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 51 MET CE :methyl -164:sc= -0.0363 (180deg=-0.325) USER MOD Set 1.2: A 55 SER OG : rot 120:sc=-0.00985 USER MOD Set 2.1: A 10 SER OG : rot 180:sc= 0.0812 USER MOD Set 2.2: A 41 LYS NZ :NH3+ -116:sc= 0.0802 (180deg=0) 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 12 THR OG1 : rot 180:sc= 0 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 26 CYS SG : rot 158:sc= -3.62! USER MOD Single : A 30 ASN : amide:sc= -0.0825 X(o=-0.083,f=-0.2) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.54) USER MOD Single : A 37 GLN : amide:sc= 0.898 K(o=0.9,f=-6.4!) USER MOD Single : A 38 MET CE :methyl -165:sc= -4.63! (180deg=-5.05) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 1:sc= -0.503 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -1.41 (180deg=-2.74!) USER MOD Single : A 46 CYS SG : rot 56:sc= -0.69 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -4.14 X(o=-4.1,f=-3.9) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -139:sc= -1.04 (180deg=-2.75!) USER MOD Single : A 53 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 13.553 16.040 -15.523 1.00 0.00 N ATOM 2 CA GLY A 1 13.159 16.837 -14.376 1.00 0.00 C ATOM 3 C GLY A 1 12.988 16.003 -13.121 1.00 0.00 C ATOM 4 O GLY A 1 11.913 15.986 -12.521 1.00 0.00 O ATOM 0 H1 GLY A 1 13.657 16.656 -16.355 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.460 15.571 -15.325 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.825 15.322 -15.713 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.910 17.607 -14.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.223 17.350 -14.598 1.00 0.00 H new ATOM 8 N SER A 2 14.049 15.308 -12.725 1.00 0.00 N ATOM 9 CA SER A 2 14.010 14.463 -11.537 1.00 0.00 C ATOM 10 C SER A 2 15.403 14.307 -10.935 1.00 0.00 C ATOM 11 O SER A 2 16.409 14.577 -11.592 1.00 0.00 O ATOM 12 CB SER A 2 13.433 13.089 -11.881 1.00 0.00 C ATOM 13 OG SER A 2 14.108 12.515 -12.987 1.00 0.00 O ATOM 0 H SER A 2 14.947 15.313 -13.209 1.00 0.00 H new ATOM 0 HA SER A 2 13.367 14.944 -10.800 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.517 12.429 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.371 13.183 -12.108 1.00 0.00 H new ATOM 0 HG SER A 2 13.722 11.637 -13.186 1.00 0.00 H new ATOM 19 N SER A 3 15.453 13.868 -9.682 1.00 0.00 N ATOM 20 CA SER A 3 16.722 13.678 -8.988 1.00 0.00 C ATOM 21 C SER A 3 16.985 12.198 -8.732 1.00 0.00 C ATOM 22 O SER A 3 17.442 11.814 -7.656 1.00 0.00 O ATOM 23 CB SER A 3 16.724 14.445 -7.665 1.00 0.00 C ATOM 24 OG SER A 3 15.637 14.051 -6.846 1.00 0.00 O ATOM 0 H SER A 3 14.630 13.637 -9.126 1.00 0.00 H new ATOM 0 HA SER A 3 17.517 14.065 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.662 14.268 -7.140 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.666 15.516 -7.862 1.00 0.00 H new ATOM 0 HG SER A 3 15.661 14.554 -6.005 1.00 0.00 H new ATOM 30 N GLY A 4 16.693 11.369 -9.730 1.00 0.00 N ATOM 31 CA GLY A 4 16.903 9.940 -9.594 1.00 0.00 C ATOM 32 C GLY A 4 15.692 9.227 -9.026 1.00 0.00 C ATOM 33 O GLY A 4 14.632 9.829 -8.857 1.00 0.00 O ATOM 0 H GLY A 4 16.315 11.662 -10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.145 9.517 -10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.762 9.762 -8.947 1.00 0.00 H new ATOM 37 N SER A 5 15.849 7.940 -8.733 1.00 0.00 N ATOM 38 CA SER A 5 14.757 7.142 -8.186 1.00 0.00 C ATOM 39 C SER A 5 14.680 7.295 -6.670 1.00 0.00 C ATOM 40 O SER A 5 15.581 6.874 -5.945 1.00 0.00 O ATOM 41 CB SER A 5 14.941 5.669 -8.553 1.00 0.00 C ATOM 42 OG SER A 5 13.698 4.988 -8.567 1.00 0.00 O ATOM 0 H SER A 5 16.721 7.428 -8.865 1.00 0.00 H new ATOM 0 HA SER A 5 13.823 7.503 -8.618 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.413 5.591 -9.532 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.612 5.194 -7.837 1.00 0.00 H new ATOM 0 HG SER A 5 13.842 4.049 -8.806 1.00 0.00 H new ATOM 48 N SER A 6 13.595 7.901 -6.197 1.00 0.00 N ATOM 49 CA SER A 6 13.400 8.114 -4.768 1.00 0.00 C ATOM 50 C SER A 6 12.234 7.278 -4.249 1.00 0.00 C ATOM 51 O SER A 6 11.444 7.739 -3.426 1.00 0.00 O ATOM 52 CB SER A 6 13.149 9.595 -4.480 1.00 0.00 C ATOM 53 OG SER A 6 14.329 10.357 -4.664 1.00 0.00 O ATOM 0 H SER A 6 12.838 8.253 -6.783 1.00 0.00 H new ATOM 0 HA SER A 6 14.308 7.801 -4.252 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.365 9.969 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.791 9.714 -3.457 1.00 0.00 H new ATOM 0 HG SER A 6 14.142 11.300 -4.475 1.00 0.00 H new ATOM 59 N GLY A 7 12.133 6.046 -4.737 1.00 0.00 N ATOM 60 CA GLY A 7 11.060 5.165 -4.312 1.00 0.00 C ATOM 61 C GLY A 7 11.252 4.660 -2.896 1.00 0.00 C ATOM 62 O GLY A 7 11.308 5.447 -1.951 1.00 0.00 O ATOM 0 H GLY A 7 12.775 5.642 -5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.110 5.695 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.000 4.316 -4.993 1.00 0.00 H new ATOM 66 N ASP A 8 11.351 3.343 -2.747 1.00 0.00 N ATOM 67 CA ASP A 8 11.537 2.733 -1.436 1.00 0.00 C ATOM 68 C ASP A 8 12.419 1.493 -1.533 1.00 0.00 C ATOM 69 O ASP A 8 12.239 0.640 -2.402 1.00 0.00 O ATOM 70 CB ASP A 8 10.184 2.365 -0.825 1.00 0.00 C ATOM 71 CG ASP A 8 9.432 3.577 -0.310 1.00 0.00 C ATOM 72 OD1 ASP A 8 10.078 4.473 0.271 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.197 3.628 -0.489 1.00 0.00 O ATOM 0 H ASP A 8 11.305 2.678 -3.519 1.00 0.00 H new ATOM 0 HA ASP A 8 12.033 3.459 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.577 1.856 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.337 1.662 -0.007 1.00 0.00 H new ATOM 78 N PRO A 9 13.398 1.390 -0.622 1.00 0.00 N ATOM 79 CA PRO A 9 14.329 0.258 -0.584 1.00 0.00 C ATOM 80 C PRO A 9 13.651 -1.036 -0.147 1.00 0.00 C ATOM 81 O PRO A 9 14.046 -2.126 -0.562 1.00 0.00 O ATOM 82 CB PRO A 9 15.372 0.691 0.448 1.00 0.00 C ATOM 83 CG PRO A 9 14.657 1.658 1.327 1.00 0.00 C ATOM 84 CD PRO A 9 13.671 2.370 0.443 1.00 0.00 C ATOM 0 HA PRO A 9 14.747 0.041 -1.567 1.00 0.00 H new ATOM 0 HB2 PRO A 9 15.743 -0.161 1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 9 16.234 1.154 -0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 9 14.149 1.143 2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.354 2.362 1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.764 2.637 0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.086 3.295 0.042 1.00 0.00 H new ATOM 92 N SER A 10 12.628 -0.908 0.693 1.00 0.00 