USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=23 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 -92:sc= -0.114 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot -58:sc= 0.124 USER MOD Set 2.1: A 38 MET CE :methyl -165:sc= -1.33 (180deg=-2.09) USER MOD Set 2.2: A 46 CYS SG : rot 63:sc= -1.5 USER MOD Single : A 1 GLY N :NH3+ 176:sc= 0 (180deg=-0.0146) 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 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.912 USER MOD Single : A 14 GLN : amide:sc= -0.0095 K(o=-0.0095,f=-1.3!) USER MOD Single : A 17 MET CE :methyl -174:sc= 0 (180deg=-0.0421) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 167:sc= -3.98! USER MOD Single : A 30 ASN : amide:sc= -0.355 K(o=-0.35,f=-0.93) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -1.99! K(o=-2!,f=-0.95) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot -23:sc= 0.0347 USER MOD Single : A 40 THR OG1 : rot -130:sc= -0.101 USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= -0.0644 (180deg=-0.715) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= -1.1 (180deg=-2.64!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -3.62! K(o=-3.6!,f=-4.5) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 67:sc= 1.2 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 8.861 17.168 0.419 1.00 0.00 N ATOM 2 CA GLY A 1 8.137 16.833 -0.793 1.00 0.00 C ATOM 3 C GLY A 1 8.851 17.305 -2.045 1.00 0.00 C ATOM 4 O GLY A 1 8.226 17.845 -2.957 1.00 0.00 O ATOM 0 H1 GLY A 1 8.300 16.885 1.248 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.772 16.666 0.429 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.031 18.194 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.998 15.753 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.144 17.280 -0.755 1.00 0.00 H new ATOM 8 N SER A 2 10.164 17.102 -2.087 1.00 0.00 N ATOM 9 CA SER A 2 10.964 17.516 -3.233 1.00 0.00 C ATOM 10 C SER A 2 11.119 16.371 -4.229 1.00 0.00 C ATOM 11 O SER A 2 10.922 16.548 -5.432 1.00 0.00 O ATOM 12 CB SER A 2 12.342 17.997 -2.773 1.00 0.00 C ATOM 13 OG SER A 2 12.270 19.302 -2.226 1.00 0.00 O ATOM 0 H SER A 2 10.696 16.654 -1.341 1.00 0.00 H new ATOM 0 HA SER A 2 10.447 18.338 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.741 17.309 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.033 17.990 -3.616 1.00 0.00 H new ATOM 0 HG SER A 2 13.163 19.586 -1.938 1.00 0.00 H new ATOM 19 N SER A 3 11.474 15.196 -3.720 1.00 0.00 N ATOM 20 CA SER A 3 11.660 14.021 -4.564 1.00 0.00 C ATOM 21 C SER A 3 10.353 13.631 -5.247 1.00 0.00 C ATOM 22 O SER A 3 9.276 14.075 -4.852 1.00 0.00 O ATOM 23 CB SER A 3 12.185 12.848 -3.734 1.00 0.00 C ATOM 24 OG SER A 3 13.552 13.026 -3.407 1.00 0.00 O ATOM 0 H SER A 3 11.639 15.032 -2.727 1.00 0.00 H new ATOM 0 HA SER A 3 12.392 14.269 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.599 12.754 -2.820 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.059 11.919 -4.291 1.00 0.00 H new ATOM 0 HG SER A 3 13.863 12.264 -2.875 1.00 0.00 H new ATOM 30 N GLY A 4 10.457 12.796 -6.277 1.00 0.00 N ATOM 31 CA GLY A 4 9.277 12.359 -7.000 1.00 0.00 C ATOM 32 C GLY A 4 8.594 11.180 -6.336 1.00 0.00 C ATOM 33 