 50 0.134 2.205 3.294 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.221 3.736 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.679 1.875 1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.156 2.677 3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.357 4.993 2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.961 2.179 -0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.231 6.057 1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.830 3.246 -1.574 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.354 4.845 -1.561 1.00 0.00 H new ATOM 719 N MET A 51 -1.265 5.186 3.742 1.00 0.00 N ATOM 720 CA MET A 51 -1.558 6.479 4.349 1.00 0.00 C ATOM 721 C MET A 51 -0.309 7.353 4.395 1.00 0.00 C ATOM 722 O MET A 51 -0.396 8.570 4.561 1.00 0.00 O ATOM 723 CB MET A 51 -2.114 6.289 5.762 1.00 0.00 C ATOM 724 CG MET A 51 -3.398 5.477 5.806 1.00 0.00 C ATOM 725 SD MET A 51 -4.348 5.761 7.312 1.00 0.00 S ATOM 726 CE MET A 51 -5.161 7.306 6.913 1.00 0.00 C ATOM 0 H MET A 51 -1.406 4.388 4.361 1.00 0.00 H new ATOM 0 HA MET A 51 -2.308 6.979 3.736 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.361 5.796 6.377 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.297 7.267 6.206 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.012 5.728 4.941 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.156 4.417 5.728 1.00 0.00 H new ATOM 0 HE1 MET A 51 -5.267 7.906 7.817 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.565 7.853 6.182 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.147 7.101 6.496 1.00 0.00 H new ATOM 736 N LYS A 52 0.853 6.726 4.247 1.00 0.00 N ATOM 737 CA LYS A 52 2.120 7.446 4.270 1.00 0.00 C ATOM 738 C LYS A 52 2.214 8.420 3.100 1.00 0.00 C ATOM 739 O LYS A 52 2.350 9.629 3.296 1.00 0.00 O ATOM 740 CB LYS A 52 3.291 6.462 4.223 1.00 0.00 C ATOM 741 CG LYS A 52 4.640 7.107 4.487 1.00 0.00 C ATOM 742 CD LYS A 52 5.781 6.136 4.239 1.00 0.00 C ATOM 743 CE LYS A 52 7.117 6.724 4.668 1.00 0.00 C ATOM 744 NZ LYS A 52 8.253 5.817 4.342 1.00 0.00 N ATOM 0 H LYS A 52 0.943 5.719 4.110 1.00 0.00 H new ATOM 0 HA LYS A 52 2.168 8.015 5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.124 5.676 4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.312 5.983 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.758 7.980 3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.680 7.461 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.598 5.210 4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.818 5.880 3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.266 7.685 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.102 6.916 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.145 6.254 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.124 4.909 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.284 5.654 3.315 1.00 0.00 H new ATOM 758 N TYR A 53 2.139 7.888 1.886 1.00 0.00 N ATOM 759 CA TYR A 53 2.216 8.711 0.685 1.00 0.00 C ATOM 760 C TYR A 53 0.827 9.157 0.239 1.00 0.00 C ATOM 761 O TYR A 53 0.511 10.347 0.248 1.00 0.00 O ATOM 762 CB TYR A 53 2.903 7.940 -0.444 1.00 0.00 C ATOM 763 CG TYR A 53 4.325 7.540 -0.125 1.00 0.00 C ATOM 764 CD1 TYR A 53 5.390 8.377 -0.435 1.00 0.00 C ATOM 765 CD2 TYR A 53 4.605 6.324 0.487 1.00 0.00 C ATOM 766 CE1 TYR A 53 6.691 8.014 -0.146 1.00 0.00 C ATOM 767 CE2 TYR A 53 5.903 5.954 0.781 1.00 0.00 C ATOM 768 CZ TYR A 53 6.943 6.802 0.462 1.00 0.00 C ATOM 769 OH TYR A 53 8.238 6.438 0.753 1.00 0.00 O ATOM 0 H TYR A 53 2.025 6.890 1.707 1.00 0.00 H new ATOM 0 HA TYR A 53 2.804 9.598 0.921 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.323 7.044 -0.666 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.900 8.553 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.197 9.328 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.794 5.657 0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.507 8.676 -0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.102 5.006 1.258 1.00 0.00 H new ATOM 0 HH TYR A 53 8.242 5.556 1.181 1.00 0.00 H new ATOM 779 N PHE A 54 -0.001 8.192 -0.150 1.00 0.00 N ATOM 780 CA PHE A 54 -1.357 8.483 -0.599 1.00 0.00 C ATOM 781 C PHE A 54 -2.043 9.467 0.343 1.00 0.00 C ATOM 782 O PHE A 54 -2.404 10.575 -0.054 1.00 0.00 O ATOM 783 CB PHE A 54 -2.174 7.192 -0.691 1.00 0.00 C ATOM 784 CG PHE A 54 -1.634 6.210 -1.690 1.00 0.00 C ATOM 785 CD1 PHE A 54 -1.410 6.591 -3.004 1.00 0.00 C ATOM 786 CD2 PHE A 54 -1.350 4.907 -1.317 1.00 0.00 C ATOM 787 CE1 PHE A 54 -0.914 5.688 -3.926 1.00 0.00 C ATOM 788 CE2 PHE A 54 -0.853 4.000 -2.234 1.00 0.00 C ATOM 789 CZ PHE A 54 -0.634 4.392 -3.540 1.00 0.00 C ATOM 0 H PHE A 54 0.244 7.202 -0.163 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.296 8.938 -1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.204 6.720 0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.202 7.440 -0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.625 7.604 -3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.519 4.596 -0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.746 5.996 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.636 2.987 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.244 3.686 -4.258 1.00 0.00 H new ATOM 799 N SER A 55 -2.220 9.054 1.594 1.00 0.00 N ATOM 800 CA SER A 55 -2.867 9.897 2.593 1.00 0.00 C ATOM 801 C SER A 55 -1.832 10.684 3.392 1.00 0.00 C ATOM 802 O SER A 55 -1.912 10.771 4.616 1.00 0.00 O ATOM 803 CB SER A 55 -3.716 9.044 3.538 1.00 0.00 C ATOM 804 OG SER A 55 -4.817 9.782 4.040 1.00 0.00 O ATOM 0 H SER A 55 -1.925 8.141 1.940 1.00 0.00 H new ATOM 0 HA SER A 55 -3.514 10.604 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.076 8.160 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.102 8.692 4.367 1.00 0.00 H new ATOM 0 HG SER A 55 -4.490 10.560 4.538 1.00 0.00 H new ATOM 810 N GLY A 56 -0.860 11.256 2.688 1.00 0.00 N ATOM 811 CA GLY A 56 0.177 12.029 3.346 1.00 0.00 C ATOM 812 C GLY A 56 0.411 13.371 2.681 1.00 0.00 C ATOM 813 O GLY A 56 -0.448 13.894 1.972 1.00 0.00 O ATOM 0 H GLY A 56 -0.772 11.198 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.098 12.187 4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.106 11.459 3.345 1.00 0.00 H new ATOM 817 N PRO A 57 1.599 13.950 2.911 1.00 0.00 N ATOM 818 CA PRO A 57 1.970 15.248 2.339 1.00 0.00 C ATOM 819 C PRO A 57 2.186 15.176 0.831 1.00 0.00 C ATOM 820 O PRO A 57 3.153 14.577 0.361 1.00 0.00 O ATOM 821 CB PRO A 57 3.281 15.587 3.051 1.00 0.00 C ATOM 822 CG PRO A 57 3.849 14.269 3.449 1.00 0.00 C ATOM 823 CD PRO A 57 2.670 13.383 3.746 1.00 0.00 C ATOM 0 HA PRO A 57 1.188 15.994 2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.960 16.128 2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.107 16.221 3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.460 13.850 2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.492 14.369 4.323 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.873 12.344 3.488 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.408 13.403 4.804 1.00 0.00 H new ATOM 831 N SER A 58 1.280 15.790 0.078 1.00 0.00 N ATOM 832 CA SER A 58 1.370 15.793 -1.378 1.00 0.00 C ATOM 833 C SER A 58 1.682 17.192 -1.900 1.00 0.00 C ATOM 834 O SER A 58 1.225 18.190 -1.344 1.00 0.00 O ATOM 835 CB SER A 58 0.064 15.286 -1.992 1.00 0.00 C ATOM 836 OG SER A 58 -0.189 13.943 -1.617 1.00 0.00 O ATOM 0 H SER A 58 0.475 16.292 0.452 1.00 0.00 H new ATOM 0 HA SER A 58 2.182 15.126 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.763 15.919 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.117 15.360 -3.078 1.00 0.00 H new ATOM 0 HG SER A 58 -1.030 13.643 -2.021 1.00 0.00 H new ATOM 842 N SER A 59 2.463 17.255 -2.974 1.00 0.00 N ATOM 843 CA SER A 59 2.840 18.531 -3.571 1.00 0.00 C ATOM 844 C SER A 59 1.634 19.205 -4.219 1.00 0.00 C ATOM 845 O SER A 59 1.438 19.119 -5.430 1.00 0.00 O ATOM 846 CB SER A 59 3.944 18.326 -4.610 1.00 0.00 C ATOM 847 OG SER A 59 5.168 17.973 -3.990 1.00 0.00 O ATOM 0 H SER A 59 2.847 16.438 -3.448 1.00 0.00 H new ATOM 0 HA SER A 59 3.214 19.179 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.649 17.544 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.076 19.240 -5.190 1.00 0.00 H new ATOM 0 HG SER A 59 5.857 17.846 -4.675 1.00 0.00 H new ATOM 853 N GLY A 60 0.829 19.877 -3.401 1.00 0.00 N ATOM 854 CA GLY A 60 -0.348 20.556 -3.911 1.00 0.00 C ATOM 855 C GLY A 60 -1.460 20.639 -2.885 1.00 0.00 C ATOM 856 O GLY A 60 -2.639 20.676 -3.238 1.00 0.00 O ATOM 0 H GLY A 60 0.971 19.963 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.074 21.562 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.712 20.032 -4.795 1.00 0.00 H new TER 860 GLY A 60