N ATOM 93 CA SER A 10 11.897 -2.068 1.189 1.00 0.00 C ATOM 94 C SER A 10 10.809 -2.486 0.205 1.00 0.00 C ATOM 95 O SER A 10 10.821 -3.603 -0.313 1.00 0.00 O ATOM 96 CB SER A 10 11.277 -1.761 2.553 1.00 0.00 C ATOM 97 OG SER A 10 10.763 -2.936 3.156 1.00 0.00 O ATOM 0 H SER A 10 12.287 -0.013 1.044 1.00 0.00 H new ATOM 0 HA SER A 10 12.602 -2.893 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.027 -1.313 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.478 -1.029 2.436 1.00 0.00 H new ATOM 0 HG SER A 10 10.374 -2.713 4.027 1.00 0.00 H new ATOM 103 N TRP A 11 9.869 -1.582 -0.046 1.00 0.00 N ATOM 104 CA TRP A 11 8.772 -1.856 -0.968 1.00 0.00 C ATOM 105 C TRP A 11 9.246 -1.785 -2.415 1.00 0.00 C ATOM 106 O TRP A 11 10.306 -1.229 -2.705 1.00 0.00 O ATOM 107 CB TRP A 11 7.630 -0.863 -0.743 1.00 0.00 C ATOM 108 CG TRP A 11 6.788 -1.188 0.453 1.00 0.00 C ATOM 109 CD1 TRP A 11 7.219 -1.360 1.737 1.00 0.00 C ATOM 110 CD2 TRP A 11 5.369 -1.382 0.475 1.00 0.00 C ATOM 111 NE1 TRP A 11 6.154 -1.649 2.557 1.00 0.00 N ATOM 112 CE2 TRP A 11 5.008 -1.668 1.807 1.00 0.00 C ATOM 113 CE3 TRP A 11 4.369 -1.340 -0.500 1.00 0.00 C ATOM 114 CZ2 TRP A 11 3.690 -1.910 2.184 1.00 0.00 C ATOM 115 CZ3 TRP A 11 3.061 -1.581 -0.123 1.00 0.00 C ATOM 116 CH2 TRP A 11 2.731 -1.863 1.210 1.00 0.00 C ATOM 0 H TRP A 11 9.844 -0.653 0.375 1.00 0.00 H new ATOM 0 HA TRP A 11 8.410 -2.866 -0.773 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.046 0.138 -0.625 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.996 -0.842 -1.630 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.246 -1.281 2.061 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.208 -1.821 3.561 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.613 -1.123 -1.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.434 -2.127 3.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.280 -1.552 -0.868 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.700 -2.047 1.473 1.00 0.00 H new ATOM 127 N THR A 12 8.455 -2.351 -3.321 1.00 0.00 N ATOM 128 CA THR A 12 8.795 -2.353 -4.738 1.00 0.00 C ATOM 129 C THR A 12 7.640 -1.825 -5.581 1.00 0.00 C ATOM 130 O THR A 12 6.501 -1.763 -5.121 1.00 0.00 O ATOM 131 CB THR A 12 9.168 -3.766 -5.225 1.00 0.00 C ATOM 132 OG1 THR A 12 7.991 -4.575 -5.326 1.00 0.00 O ATOM 133 CG2 THR A 12 10.161 -4.421 -4.277 1.00 0.00 C ATOM 0 H THR A 12 7.574 -2.814 -3.098 1.00 0.00 H new ATOM 0 HA THR A 12 9.657 -1.697 -4.857 1.00 0.00 H new ATOM 0 HB THR A 12 9.633 -3.677 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.236 -5.471 -5.638 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.409 -5.418 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.067 -3.817 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.719 -4.498 -3.284 1.00 0.00 H new ATOM 141 N ALA A 13 7.942 -1.446 -6.819 1.00 0.00 N ATOM 142 CA ALA A 13 6.927 -0.927 -7.727 1.00 0.00 C ATOM 143 C ALA A 13 5.703 -1.835 -7.760 1.00 0.00 C ATOM 144 O ALA A 13 4.568 -1.360 -7.801 1.00 0.00 O ATOM 145 CB ALA A 13 7.504 -0.764 -9.126 1.00 0.00 C ATOM 0 H ALA A 13 8.881 -1.489 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 13 6.612 0.050 -7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.735 -0.376 -9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.343 -0.068 -9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.848 -1.731 -9.493 1.00 0.00 H new ATOM 151 N GLN A 14 5.941 -3.142 -7.744 1.00 0.00 N ATOM 152 CA GLN A 14 4.856 -4.116 -7.773 1.00 0.00 C ATOM 153 C GLN A 14 3.959 -3.969 -6.549 1.00 0.00 C ATOM 154 O GLN A 14 2.737 -3.888 -6.671 1.00 0.00 O ATOM 155 CB GLN A 14 5.420 -5.537 -7.839 1.00 0.00 C ATOM 156 CG GLN A 14 6.280 -5.794 -9.066 1.00 0.00 C ATOM 157 CD GLN A 14 6.774 -7.225 -9.143 1.00 0.00 C ATOM 158 OE1 GLN A 14 6.415 -7.969 -10.057 1.00 0.00 O ATOM 159 NE2 GLN A 14 7.601 -7.619 -8.183 1.00 0.00 N ATOM 0 H GLN A 14 6.875 -3.551 -7.711 1.00 0.00 H new ATOM 0 HA GLN A 14 4.257 -3.928 -8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.013 -5.726 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.594 -6.248 -7.829 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.705 -5.563 -9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.135 -5.119 -9.053 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.872 -6.969 -7.445 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.966 -8.572 -8.183 1.00 0.00 H new ATOM 168 N GLU A 15 4.574 -3.935 -5.371 1.00 0.00 N ATOM 169 CA GLU A 15 3.829 -3.799 -4.125 1.00 0.00 C ATOM 170 C GLU A 15 2.980 -2.531 -4.135 1.00 0.00 C ATOM 171 O GLU A 15 1.819 -2.546 -3.727 1.00 0.00 O ATOM 172 CB GLU A 15 4.787 -3.775 -2.932 1.00 0.00 C ATOM 173 CG GLU A 15 5.089 -5.153 -2.367 1.00 0.00 C ATOM 174 CD GLU A 15 6.227 -5.844 -3.093 1.00 0.00 C ATOM 175 OE1 GLU A 15 7.393 -5.656 -2.686 1.00 0.00 O ATOM 176 OE2 GLU A 15 5.951 -6.574 -4.068 1.00 0.00 O ATOM 0 H GLU A 15 5.585 -4.000 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 15 3.166 -4.659 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.721 -3.303 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.358 -3.155 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.340 -5.061 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.194 -5.772 -2.430 1.00 0.00 H new ATOM 183 N GLU A 16 3.569 -1.434 -4.602 1.00 0.00 N ATOM 184 CA GLU A 16 2.867 -0.158 -4.663 1.00 0.00 C ATOM 185 C GLU A 16 1.591 -0.278 -5.491 1.00 0.00 C ATOM 186 O GLU A 16 0.499 0.034 -5.015 1.00 0.00 O ATOM 187 CB GLU A 16 3.775 0.920 -5.260 1.00 0.00 C ATOM 188 CG GLU A 16 5.001 1.221 -4.413 1.00 0.00 C ATOM 189 CD GLU A 16 5.475 2.653 -4.561 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.715 3.571 -4.189 1.00 0.00 O ATOM 191 OE2 GLU A 16 6.606 2.856 -5.050 1.00 0.00 O ATOM 0 H GLU A 16 4.530 -1.404 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 16 2.595 0.127 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.098 0.603 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.200 1.837 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.771 1.025 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.808 0.544 -4.695 1.00 0.00 H new ATOM 198 N MET A 17 1.737 -0.732 -6.731 1.00 0.00 N ATOM 199 CA MET A 17 0.596 -0.893 -7.625 1.00 0.00 C ATOM 200 C MET A 17 -0.424 -1.862 -7.034 1.00 0.00 C ATOM 201 O MET A 17 -1.621 -1.577 -7.009 1.00 0.00 O ATOM 202 CB MET A 17 1.060 -1.396 -8.993 1.00 0.00 C ATOM 203 CG MET