O GLY A 4 8.143 10.254 -7.011 1.00 0.00 O ATOM 0 H GLY A 4 11.337 12.415 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.573 13.188 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.558 12.086 -8.017 1.00 0.00 H new ATOM 37 N SER A 5 8.517 11.212 -5.010 1.00 0.00 N ATOM 38 CA SER A 5 7.889 10.134 -4.254 1.00 0.00 C ATOM 39 C SER A 5 8.523 8.790 -4.596 1.00 0.00 C ATOM 40 O SER A 5 7.829 7.785 -4.753 1.00 0.00 O ATOM 41 CB SER A 5 6.387 10.090 -4.541 1.00 0.00 C ATOM 42 OG SER A 5 5.672 10.924 -3.645 1.00 0.00 O ATOM 0 H SER A 5 8.882 11.973 -4.436 1.00 0.00 H new ATOM 0 HA SER A 5 8.044 10.329 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.200 10.408 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.027 9.065 -4.455 1.00 0.00 H new ATOM 0 HG SER A 5 4.715 10.880 -3.850 1.00 0.00 H new ATOM 48 N SER A 6 9.848 8.779 -4.709 1.00 0.00 N ATOM 49 CA SER A 6 10.577 7.559 -5.036 1.00 0.00 C ATOM 50 C SER A 6 11.806 7.405 -4.145 1.00 0.00 C ATOM 51 O SER A 6 12.781 8.143 -4.280 1.00 0.00 O ATOM 52 CB SER A 6 10.998 7.570 -6.507 1.00 0.00 C ATOM 53 OG SER A 6 11.586 6.336 -6.879 1.00 0.00 O ATOM 0 H SER A 6 10.438 9.601 -4.579 1.00 0.00 H new ATOM 0 HA SER A 6 9.914 6.711 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.129 7.766 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.706 8.380 -6.680 1.00 0.00 H new ATOM 0 HG SER A 6 11.845 6.369 -7.824 1.00 0.00 H new ATOM 59 N GLY A 7 11.750 6.440 -3.233 1.00 0.00 N ATOM 60 CA GLY A 7 12.863 6.205 -2.332 1.00 0.00 C ATOM 61 C GLY A 7 12.549 5.157 -1.282 1.00 0.00 C ATOM 62 O GLY A 7 12.928 5.300 -0.120 1.00 0.00 O ATOM 0 H GLY A 7 10.954 5.816 -3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.732 5.888 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.131 7.140 -1.839 1.00 0.00 H new ATOM 66 N ASP A 8 11.853 4.103 -1.692 1.00 0.00 N ATOM 67 CA ASP A 8 11.487 3.026 -0.778 1.00 0.00 C ATOM 68 C ASP A 8 12.380 1.808 -0.989 1.00 0.00 C ATOM 69 O ASP A 8 12.132 0.967 -1.853 1.00 0.00 O ATOM 70 CB ASP A 8 10.021 2.639 -0.974 1.00 0.00 C ATOM 71 CG ASP A 8 9.117 3.848 -1.118 1.00 0.00 C ATOM 72 OD1 ASP A 8 9.248 4.568 -2.130 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.279 4.074 -0.220 1.00 0.00 O ATOM 0 H ASP A 8 11.531 3.971 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 8 11.627 3.384 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.929 2.013 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.690 2.040 -0.126 1.00 0.00 H new ATOM 78 N PRO A 9 13.446 1.708 -0.180 1.00 0.00 N ATOM 79 CA PRO A 9 14.398 0.597 -0.259 1.00 0.00 C ATOM 80 C PRO A 9 13.793 -0.720 0.215 1.00 0.00 C ATOM 81 O PRO A 9 14.218 -1.796 -0.204 1.00 0.00 O ATOM 82 CB PRO A 9 15.530 1.032 0.675 1.00 0.00 C ATOM 83 CG PRO A 9 14.887 1.966 1.640 1.00 0.00 C ATOM 84 CD PRO A 9 13.804 2.673 0.873 1.00 0.00 C ATOM 0 HA PRO A 9 14.720 0.409 -1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 9 15.972 0.177 1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 9 16.332 1.523 0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 9 14.473 1.424 2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.612 2.677 2.037 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.950 2.909 1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.158 3.614 0.452 1.00 0.00 H new ATOM 92 N SER A 10 12.798 -0.627 1.092 1.00 0.00 N ATOM 93 CA SER A 10 12.137 -1.811 1.627 1.00 0.00 C ATOM 94 C SER A 10 11.018 -2.274 0.698 1.00 0.00 C ATOM 95 O SER A 10 10.960 -3.441 0.313 1.00 0.00 O ATOM 96 CB SER A 10 11.572 -1.522 3.019 1.00 0.00 C ATOM 97 OG SER A 10 10.687 -2.547 3.434 1.00 0.00 O ATOM 0 H SER A 10 12.432 0.257 1.447 1.00 0.00 H new ATOM 0 HA SER A 10 12.878 -2.607 1.702 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.389 -1.431 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.048 -0.566 3.011 1.00 0.00 H new ATOM 0 HG SER A 10 10.341 -2.339 4.327 1.00 0.00 H new ATOM 103 N TRP A 11 10.133 -1.350 0.343 1.00 0.00 N ATOM 104 CA TRP A 11 9.015 -1.662 -0.540 1.00 0.00 C ATOM 105 C TRP A 11 9.455 -1.649 -2.000 1.00 0.00 C ATOM 106 O TRP A 11 10.535 -1.157 -2.330 1.00 0.00 O ATOM 107 CB TRP A 11 7.877 -0.662 -0.329 1.00 0.00 C ATOM 108 CG TRP A 11 6.949 -1.044 0.784 1.00 0.00 C ATOM 109 CD1 TRP A 11 7.283 -1.259 2.091 1.00 0.00 C ATOM 110 CD2 TRP A 11 5.537 -1.258 0.688 1.00 0.00 C ATOM 111 NE1 TRP A 11 6.163 -1.594 2.813 1.00 0.00 N ATOM 112 CE2 TRP A 11 5.079 -1.599 1.976 1.00 0.00 C ATOM 113 CE3 TRP A 11 4.615 -1.193 -0.359 1.00 0.00 C ATOM 114 CZ2 TRP A 11 3.740 -1.875 2.240 1.00 0.00 C ATOM 115 CZ3 TRP A 11 3.286 -1.467 -0.095 1.00 0.00 C ATOM 116 CH2 TRP A 11 2.859 -1.804 1.196 1.00 0.00 C ATOM 0 H TRP A 11 10.168 -0.379 0.653 1.00 0.00 H new ATOM 0 HA TRP A 11 8.660 -2.663 -0.295 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.300 0.320 -0.118 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.306 -0.572 -1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.280 -1.178 2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.142 -1.805 3.811 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.935 -0.933 -1.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.409 -2.136 3.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.565 -1.420 -0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.814 -2.012 1.370 1.00 0.00 H new ATOM 127 N THR A 12 8.612 -2.193 -2.873 1.00 0.00 N ATOM 128 CA THR A 12 8.915 -2.245 -4.297 1.00 0.00 C ATOM 129 C THR A 12 7.773 -1.665 -5.124 1.00 0.00 C ATOM 130 O THR A 12 6.653 -1.519 -4.636 1.00 0.00 O ATOM 131 CB THR A 12 9.188 -3.688 -4.762 1.00 0.00 C ATOM 132 OG1 THR A 12 7.977 -4.452 -4.723 1.00 0.00 O ATOM 133 CG2 THR A 12 10.239 -4.350 -3.883 1.00 0.00 C ATOM 0 H THR A 12 7.714 -2.604 -2.618 1.00 0.00 H new ATOM 0 HA THR A 12 9.813 -1.646 -4.450 1.00 0.00 H new ATOM 0 HB THR A 12 9.563 -3.652 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.158 -5.368 -5.021 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.415 -5.368 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.168 -3.782 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.888 -4.374 -2.851 1.00 0.00 H new ATOM 141 N ALA A 13 8.064 -1.336 -6.378 1.00 0.00 N ATOM 142 CA ALA A 13 7.060 -0.775 -7.273 1.00 0.00 C ATOM 143 C ALA A 13 5.839 -1.684 -7.369 1.00 0.00 C ATOM 144 O ALA A 13 4.703 -1.212 -7.378 1.00 0.00 O ATOM 145 CB ALA A 13 7.655 -0.541 -8.654 1.00 0.00 C ATOM 0 