A 17 2.024 -0.451 -9.692 1.00 0.00 C ATOM 204 SD MET A 17 1.198 0.988 -10.398 1.00 0.00 S ATOM 205 CE MET A 17 2.593 1.874 -11.089 1.00 0.00 C ATOM 0 H MET A 17 2.634 -0.995 -7.140 1.00 0.00 H new ATOM 0 HA MET A 17 0.120 0.080 -7.746 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.540 -2.367 -8.870 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.189 -1.549 -9.629 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.780 -0.118 -8.981 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.545 -0.990 -10.483 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.243 2.791 -11.563 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.297 2.122 -10.294 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.090 1.249 -11.831 1.00 0.00 H new ATOM 215 N ALA A 18 0.058 -3.006 -6.560 1.00 0.00 N ATOM 216 CA ALA A 18 -0.812 -4.015 -5.968 1.00 0.00 C ATOM 217 C ALA A 18 -1.680 -3.414 -4.868 1.00 0.00 C ATOM 218 O ALA A 18 -2.869 -3.719 -4.765 1.00 0.00 O ATOM 219 CB ALA A 18 0.015 -5.168 -5.419 1.00 0.00 C ATOM 0 H ALA A 18 1.046 -3.257 -6.574 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.471 -4.394 -6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.647 -5.914 -4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.588 -5.622 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.698 -4.795 -4.656 1.00 0.00 H new ATOM 225 N LEU A 19 -1.080 -2.558 -4.048 1.00 0.00 N ATOM 226 CA LEU A 19 -1.799 -1.914 -2.954 1.00 0.00 C ATOM 227 C LEU A 19 -2.991 -1.120 -3.479 1.00 0.00 C ATOM 228 O LEU A 19 -4.124 -1.314 -3.036 1.00 0.00 O ATOM 229 CB LEU A 19 -0.861 -0.991 -2.175 1.00 0.00 C ATOM 230 CG LEU A 19 -1.400 -0.450 -0.850 1.00 0.00 C ATOM 231 CD1 LEU A 19 -1.814 -1.592 0.064 1.00 0.00 C ATOM 232 CD2 LEU A 19 -0.360 0.429 -0.171 1.00 0.00 C ATOM 0 H LEU A 19 -0.097 -2.294 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.169 -2.693 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.064 -1.531 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.604 -0.145 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.280 0.158 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.195 -1.188 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.593 -2.181 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.952 -2.227 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.760 0.805 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.539 -0.156 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.112 1.268 -0.821 1.00 0.00 H new ATOM 244 N LEU A 20 -2.730 -0.227 -4.427 1.00 0.00 N ATOM 245 CA LEU A 20 -3.782 0.595 -5.015 1.00 0.00 C ATOM 246 C LEU A 20 -4.873 -0.275 -5.630 1.00 0.00 C ATOM 247 O LEU A 20 -6.040 -0.182 -5.251 1.00 0.00 O ATOM 248 CB LEU A 20 -3.195 1.524 -6.079 1.00 0.00 C ATOM 249 CG LEU A 20 -2.250 2.614 -5.572 1.00 0.00 C ATOM 250 CD1 LEU A 20 -1.549 3.297 -6.735 1.00 0.00 C ATOM 251 CD2 LEU A 20 -3.010 3.631 -4.733 1.00 0.00 C ATOM 0 H LEU A 20 -1.799 -0.054 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.226 1.196 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.658 0.916 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.019 2.003 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.493 2.147 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.881 4.069 -6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.971 2.561 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.291 3.751 -7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.322 4.399 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.790 4.093 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.464 3.131 -3.878 1.00 0.00 H new ATOM 263 N GLU A 21 -4.485 -1.122 -6.578 1.00 0.00 N ATOM 264 CA GLU A 21 -5.431 -2.009 -7.243 1.00 0.00 C ATOM 265 C GLU A 21 -6.259 -2.785 -6.223 1.00 0.00 C ATOM 266 O GLU A 21 -7.434 -3.071 -6.450 1.00 0.00 O ATOM 267 CB GLU A 21 -4.692 -2.983 -8.162 1.00 0.00 C ATOM 268 CG GLU A 21 -3.778 -2.299 -9.166 1.00 0.00 C ATOM 269 CD GLU A 21 -4.492 -1.940 -10.454 1.00 0.00 C ATOM 270 OE1 GLU A 21 -5.201 -0.912 -10.473 1.00 0.00 O ATOM 271 OE2 GLU A 21 -4.342 -2.687 -11.444 1.00 0.00 O ATOM 0 H GLU A 21 -3.522 -1.212 -6.902 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.105 -1.396 -7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.101 -3.667 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.423 -3.586 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.366 -1.394 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.937 -2.955 -9.392 1.00 0.00 H new ATOM 278 N ALA A 22 -5.637 -3.122 -5.098 1.00 0.00 N ATOM 279 CA ALA A 22 -6.315 -3.863 -4.042 1.00 0.00 C ATOM 280 C ALA A 22 -7.272 -2.964 -3.268 1.00 0.00 C ATOM 281 O ALA A 22 -8.399 -3.355 -2.962 1.00 0.00 O ATOM 282 CB ALA A 22 -5.298 -4.490 -3.100 1.00 0.00 C ATOM 0 H ALA A 22 -4.664 -2.893 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.900 -4.656 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.819 -5.040 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.657 -5.173 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.688 -3.707 -2.649 1.00 0.00 H new ATOM 288 N VAL A 23 -6.816 -1.755 -2.952 1.00 0.00 N ATOM 289 CA VAL A 23 -7.632 -0.799 -2.213 1.00 0.00 C ATOM 290 C VAL A 23 -8.789 -0.290 -3.066 1.00 0.00 C ATOM 291 O VAL A 23 -9.793 0.194 -2.543 1.00 0.00 O ATOM 292 CB VAL A 23 -6.795 0.401 -1.734 1.00 0.00 C ATOM 293 CG1 VAL A 23 -7.698 1.505 -1.204 1.00 0.00 C ATOM 294 CG2 VAL A 23 -5.796 -0.036 -0.674 1.00 0.00 C ATOM 0 H VAL A 23 -5.886 -1.415 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.028 -1.325 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.239 0.796 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.088 2.345 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.370 1.837 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.283 1.126 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.213 0.825 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.330 -0.457 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.128 -0.789 -1.092 1.00 0.00 H new ATOM 304 N MET A 24 -8.642 -0.404 -4.382 1.00 0.00 N ATOM 305 CA MET A 24 -9.676 0.044 -5.307 1.00 0.00 C ATOM 306 C MET A 24 -10.575 -1.117 -5.722 1.00 0.00 C ATOM 307 O MET A 24 -11.688 -0.911 -6.204 1.00 0.00 O ATOM 308 CB MET A 24 -9.042 0.680 -6.545 1.00 0.00 C ATOM 309 CG MET A 24 -8.146 -0.269 -7.325 1.00 0.00 C ATOM 310 SD MET A 24 -9.073 -1.337 -8.444 1.00 0.00 S ATOM 311 CE MET A 24 -9.245 -0.266 -9.869 1.00 0.00 C ATOM 0 H MET A 24 -7.818 -0.802 -4.831 1.00 0.00 H new ATOM 0 HA MET A 24 -10.286 0.789 -4.797 1.00 0.00 H new ATOM 0 HB2 MET A 24 -9.832 1.043 -7.202 1.00 0.00 H new ATOM 0 HB3 MET A 24 -8.458 1.548 -6.239 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.422 0.310 -7.898 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.580 -0.885 -6.626 1.00 0.00 H new ATOM 0 HE1 MET A 24 -9.799 -0.786 -10.650 1.00 0.00 H new ATOM 0 HE2 MET A 24 -9.784 0.637 -9.582 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.257 0.004 -10.243 1.00 0.00 H new ATOM 321 N ASP A 25 -10.083 -2.337 -5.530 1.00 0.00 N ATOM 322 CA ASP A 25 -10.842 -3.531 -5.884 1.00 0.00 C ATOM 323 C ASP A 25 -11.710 -3.989 -4.715 1.00 0.00 C ATOM 324 O ASP A 25 -12.851 -4.412 -4.905 1.00 0.00 O ATOM 325 CB ASP A 25 -9.896 -4.656 -6.305 1.00 0.00 C ATOM 326 CG ASP A 25 -9.645 -4.673 -7.800 1.00 0.00 C ATOM 327 OD1 ASP A 25 -10.566 -4.307 -8.559 1.00 0.00 O ATOM 328 OD2 ASP A 25 -8.528 -5.053 -8.210 1.00 0.00 O ATOM 0 H ASP A 25 -9.163 -2.524 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.494 -3.283 -6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.947 -4.543 -5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.317 -5.614 -5.999 1.00 0.00 H new ATOM 333 N CYS A 26 -11.161 -3.903 -3.509 1.00 0.00 N ATOM 334 CA CYS A 26 -11.884 -4.311 -2.309 1.00 0.00 C ATOM 335 C CYS A 26 -12.442 -3.097 -1.572 1.00 0.00 C ATOM 336 O CYS A 26 -13.643 -3.011 -1.318 1.00 0.00 O ATOM 337 CB CYS A 26 -10.967 -5.108 -1.382 1.00 0.00 C ATOM 338 SG CYS A 26 -10.385 -6.670 -2.083 1.00 0.00 S ATOM 0 H CYS A 26 -10.218 -3.555 -3.335 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.718 -4.943 -2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.104 -4.493 -1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.498 -5.315 -0.453 1.00 0.00 H new ATOM 0 HG CYS A 26 -9.296 -7.039 -1.477 1.00 0.00 H new ATOM 344 N GLY A 27 -11.561 -2.162 -1.230 1.00 0.00 N ATOM 345 CA GLY A 27 -11.985 -0.967 -0.524 1.00 0.00 C ATOM 346 C GLY A 27 -11.083 -0.637 0.649 1.00 0.00 C ATOM 347 O GLY A 27 -10.398 -1.511 1.180 1.00 0.00 O ATOM 0 H GLY A 27 -10.562 -2.211 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.999 -0.125 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.006 -1.102 -0.167 1.00 0.00 H new ATOM 351 N PHE A 28 -11.081 0.629 1.054 1.00 0.00 N ATOM 352 CA PHE A 28 -10.255 1.073 2.170 1.00 0.00 C ATOM 353 C PHE A 28 -10.720 0.439 3.477 1.00 0.00 C ATOM 354 O PHE A 28 -11.906 0.172 3.664 1.00 0.00 O ATOM 355 CB PHE A 28 -10.296 2.598 2.287 1.00 0.00 C ATOM 356 CG PHE A 28 -9.632 3.122 3.528 1.00 0.00 C ATOM 357 CD1 PHE A 28 -10.274 3.058 4.754 1.00 0.00 C ATOM 358 CD2 PHE A 28 -8.364 3.679 3.468 1.00 0.00 C ATOM 359 CE1 PHE A 28 -9.665 3.540 5.897 1.00 0.00 C ATOM 360 CE2 PHE A 28 -7.750 4.163 4.608 1.00 0.00 C ATOM 361 CZ PHE A 28 -8.401 4.092 5.824 1.00 0.00 C ATOM 0 H PHE A 28 -11.642 1.365 0.626 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.229 0.757 1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.812 3.035 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.335 2.928 2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.262 2.626 4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.850 3.735 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.177 3.485 6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.762 4.596 4.548 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.922 4.468 6.716 1.00 0.00 H new ATOM 371 N GLY A 29 -9.774 0.198 4.381 1.00 0.00 N ATOM 372 CA GLY A 29 -10.105 -0.404 5.659 1.00 0.00 C ATOM 373 C GLY A 29 -10.029 -1.918 5.624 1.00 0.00 C ATOM 374 O GLY A 29 -9.796 -2.558 6.648 1.00 0.00 O ATOM 0 H GLY A 29 -8.785 0.409 4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.424 -0.027 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.110 -0.100 5.951 1.00 0.00 H new ATOM 378 N ASN A 30 -10.227 -2.491 4.442 1.00 0.00 N ATOM 379 CA ASN A 30 -10.182 -3.940 4.278 1.00 0.00 C ATOM 380 C ASN A 30 -8.740 -4.433 4.196 1.00 0.00 C ATOM 381 O ASN A 30 -8.408 -5.272 3.359 1.00 0.00 O ATOM 382 CB ASN A 30 -10.948 -4.356 3.020 1.00 0.00 C ATOM 383 CG ASN A 30 -12.368 -3.825 3.006 1.00 0.00 C ATOM 384 OD1 ASN A 30 -13.038 -3.785 4.038 1.00 0.00 O ATOM 385 ND2 ASN A 30 -12.834 -3.414 1.832 1.00 0.00 N ATOM 0 H ASN A 30 -10.420 -1.975 3.584 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.654 -4.395 5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.419 -3.993 2.139 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.969 -5.444 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.783 -3.047 1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.243 -3.466 1.002 1.00 0.00 H new ATOM 392 N TRP A 31 -7.890 -3.907 5.069 1.00 0.00 N ATOM 393 CA TRP A 31 -6.484 -4.294 5.096 1.00 0.00 C ATOM 394 C TRP A 31 -6.329 -5.796 4.883 1.00 0.00 C ATOM 395 O TRP A 31 -5.408 -6.242 4.201 1.00 0.00 O ATOM 396 CB TRP A 31 -5.847 -3.886 6.425 1.00 0.00 C ATOM 397 CG TRP A 31 -6.031 -2.435 6.752 1.00 0.00 C ATOM 398 CD1 TRP A 31 -6.532 -1.912 7.909 1.00 0.00 C ATOM 399 CD2 TRP A 31 -5.716 -1.320 5.909 1.00 0.00 C ATOM 400 NE1 TRP A 31 -6.549 -0.540 7.837 1.00 0.00 N ATOM 401 CE2 TRP A 31 -6.053 -0.152 6.621 1.00 0.00 C ATOM 402 CE3 TRP A 31 -5.182 -1.196 4.624 1.00 0.00 C ATOM 403 CZ2 TRP A 31 -5.872 1.121 6.088 1.00 0.00 C ATOM 404 CZ3 TRP A 31 -5.003 0.069 4.097 1.00 0.00 C ATOM 405 CH2 TRP A 31 -5.347 1.214 4.828 1.00 0.00 C ATOM 0 H TRP A 31 -8.149 -3.211 5.768 1.00 0.00 H new ATOM 0 HA TRP A 31 -5.974 -3.776 4.283 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.276 -4.489 7.225 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.781 -4.111 6.393 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.866 -2.492 8.757 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.878 0.088 8.571 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.914 -2.073 4.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.137 2.005 6.