H ALA A 13 8.987 -1.448 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 13 6.737 0.181 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.894 -0.122 -9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.491 0.154 -8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.007 -1.488 -9.064 1.00 0.00 H new ATOM 151 N GLN A 14 6.083 -2.988 -7.440 1.00 0.00 N ATOM 152 CA GLN A 14 5.002 -3.962 -7.536 1.00 0.00 C ATOM 153 C GLN A 14 4.054 -3.843 -6.348 1.00 0.00 C ATOM 154 O GLN A 14 2.836 -3.904 -6.506 1.00 0.00 O ATOM 155 CB GLN A 14 5.571 -5.381 -7.610 1.00 0.00 C ATOM 156 CG GLN A 14 6.522 -5.595 -8.776 1.00 0.00 C ATOM 157 CD GLN A 14 5.802 -5.694 -10.107 1.00 0.00 C ATOM 158 OE1 GLN A 14 4.636 -6.086 -10.166 1.00 0.00 O ATOM 159 NE2 GLN A 14 6.493 -5.339 -11.183 1.00 0.00 N ATOM 0 H GLN A 14 7.018 -3.395 -7.433 1.00 0.00 H new ATOM 0 HA GLN A 14 4.440 -3.755 -8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.094 -5.603 -6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.747 -6.090 -7.689 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.235 -4.772 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.096 -6.507 -8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.457 -5.020 -11.088 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.060 -5.385 -12.105 1.00 0.00 H new ATOM 168 N GLU A 15 4.623 -3.674 -5.158 1.00 0.00 N ATOM 169 CA GLU A 15 3.828 -3.547 -3.943 1.00 0.00 C ATOM 170 C GLU A 15 2.942 -2.306 -3.999 1.00 0.00 C ATOM 171 O GLU A 15 1.782 -2.340 -3.590 1.00 0.00 O ATOM 172 CB GLU A 15 4.738 -3.482 -2.715 1.00 0.00 C ATOM 173 CG GLU A 15 5.044 -4.842 -2.111 1.00 0.00 C ATOM 174 CD GLU A 15 6.264 -5.495 -2.733 1.00 0.00 C ATOM 175 OE1 GLU A 15 7.384 -5.258 -2.234 1.00 0.00 O ATOM 176 OE2 GLU A 15 6.098 -6.244 -3.718 1.00 0.00 O ATOM 0 H GLU A 15 5.631 -3.622 -5.010 1.00 0.00 H new ATOM 0 HA GLU A 15 3.188 -4.426 -3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.674 -2.998 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.268 -2.855 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.203 -4.732 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.181 -5.495 -2.240 1.00 0.00 H new ATOM 183 N GLU A 16 3.499 -1.211 -4.508 1.00 0.00 N ATOM 184 CA GLU A 16 2.760 0.041 -4.616 1.00 0.00 C ATOM 185 C GLU A 16 1.507 -0.138 -5.468 1.00 0.00 C ATOM 186 O GLU A 16 0.395 0.143 -5.022 1.00 0.00 O ATOM 187 CB GLU A 16 3.647 1.132 -5.218 1.00 0.00 C ATOM 188 CG GLU A 16 4.841 1.494 -4.351 1.00 0.00 C ATOM 189 CD GLU A 16 5.465 2.820 -4.740 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.769 3.638 -5.377 1.00 0.00 O ATOM 191 OE2 GLU A 16 6.649 3.040 -4.407 1.00 0.00 O ATOM 0 H GLU A 16 4.458 -1.166 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 16 2.457 0.341 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.004 0.801 -6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.046 2.026 -5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.528 1.536 -3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.592 0.707 -4.427 1.00 0.00 H new ATOM 198 N MET A 17 1.696 -0.607 -6.697 1.00 0.00 N ATOM 199 CA MET A 17 0.581 -0.825 -7.612 1.00 0.00 C ATOM 200 C MET A 17 -0.420 -1.813 -7.022 1.00 0.00 C ATOM 201 O MET A 17 -1.615 -1.527 -6.942 1.00 0.00 O ATOM 202 CB MET A 17 1.092 -1.341 -8.958 1.00 0.00 C ATOM 203 CG MET A 17 1.607 -0.242 -9.874 1.00 0.00 C ATOM 204 SD MET A 17 1.850 -0.808 -11.569 1.00 0.00 S ATOM 205 CE MET A 17 3.245 -1.912 -11.360 1.00 0.00 C ATOM 0 H MET A 17 2.610 -0.843 -7.082 1.00 0.00 H new ATOM 0 HA MET A 17 0.076 0.129 -7.765 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.892 -2.061 -8.782 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.287 -1.876 -9.462 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.902 0.589 -9.870 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.551 0.139 -9.483 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.583 -2.260 -12.336 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.057 -1.382 -10.862 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.945 -2.767 -10.754 1.00 0.00 H new ATOM 215 N ALA A 18 0.074 -2.976 -6.612 1.00 0.00 N ATOM 216 CA ALA A 18 -0.778 -4.005 -6.029 1.00 0.00 C ATOM 217 C ALA A 18 -1.647 -3.432 -4.915 1.00 0.00 C ATOM 218 O ALA A 18 -2.828 -3.765 -4.801 1.00 0.00 O ATOM 219 CB ALA A 18 0.068 -5.155 -5.502 1.00 0.00 C ATOM 0 H ALA A 18 1.060 -3.229 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.437 -4.382 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.581 -5.916 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.641 -5.590 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.751 -4.784 -4.738 1.00 0.00 H new ATOM 225 N LEU A 19 -1.057 -2.570 -4.095 1.00 0.00 N ATOM 226 CA LEU A 19 -1.778 -1.950 -2.988 1.00 0.00 C ATOM 227 C LEU A 19 -2.982 -1.163 -3.496 1.00 0.00 C ATOM 228 O LEU A 19 -4.090 -1.298 -2.975 1.00 0.00 O ATOM 229 CB LEU A 19 -0.847 -1.028 -2.200 1.00 0.00 C ATOM 230 CG LEU A 19 -1.415 -0.450 -0.903 1.00 0.00 C ATOM 231 CD1 LEU A 19 -1.872 -1.566 0.024 1.00 0.00 C ATOM 232 CD2 LEU A 19 -0.382 0.429 -0.213 1.00 0.00 C ATOM 0 H LEU A 19 -0.081 -2.284 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.136 -2.742 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.062 -1.580 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.556 -0.200 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.280 0.166 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.273 -1.136 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.646 -2.155 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.025 -2.209 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.804 0.832 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.502 -0.164 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.103 1.250 -0.874 1.00 0.00 H new ATOM 244 N LEU A 20 -2.759 -0.343 -4.516 1.00 0.00 N ATOM 245 CA LEU A 20 -3.826 0.465 -5.097 1.00 0.00 C ATOM 246 C LEU A 20 -4.895 -0.420 -5.729 1.00 0.00 C ATOM 247 O LEU A 20 -6.086 -0.257 -5.464 1.00 0.00 O ATOM 248 CB LEU A 20 -3.255 1.423 -6.144 1.00 0.00 C ATOM 249 CG LEU A 20 -2.326 2.517 -5.617 1.00 0.00 C ATOM 250 CD1 LEU A 20 -1.485 3.092 -6.746 1.00 0.00 C ATOM 251 CD2 LEU A 20 -3.128 3.615 -4.933 1.00 0.00 C ATOM 0 H LEU A 20 -1.848 -0.219 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.287 1.045 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.710 