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.591 0.177 3.105 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.195 2.189 4.388 1.00 0.00 H new ATOM 416 N GLN A 32 -7.236 -6.569 5.472 1.00 0.00 N ATOM 417 CA GLN A 32 -7.198 -8.021 5.346 1.00 0.00 C ATOM 418 C GLN A 32 -7.281 -8.443 3.882 1.00 0.00 C ATOM 419 O GLN A 32 -6.358 -9.061 3.351 1.00 0.00 O ATOM 420 CB GLN A 32 -8.344 -8.653 6.137 1.00 0.00 C ATOM 421 CG GLN A 32 -8.465 -10.155 5.938 1.00 0.00 C ATOM 422 CD GLN A 32 -7.644 -10.944 6.939 1.00 0.00 C ATOM 423 OE1 GLN A 32 -8.104 -11.239 8.043 1.00 0.00 O ATOM 424 NE2 GLN A 32 -6.420 -11.291 6.559 1.00 0.00 N ATOM 0 H GLN A 32 -8.005 -6.214 6.040 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.249 -8.371 5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.200 -8.446 7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.281 -8.179 5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.512 -10.446 6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.144 -10.411 4.928 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.078 -11.026 5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.821 -11.823 7.191 1.00 0.00 H new ATOM 433 N ASP A 33 -8.392 -8.106 3.237 1.00 0.00 N ATOM 434 CA ASP A 33 -8.596 -8.449 1.834 1.00 0.00 C ATOM 435 C ASP A 33 -7.413 -7.993 0.986 1.00 0.00 C ATOM 436 O ASP A 33 -6.904 -8.745 0.156 1.00 0.00 O ATOM 437 CB ASP A 33 -9.887 -7.816 1.315 1.00 0.00 C ATOM 438 CG ASP A 33 -10.492 -8.596 0.164 1.00 0.00 C ATOM 439 OD1 ASP A 33 -9.725 -9.225 -0.595 1.00 0.00 O ATOM 440 OD2 ASP A 33 -11.733 -8.578 0.022 1.00 0.00 O ATOM 0 H ASP A 33 -9.166 -7.596 3.663 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.677 -9.533 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.610 -7.754 2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.683 -6.795 0.991 1.00 0.00 H new ATOM 445 N VAL A 34 -6.982 -6.753 1.199 1.00 0.00 N ATOM 446 CA VAL A 34 -5.859 -6.196 0.455 1.00 0.00 C ATOM 447 C VAL A 34 -4.601 -7.035 0.647 1.00 0.00 C ATOM 448 O VAL A 34 -3.821 -7.225 -0.285 1.00 0.00 O ATOM 449 CB VAL A 34 -5.567 -4.745 0.883 1.00 0.00 C ATOM 450 CG1 VAL A 34 -4.392 -4.183 0.097 1.00 0.00 C ATOM 451 CG2 VAL A 34 -6.803 -3.878 0.703 1.00 0.00 C ATOM 0 H VAL A 34 -7.394 -6.116 1.881 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.141 -6.207 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.301 -4.743 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.200 -3.157 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.506 -4.791 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.626 -4.197 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.579 -2.856 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.102 -3.884 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.615 -4.271 1.315 1.00 0.00 H new ATOM 461 N ALA A 35 -4.411 -7.535 1.864 1.00 0.00 N ATOM 462 CA ALA A 35 -3.248 -8.356 2.178 1.00 0.00 C ATOM 463 C ALA A 35 -3.070 -9.471 1.154 1.00 0.00 C ATOM 464 O ALA A 35 -1.989 -10.045 1.029 1.00 0.00 O ATOM 465 CB ALA A 35 -3.377 -8.939 3.578 1.00 0.00 C ATOM 0 H ALA A 35 -5.047 -7.386 2.648 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.364 -7.719 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.502 -9.550 3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.448 -8.129 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.274 -9.556 3.634 1.00 0.00 H new ATOM 471 N ASN A 36 -4.138 -9.773 0.423 1.00 0.00 N ATOM 472 CA ASN A 36 -4.100 -10.821 -0.591 1.00 0.00 C ATOM 473 C ASN A 36 -2.949 -10.593 -1.566 1.00 0.00 C ATOM 474 O ASN A 36 -2.037 -11.414 -1.668 1.00 0.00 O ATOM 475 CB ASN A 36 -5.426 -10.872 -1.353 1.00 0.00 C ATOM 476 CG ASN A 36 -6.482 -11.678 -0.621 1.00 0.00 C ATOM 477 OD1 ASN A 36 -7.016 -12.651 -1.155 1.00 0.00 O ATOM 478 ND2 ASN A 36 -6.788 -11.276 0.607 1.00 0.00 N ATOM 0 H ASN A 36 -5.041 -9.307 0.514 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.942 -11.774 -0.086 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.791 -9.857 -1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.259 -11.307 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.491 -11.779 1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.320 -10.464 1.009 1.00 0.00 H new ATOM 485 N GLN A 37 -2.998 -9.472 -2.279 1.00 0.00 N ATOM 486 CA GLN A 37 -1.959 -9.136 -3.246 1.00 0.00 C ATOM 487 C GLN A 37 -0.774 -8.466 -2.560 1.00 0.00 C ATOM 488 O GLN A 37 0.323 -8.402 -3.116 1.00 0.00 O ATOM 489 CB GLN A 37 -2.522 -8.218 -4.332 1.00 0.00 C ATOM 490 CG GLN A 37 -3.827 -8.714 -4.932 1.00 0.00 C ATOM 491 CD GLN A 37 -5.045 -8.175 -4.209 1.00 0.00 C ATOM 492 OE1 GLN A 37 -4.994 -7.887 -3.012 1.00 0.00 O ATOM 493 NE2 GLN A 37 -6.150 -8.035 -4.931 1.00 0.00 N ATOM 0 H GLN A 37 -3.745 -8.782 -2.205 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.613 -10.061 -3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.680 -7.225 -3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.783 -8.113 -5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.874 -8.422 -5.981 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.845 -9.803 -4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.148 -8.286 -5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.001 -7.677 -4.497 1.00 0.00 H new ATOM 502 N MET A 38 -1.002 -7.966 -1.350 1.00 0.00 N ATOM 503 CA MET A 38 0.049 -7.301 -0.588 1.00 0.00 C ATOM 504 C MET A 38 0.748 -8.283 0.347 1.00 0.00 C ATOM 505 O MET A 38 1.690 -7.919 1.052 1.00 0.00 O ATOM 506 CB MET A 38 -0.534 -6.138 0.218 1.00 0.00 C ATOM 507 CG MET A 38 -1.272 -5.118 -0.634 1.00 0.00 C ATOM 508 SD MET A 38 -0.215 -4.362 -1.884 1.00 0.00 S ATOM 509 CE MET A 38 1.203 -3.899 -0.893 1.00 0.00 C ATOM 0 H MET A 38 -1.904 -8.009 -0.876 1.00 0.00 H new ATOM 0 HA MET A 38 0.784 -6.913 -1.293 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.217 -6.534 0.970 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.273 -5.637 0.753 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.117 -5.602 -1.123 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.680 -4.339 0.010 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.821 -3.194 -1.449 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.864 -3.433 0.032 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.789 -4.788 -0.658 1.00 0.00 H new ATOM 519 N CYS A 39 0.280 -9.526 0.348 1.00 0.00 N ATOM 520 CA CYS A 39 0.860 -10.560 1.198 1.00 0.00 C ATOM 521 C CYS A 39 2.355 -10.329 1.392 1.00 0.00 C ATOM 522 O CYS A 39 2.921 -10.683 2.427 1.00 0.00 O ATOM 523 CB CYS A 39 0.620 -11.943 0.590 1.00 0.00 C ATOM 524 SG CYS A 39 0.804 -13.307 1.762 1.00 0.00 S ATOM 0 H CYS A 39 -0.499 -9.842 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 39 0.374 -10.510 2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.385 -11.973 0.169 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.316 -12.091 -0.235 1.00 0.00 H new ATOM 0 HG CYS A 39 0.580 -14.434 1.155 1.00 0.00 H new ATOM 530 N THR A 40 2.992 -9.734 0.388 1.00 0.00 N ATOM 531 CA THR A 40 4.422 -9.458 0.447 1.00 0.00 C ATOM 532 C THR A 40 4.801 -8.799 1.768 1.00 0.00 C ATOM 533 O THR A 40 5.976 -8.749 2.134 1.00 0.00 O ATOM 534 CB THR A 40 4.867 -8.547 -0.714 1.00 0.00 C ATOM 535 OG1 THR A 40 3.993 -7.417 -0.812 1.00 0.00 O ATOM 536 CG2 THR A 40 4.868 -9.310 -2.030 1.00 0.00 C ATOM 0 H THR A 40 2.540 -9.434 -0.476 1.00 0.00 H new ATOM 0 HA THR A 40 4.932 -10.417 0.363 1.00 0.00 H new ATOM 0 HB THR A 40 5.882 -8.204 -0.510 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.314 -7.467 -0.107 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.185 -8.647 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.556 -10.153 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.863 -9.678 -2.238 1.00 0.00 H new ATOM 544 N LYS A 41 3.800 -8.296 2.482 1.00 0.00 N ATOM 545 CA LYS A 41 4.027 -7.642 3.765 1.00 0.00 C ATOM 546 C LYS A 41 2.871 -7.909 4.724 1.00 0.00 C ATOM 547 O LYS A 41 1.955 -8.669 4.412 1.00 0.00 O ATOM 548 CB LYS A 41 4.204 -6.135 3.568 1.00 0.00 C ATOM 549 CG LYS A 41 5.286 -5.775 2.565 1.00 0.00 C ATOM 550 CD LYS A 41 6.656 -5.718 3.219 1.00 0.00 C ATOM 551 CE LYS A 41 7.731 -5.306 2.224 1.00 0.00 C ATOM 552 NZ LYS A 41 9.090 -5.719 2.673 1.00 0.00 N ATOM 0 H LYS A 41 2.822 -8.329 2.193 1.00 0.00 H new ATOM 0 HA LYS A 41 4.938 -8.054 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.258 -5.707 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.443 -5.677 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.296 -6.510 1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.057 -4.810 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.636 -5.011 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.901 -6.694 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.518 -5.753 1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.706 -4.225 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.671 -4.874 2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.013 -6.269 3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.536 -6.303 1.937 1.00 0.00 H new ATOM 566 N THR A 42 2.920 -7.276 5.893 1.00 0.00 N ATOM 567 CA THR A 42 1.877 -7.445 6.897 1.00 0.00 C ATOM 568 C THR A 42 0.756 -6.430 6.701 1.00 0.00 C ATOM 569 O THR A 42 1.008 -5.242 6.501 1.00 0.00 O ATOM 570 CB THR A 42 2.442 -7.301 8.323 1.00 0.00 C ATOM 571 OG1 THR A 42 3.082 -6.028 8.470 1.00 0.00 O ATOM 572 CG2 THR A 42 3.435 -8.412 8.626 1.00 0.00 C ATOM 0 H THR A 42 3.671 -6.642 6.167 1.00 0.00 H new ATOM 0 HA THR A 42 1.478 -8.452 6.772 1.00 0.00 H new ATOM 0 HB THR A 42 1.614 -7.374 9.028 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.437 -5.943 9.380 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.820 -8.289 9.638 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.937 -9.378 8.542 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.260 -8.366 7.915 1.00 0.00 H new ATOM 580 N LYS A 43 -0.483 -6.906 6.760 1.00 0.00 N ATOM 581 CA LYS A 43 -1.644 -6.040 6.591 1.00 0.00 C ATOM 582 C LYS A 43 -1.438 -4.708 7.305 1.00 0.00 C ATOM 583 O LYS A 43 -1.932 -3.673 6.861 1.00 0.00 O ATOM 584 CB LYS A 43 -2.901 -6.729 7.127 1.00 0.00 C ATOM 585 CG LYS A 43 -3.140 -6.493 8.608 1.00 0.00 C ATOM 586 CD LYS A 43 -4.416 -7.169 9.082 1.00 0.00 C ATOM 587 CE LYS A 43 -4.167 -8.618 9.473 1.00 0.00 C ATOM 588 NZ LYS A 43 -3.772 -9.448 8.302 1.00 0.00 N ATOM 0 H LYS A 43 -0.709 -7.887 6.924 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.769 -5.845 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.766 -6.374 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.822 -7.801 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.293 -6.872 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.201 -5.422 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.822 -6.625 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.166 -7.128 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.383 -8.661 10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.068 -9.032 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.077 -10.431 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.224 -9.074 7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.738 -9.420 8.189 1.00 0.00 H new ATOM 602 N GLU A 44 -0.704 -4.743 8.413 1.00 0.00 N ATOM 603 CA GLU A 44 -0.432 -3.537 9.187 1.00 0.00 C ATOM 604 C GLU A 44 0.433 -2.564 8.392 1.00 0.00 C ATOM 605 O GLU A 44 0.196 -1.357 8.401 1.00 0.00 O ATOM 606 CB GLU A 44 0.260 -3.895 10.504 1.00 0.00 C ATOM 607 CG GLU A 44 -0.632 -4.649 11.475 1.00 0.00 C ATOM 608 CD GLU A 44 -0.570 -6.151 11.278 1.00 0.00 C ATOM 609 OE1 GLU A 44 0.543 -6.675 11.061 1.00 0.00 O ATOM 610 OE2 GLU A 44 -1.634 -6.803 11.341 1.00 0.00 O ATOM 0 H GLU A 44 -0.287 -5.592 8.794 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.384 -3.053 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.141 -4.499 10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.610 -2.980 10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.337 -4.408 12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.662 -4.313 11.353 1.00 0.00 H new ATOM 617 N GLU A 45 1.439 -3.099 7.707 1.00 0.00 N ATOM 618 CA GLU A 45 2.341 -2.278 6.908 1.00 0.00 C ATOM 619 C GLU A 45 1.630 -1.732 5.673 1.00 0.00 C ATOM 620 O GLU A 45 1.911 -0.621 5.222 1.00 0.00 O ATOM 621 CB GLU A 45 3.568 -3.089 6.488 1.00 0.00 C ATOM 622 CG GLU A 45 4.710 -3.028 7.488 1.00 0.00 C ATOM 623 CD GLU A 45 5.633 -1.849 7.247 1.00 0.00 C ATOM 624 OE1 GLU A 45 5.182 -0.698 7.418 1.00 0.00 O ATOM 625 OE2 GLU A 45 6.807 -2.079 6.889 1.00 0.00 O ATOM 0 H GLU A 45 1.650 -4.097 7.689 1.00 0.00 H new ATOM 0 HA GLU A 45 2.664 -1.437 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.275 -4.129 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.921 -2.724 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.302 -2.965 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.285 -3.952 7.434 1.00 0.00 H new ATOM 632 N CYS A 46 0.710 -2.522 5.131 1.00 0.00 N ATOM 633 CA CYS A 46 -0.040 -2.120 3.946 1.00 0.00 C ATOM 634 C CYS A 46 -0.871 -0.872 4.227 1.00 0.00 C ATOM 635 O CYS A 46 -1.133 -0.075 3.327 1.00 0.00 O ATOM 636 CB CYS A 46 -0.950 -3.259 3.482 1.00 0.00 C ATOM 637 