0.837 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.087 1.899 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.655 2.074 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.830 3.869 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.882 2.300 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.139 3.520 -7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.450 4.385 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.824 4.056 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.685 3.192 -4.097 1.00 0.00 H new ATOM 263 N GLU A 21 -4.462 -1.358 -6.566 1.00 0.00 N ATOM 264 CA GLU A 21 -5.383 -2.269 -7.235 1.00 0.00 C ATOM 265 C GLU A 21 -6.256 -3.002 -6.221 1.00 0.00 C ATOM 266 O GLU A 21 -7.449 -3.206 -6.445 1.00 0.00 O ATOM 267 CB GLU A 21 -4.609 -3.280 -8.083 1.00 0.00 C ATOM 268 CG GLU A 21 -3.720 -2.639 -9.135 1.00 0.00 C ATOM 269 CD GLU A 21 -4.471 -1.660 -10.015 1.00 0.00 C ATOM 270 OE1 GLU A 21 -5.095 -2.105 -11.001 1.00 0.00 O ATOM 271 OE2 GLU A 21 -4.436 -0.447 -9.718 1.00 0.00 O ATOM 0 H GLU A 21 -3.480 -1.507 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.029 -1.679 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.994 -3.897 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.317 -3.946 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.896 -2.122 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.280 -3.418 -9.758 1.00 0.00 H new ATOM 278 N ALA A 22 -5.653 -3.394 -5.104 1.00 0.00 N ATOM 279 CA ALA A 22 -6.375 -4.103 -4.054 1.00 0.00 C ATOM 280 C ALA A 22 -7.284 -3.156 -3.278 1.00 0.00 C ATOM 281 O ALA A 22 -8.452 -3.460 -3.036 1.00 0.00 O ATOM 282 CB ALA A 22 -5.397 -4.789 -3.112 1.00 0.00 C ATOM 0 H ALA A 22 -4.666 -3.233 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.001 -4.861 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.950 -5.314 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.792 -5.502 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.747 -4.042 -2.655 1.00 0.00 H new ATOM 288 N VAL A 23 -6.740 -2.007 -2.889 1.00 0.00 N ATOM 289 CA VAL A 23 -7.503 -1.015 -2.141 1.00 0.00 C ATOM 290 C VAL A 23 -8.690 -0.507 -2.952 1.00 0.00 C ATOM 291 O VAL A 23 -9.665 -0.004 -2.396 1.00 0.00 O ATOM 292 CB VAL A 23 -6.622 0.182 -1.736 1.00 0.00 C ATOM 293 CG1 VAL A 23 -7.478 1.313 -1.187 1.00 0.00 C ATOM 294 CG2 VAL A 23 -5.576 -0.248 -0.718 1.00 0.00 C ATOM 0 H VAL A 23 -5.774 -1.740 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.868 -1.510 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.105 0.547 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.839 2.150 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.186 1.637 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.024 0.964 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.962 0.610 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.072 -0.639 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.943 -1.023 -1.151 1.00 0.00 H new ATOM 304 N MET A 24 -8.599 -0.643 -4.271 1.00 0.00 N ATOM 305 CA MET A 24 -9.667 -0.199 -5.160 1.00 0.00 C ATOM 306 C MET A 24 -10.594 -1.356 -5.516 1.00 0.00 C ATOM 307 O MET A 24 -11.773 -1.152 -5.806 1.00 0.00 O ATOM 308 CB MET A 24 -9.078 0.409 -6.435 1.00 0.00 C ATOM 309 CG MET A 24 -8.444 -0.617 -7.360 1.00 0.00 C ATOM 310 SD MET A 24 -7.872 0.106 -8.910 1.00 0.00 S ATOM 311 CE MET A 24 -9.409 0.202 -9.826 1.00 0.00 C ATOM 0 H MET A 24 -7.798 -1.057 -4.748 1.00 0.00 H new ATOM 0 HA MET A 24 -10.248 0.561 -4.638 1.00 0.00 H new ATOM 0 HB2 MET A 24 -9.866 0.935 -6.974 1.00 0.00 H new ATOM 0 HB3 MET A 24 -8.329 1.152 -6.161 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.603 -1.089 -6.851 1.00 0.00 H new ATOM 0 HG3 MET A 24 -9.168 -1.403 -7.575 1.00 0.00 H new ATOM 0 HE1 MET A 24 -9.220 0.630 -10.810 1.00 0.00 H new ATOM 0 HE2 MET A 24 -9.828 -0.798 -9.940 1.00 0.00 H new ATOM 0 HE3 MET A 24 -10.116 0.832 -9.286 1.00 0.00 H new ATOM 321 N ASP A 25 -10.055 -2.570 -5.492 1.00 0.00 N ATOM 322 CA ASP A 25 -10.835 -3.760 -5.811 1.00 0.00 C ATOM 323 C ASP A 25 -11.691 -4.184 -4.622 1.00 0.00 C ATOM 324 O ASP A 25 -12.815 -4.658 -4.791 1.00 0.00 O ATOM 325 CB ASP A 25 -9.910 -4.906 -6.224 1.00 0.00 C ATOM 326 CG ASP A 25 -9.683 -4.956 -7.722 1.00 0.00 C ATOM 327 OD1 ASP A 25 -10.680 -4.985 -8.472 1.00 0.00 O ATOM 328 OD2 ASP A 25 -8.507 -4.967 -8.144 1.00 0.00 O ATOM 0 H ASP A 25 -9.081 -2.756 -5.255 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.496 -3.519 -6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.951 -4.795 -5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.338 -5.852 -5.893 1.00 0.00 H new ATOM 333 N CYS A 26 -11.152 -4.011 -3.420 1.00 0.00 N ATOM 334 CA CYS A 26 -11.866 -4.377 -2.202 1.00 0.00 C ATOM 335 C CYS A 26 -12.428 -3.140 -1.508 1.00 0.00 C ATOM 336 O CYS A 26 -13.643 -2.966 -1.416 1.00 0.00 O ATOM 337 CB CYS A 26 -10.939 -5.133 -1.250 1.00 0.00 C ATOM 338 SG CYS A 26 -10.221 -6.635 -1.956 1.00 0.00 S ATOM 0 H CYS A 26 -10.223 -3.620 -3.263 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.697 -5.025 -2.479 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.132 -4.468 -0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.496 -5.397 -0.351 1.00 0.00 H new ATOM 0 HG CYS A 26 -9.252 -7.052 -1.196 1.00 0.00 H new ATOM 344 N GLY A 27 -11.536 -2.285 -1.020 1.00 0.00 N ATOM 345 CA GLY A 27 -11.962 -1.076 -0.339 1.00 0.00 C ATOM 346 C GLY A 27 -11.037 -0.696 0.800 1.00 0.00 C ATOM 347 O GLY A 27 -10.233 -1.510 1.255 1.00 0.00 O ATOM 0 H GLY A 27 -10.525 -2.407 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.007 -0.256 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.971 -1.217 0.048 1.00 0.00 H new ATOM 351 N PHE A 28 -11.150 0.545 1.263 1.00 0.00 N ATOM 352 CA PHE A 28 -10.316 1.032 2.355 1.00 0.00 C ATOM 353 C PHE A 28 -10.734 0.403 3.681 1.00 0.00 C ATOM 354 O PHE A 28 -11.904 0.084 3.888 1.00 0.00 O ATOM 355 CB PHE A 28 -10.403 2.557 2.451 1.00 0.00 C ATOM 356 CG PHE A 28 -9.278 3.174 3.232 1.00 0.00 C ATOM 357 CD1 PHE A 28 -8.109 3.563 2.598 1.00 0.00 C ATOM 358 CD2 PHE A 28 -9.390 3.364 4.600 1.00 0.00 C ATOM 359 CE1 PHE A 28 -7.072 4.131 3.314 1.00 0.00 C ATOM 360 CE2 PHE A 28 -8.357 3.933 5.320 1.00 0.00 C ATOM 361 CZ PHE A 28 -7.196 4.315 4.677 1.00 0.00 C ATOM 0 H PHE A 28 -11.811 1.231 0.899 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.285 0.746 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.409 