SG CYS A 46 -0.105 -4.846 3.290 1.00 0.00 S ATOM 0 H CYS A 46 0.465 -3.444 5.493 1.00 0.00 H new ATOM 0 HA CYS A 46 0.674 -1.890 3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.762 -3.376 4.199 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.403 -2.983 2.530 1.00 0.00 H new ATOM 0 HG CYS A 46 0.485 -5.161 4.405 1.00 0.00 H new ATOM 643 N GLU A 47 -1.283 -0.711 5.480 1.00 0.00 N ATOM 644 CA GLU A 47 -2.086 0.439 5.878 1.00 0.00 C ATOM 645 C GLU A 47 -1.222 1.692 5.995 1.00 0.00 C ATOM 646 O GLU A 47 -1.421 2.667 5.270 1.00 0.00 O ATOM 647 CB GLU A 47 -2.787 0.164 7.210 1.00 0.00 C ATOM 648 CG GLU A 47 -3.242 1.422 7.930 1.00 0.00 C ATOM 649 CD GLU A 47 -3.715 1.147 9.344 1.00 0.00 C ATOM 650 OE1 GLU A 47 -2.975 0.480 10.097 1.00 0.00 O ATOM 651 OE2 GLU A 47 -4.825 1.597 9.697 1.00 0.00 O ATOM 0 H GLU A 47 -1.074 -1.362 6.237 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.839 0.608 5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.652 -0.475 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.110 -0.391 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.420 2.137 7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.050 1.887 7.365 1.00 0.00 H new ATOM 658 N LYS A 48 -0.263 1.658 6.913 1.00 0.00 N ATOM 659 CA LYS A 48 0.633 2.789 7.127 1.00 0.00 C ATOM 660 C LYS A 48 1.279 3.226 5.816 1.00 0.00 C ATOM 661 O LYS A 48 1.334 4.417 5.506 1.00 0.00 O ATOM 662 CB LYS A 48 1.716 2.423 8.144 1.00 0.00 C ATOM 663 CG LYS A 48 3.036 3.136 7.911 1.00 0.00 C ATOM 664 CD LYS A 48 4.097 2.684 8.900 1.00 0.00 C ATOM 665 CE LYS A 48 4.092 3.543 10.155 1.00 0.00 C ATOM 666 NZ LYS A 48 5.324 3.346 10.967 1.00 0.00 N ATOM 0 H LYS A 48 -0.086 0.859 7.522 1.00 0.00 H new ATOM 0 HA LYS A 48 0.044 3.619 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.357 2.660 9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.884 1.346 8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.380 2.944 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.890 4.212 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.924 1.642 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.079 2.732 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.005 4.593 9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.217 3.300 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.282 3.949 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.394 2.349 11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.158 3.602 10.401 1.00 0.00 H new ATOM 680 N HIS A 49 1.766 2.256 5.049 1.00 0.00 N ATOM 681 CA HIS A 49 2.406 2.541 3.770 1.00 0.00 C ATOM 682 C HIS A 49 1.474 3.336 2.860 1.00 0.00 C ATOM 683 O HIS A 49 1.892 4.293 2.210 1.00 0.00 O ATOM 684 CB HIS A 49 2.822 1.240 3.082 1.00 0.00 C ATOM 685 CG HIS A 49 3.583 1.452 1.810 1.00 0.00 C ATOM 686 ND1 HIS A 49 4.958 1.551 1.764 1.00 0.00 N ATOM 687 CD2 HIS A 49 3.155 1.581 0.533 1.00 0.00 C ATOM 688 CE1 HIS A 49 5.342 1.734 0.513 1.00 0.00 C ATOM 689 NE2 HIS A 49 4.267 1.756 -0.254 1.00 0.00 N ATOM 0 H HIS A 49 1.730 1.266 5.291 1.00 0.00 H new ATOM 0 HA HIS A 49 3.295 3.141 3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.434 0.655 3.769 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.930 0.650 2.868 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.130 1.552 0.195 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.362 1.846 0.175 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.263 1.882 -1.266 1.00 0.00 H new ATOM 698 N TYR A 50 0.209 2.931 2.820 1.00 0.00 N ATOM 699 CA TYR A 50 -0.782 3.603 1.988 1.00 0.00 C ATOM 700 C TYR A 50 -1.049 5.018 2.493 1.00 0.00 C ATOM 701 O TYR A 50 -0.816 5.996 1.785 1.00 0.00 O ATOM 702 CB TYR A 50 -2.086 2.804 1.964 1.00 0.00 C ATOM 703 CG TYR A 50 -3.197 3.480 1.193 1.00 0.00 C ATOM 704 CD1 TYR A 50 -3.824 4.615 1.693 1.00 0.00 C ATOM 705 CD2 TYR A 50 -3.621 2.984 -0.033 1.00 0.00 C ATOM 706 CE1 TYR A 50 -4.840 5.236 0.993 1.00 0.00 C ATOM 707 CE2 TYR A 50 -4.635 3.599 -0.741 1.00 0.00 C ATOM 708 CZ TYR A 50 -5.242 4.725 -0.223 1.00 0.00 C ATOM 709 OH TYR A 50 -6.254 5.340 -0.924 1.00 0.00 O ATOM 0 H TYR A 50 -0.154 2.141 3.354 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.384 3.667 0.975 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.894 1.825 1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.417 2.635 2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.512 5.018 2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.149 2.102 -0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.317 6.117 1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.951 3.201 -1.694 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.414 4.855 -1.760 1.00 0.00 H new ATOM 719 N MET A 51 -1.539 5.116 3.725 1.00 0.00 N ATOM 720 CA MET A 51 -1.836 6.410 4.328 1.00 0.00 C ATOM 721 C MET A 51 -0.561 7.225 4.522 1.00 0.00 C ATOM 722 O MET A 51 -0.613 8.406 4.866 1.00 0.00 O ATOM 723 CB MET A 51 -2.544 6.221 5.671 1.00 0.00 C ATOM 724 CG MET A 51 -3.906 5.557 5.551 1.00 0.00 C ATOM 725 SD MET A 51 -5.114 6.598 4.708 1.00 0.00 S ATOM 726 CE MET A 51 -5.392 7.864 5.943 1.00 0.00 C ATOM 0 H MET A 51 -1.739 4.315 4.325 1.00 0.00 H new ATOM 0 HA MET A 51 -2.495 6.955 3.652 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.912 5.620 6.324 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.664 7.193 6.150 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.801 4.617 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.275 5.312 6.547 1.00 0.00 H new ATOM 0 HE1 MET A 51 -6.303 8.413 5.703 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.496 7.399 6.923 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.547 8.552 5.955 1.00 0.00 H new ATOM 736 N LYS A 52 0.583 6.587 4.300 1.00 0.00 N ATOM 737 CA LYS A 52 1.872 7.252 4.450 1.00 0.00 C ATOM 738 C LYS A 52 2.167 8.143 3.247 1.00 0.00 C ATOM 739 O LYS A 52 2.521 9.312 3.401 1.00 0.00 O ATOM 740 CB LYS A 52 2.987 6.217 4.617 1.00 0.00 C ATOM 741 CG LYS A 52 4.360 6.733 4.223 1.00 0.00 C ATOM 742 CD LYS A 52 4.812 7.865 5.130 1.00 0.00 C ATOM 743 CE LYS A 52 5.086 7.372 6.543 1.00 0.00 C ATOM 744 NZ LYS A 52 3.855 7.377 7.381 1.00 0.00 N ATOM 0 H LYS A 52 0.644 5.609 4.015 1.00 0.00 H new ATOM 0 HA LYS A 52 1.829 7.877 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.015 5.891 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.751 5.340 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.083 5.918 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.336 7.081 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.714 8.322 4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.046 8.640 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.494 6.362 6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.844 8.003 7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.086 7.721 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.144 8.002 6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.474 6.411 7.444 1.00 0.00 H new ATOM 758 N TYR A 53 2.019 7.584 2.052 1.00 0.00 N ATOM 759 CA TYR A 53 2.270 8.327 0.823 1.00 0.00 C ATOM 760 C TYR A 53 0.961 8.738 0.157 1.00 0.00 C ATOM 761 O TYR A 53 0.650 9.925 0.052 1.00 0.00 O ATOM 762 CB TYR A 53 3.106 7.487 -0.144 1.00 0.00 C ATOM 763 CG TYR A 53 4.330 6.869 0.492 1.00 0.00 C ATOM 764 CD1 TYR A 53 5.419 7.652 0.855 1.00 0.00 C ATOM 765 CD2 TYR A 53 4.397 5.502 0.732 1.00 0.00 C ATOM 766 CE1 TYR A 53 6.540 7.091 1.436 1.00 0.00 C ATOM 767 CE2 TYR A 53 5.514 4.933 1.314 1.00 0.00 C ATOM 768 CZ TYR A 53 6.582 5.732 1.664 1.00 0.00 C ATOM 769 OH TYR A 53 7.697 5.170 2.244 1.00 0.00 O ATOM 0 H TYR A 53 1.726 6.618 1.908 1.00 0.00 H new ATOM 0 HA TYR A 53 2.823 9.230 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.482 6.694 -0.556 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.418 8.114 -0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.389 8.717 0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.562 4.874 0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.379 7.714 1.710 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.550 3.869 1.494 1.00 0.00 H new ATOM 0 HH TYR A 53 7.566 4.203 2.336 1.00 0.00 H new ATOM 779 N PHE A 54 0.197 7.748 -0.292 1.00 0.00 N ATOM 780 CA PHE A 54 -1.080 8.005 -0.948 1.00 0.00 C ATOM 781 C PHE A 54 -1.868 9.078 -0.204 1.00 0.00 C ATOM 782 O PHE A 54 -2.135 10.153 -0.741 1.00 0.00 O ATOM 783 CB PHE A 54 -1.903 6.717 -1.032 1.00 0.00 C ATOM 784 CG PHE A 54 -1.294 5.674 -1.923 1.00 0.00 C ATOM 785 CD1 PHE A 54 -0.794 6.014 -3.170 1.00 0.00 C ATOM 786 CD2 PHE A 54 -1.220 4.352 -1.515 1.00 0.00 C ATOM 787 CE1 PHE A 54 -0.234 5.055 -3.993 1.00 0.00 C ATOM 788 CE2 PHE A 54 -0.661 3.388 -2.333 1.00 0.00 C ATOM 789 CZ PHE A 54 -0.166 3.741 -3.573 1.00 0.00 C ATOM 0 H PHE A 54 0.440 6.760 -0.214 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.876 8.364 -1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.020 6.304 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.902 6.957 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.842 7.040 -3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.604 4.071 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.150 5.333 -4.963 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.611 2.361 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.274 2.991 -4.213 1.00 0.00 H new ATOM 799 N SER A 55 -2.239 8.778 1.037 1.00 0.00 N ATOM 800 CA SER A 55 -3.001 9.715 1.855 1.00 0.00 C ATOM 801 C SER A 55 -2.123 10.876 2.311 1.00 0.00 C ATOM 802 O SER A 55 -2.606 11.987 2.526 1.00 0.00 O ATOM 803 CB SER A 55 -3.592 8.999 3.071 1.00 0.00 C ATOM 804 OG SER A 55 -4.689 9.721 3.604 1.00 0.00 O ATOM 0 H SER A 55 -2.024 7.894 1.498 1.00 0.00 H new ATOM 0 HA SER A 55 -3.813 10.113 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.915 7.998 2.786 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.824 8.880 3.836 1.00 0.00 H new ATOM 0 HG SER A 55 -5.494 9.163 3.573 1.00 0.00 H new ATOM 810 N GLY A 56 -0.828 10.610 2.457 1.00 0.00 N ATOM 811 CA GLY A 56 0.097 11.641 2.887 1.00 0.00 C ATOM 812 C GLY A 56 0.585 11.427 4.306 1.00 0.00 C ATOM 813 O GLY A 56 -0.152 10.961 5.176 1.00 0.00 O ATOM 0 H GLY A 56 -0.404 9.698 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.952 11.662 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.390 12.614 2.816 1.00 0.00 H new ATOM 817 N PRO A 57 1.857 11.771 4.557 1.00 0.00 N ATOM 818 CA PRO A 57 2.472 11.622 5.880 1.00 0.00 C ATOM 819 C PRO A 57 1.903 12.604 6.897 1.00 0.00 C ATOM 820 O PRO A 57 1.604 12.234 8.033 1.00 0.00 O ATOM 821 CB PRO A 57 3.951 11.918 5.619 1.00 0.00 C ATOM 822 CG PRO A 57 3.956 12.786 4.409 1.00 0.00 C ATOM 823 CD PRO A 57 2.794 12.332 3.569 1.00 0.00 C ATOM 0 HA PRO A 57 2.290 10.635 6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.410 12.422 6.470 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.515 11.000 5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.854 13.836 4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.894 12.689 3.863 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.349 13.160 3.018 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.097 11.586 2.834 1.00 0.00 H new ATOM 831 N SER A 58 1.755 13.859 6.484 1.00 0.00 N ATOM 832 CA SER A 58 1.224 14.896 7.361 1.00 0.00 C ATOM 833 C SER A 58 0.168 14.324 8.302 1.00 0.00 C ATOM 834 O SER A 58 -0.552 13.390 7.949 1.00 0.00 O ATOM 835 CB SER A 58 0.624 16.035 6.534 1.00 0.00 C ATOM 836 OG SER A 58 1.632 16.741 5.832 1.00 0.00 O ATOM 0 H SER A 58 1.996 14.182 5.547 1.00 0.00 H new ATOM 0 HA SER A 58 2.046 15.286 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.102 15.632 5.827 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.085 16.720 7.189 1.00 0.00 H new ATOM 0 HG SER A 58 1.223 17.462 5.310 1.00 0.00 H new ATOM 842 N SER A 59 0.083 14.891 9.501 1.00 0.00 N ATOM 843 CA SER A 59 -0.882 14.436 10.495 1.00 0.00 C ATOM 844 C SER A 59 -1.989 15.468 10.689 1.00 0.00 C ATOM 845 O SER A 59 -1.841 16.416 11.459 1.00 0.00 O ATOM 846 CB SER A 59 -0.182 14.164 11.828 1.00 0.00 C ATOM 847 OG SER A 59 -0.911 13.229 12.605 1.00 0.00 O ATOM 0 H SER A 59 0.671 15.666 9.808 1.00 0.00 H new ATOM 0 HA SER A 59 -1.331 13.511 10.134 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.823 13.784 11.644 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.073 15.096 12.382 1.00 0.00 H new ATOM 0 HG SER A 59 -0.442 13.071 13.451 1.00 0.00 H new ATOM 853 N GLY A 60 -3.100 15.274 9.985 1.00 0.00 N ATOM 854 CA GLY A 60 -4.217 16.195 10.094 1.00 0.00 C ATOM 855 C GLY A 60 -5.547 15.480 10.228 1.00 0.00 C ATOM 856 O GLY A 60 -6.563 15.943 9.712 1.00 0.00 O ATOM 0 H GLY A 60 -3.247 14.496 9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.067 16.842 10.958 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.241 16.838 9.214 1.00 0.00 H new TER 860 GLY A 60