2.977 1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.350 2.830 2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.007 3.421 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.294 3.064 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.166 4.430 2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.457 4.079 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.387 4.757 5.239 1.00 0.00 H new ATOM 371 N GLY A 29 -9.767 0.228 4.578 1.00 0.00 N ATOM 372 CA GLY A 29 -10.054 -0.362 5.872 1.00 0.00 C ATOM 373 C GLY A 29 -9.983 -1.876 5.847 1.00 0.00 C ATOM 374 O GLY A 29 -9.686 -2.507 6.861 1.00 0.00 O ATOM 0 H GLY A 29 -8.791 0.484 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.346 0.020 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.048 -0.053 6.196 1.00 0.00 H new ATOM 378 N ASN A 30 -10.258 -2.461 4.686 1.00 0.00 N ATOM 379 CA ASN A 30 -10.226 -3.911 4.534 1.00 0.00 C ATOM 380 C ASN A 30 -8.793 -4.410 4.379 1.00 0.00 C ATOM 381 O ASN A 30 -8.507 -5.252 3.527 1.00 0.00 O ATOM 382 CB ASN A 30 -11.060 -4.336 3.324 1.00 0.00 C ATOM 383 CG ASN A 30 -12.289 -3.468 3.135 1.00 0.00 C ATOM 384 OD1 ASN A 30 -12.880 -2.990 4.103 1.00 0.00 O ATOM 385 ND2 ASN A 30 -12.679 -3.260 1.882 1.00 0.00 N ATOM 0 H ASN A 30 -10.506 -1.953 3.837 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.651 -4.355 5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.443 -4.288 2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.367 -5.375 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.499 -2.684 1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.158 -3.676 1.110 1.00 0.00 H new ATOM 392 N TRP A 31 -7.897 -3.886 5.207 1.00 0.00 N ATOM 393 CA TRP A 31 -6.493 -4.280 5.162 1.00 0.00 C ATOM 394 C TRP A 31 -6.355 -5.783 4.946 1.00 0.00 C ATOM 395 O TRP A 31 -5.405 -6.242 4.313 1.00 0.00 O ATOM 396 CB TRP A 31 -5.787 -3.872 6.456 1.00 0.00 C ATOM 397 CG TRP A 31 -5.937 -2.416 6.781 1.00 0.00 C ATOM 398 CD1 TRP A 31 -6.397 -1.881 7.950 1.00 0.00 C ATOM 399 CD2 TRP A 31 -5.628 -1.311 5.926 1.00 0.00 C ATOM 400 NE1 TRP A 31 -6.393 -0.509 7.873 1.00 0.00 N ATOM 401 CE2 TRP A 31 -5.924 -0.134 6.642 1.00 0.00 C ATOM 402 CE3 TRP A 31 -5.127 -1.200 4.626 1.00 0.00 C ATOM 403 CZ2 TRP A 31 -5.737 1.134 6.099 1.00 0.00 C ATOM 404 CZ3 TRP A 31 -4.943 0.060 4.088 1.00 0.00 C ATOM 405 CH2 TRP A 31 -5.246 1.213 4.824 1.00 0.00 C ATOM 0 H TRP A 31 -8.117 -3.188 5.917 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.024 -3.767 4.322 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.185 -4.464 7.281 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.727 -4.111 6.374 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.717 -2.452 8.809 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.691 0.127 8.613 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.888 -2.083 4.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.971 2.024 6.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.559 0.157 3.083 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.089 2.183 4.376 1.00 0.00 H new ATOM 416 N GLN A 32 -7.309 -6.542 5.474 1.00 0.00 N ATOM 417 CA GLN A 32 -7.293 -7.994 5.338 1.00 0.00 C ATOM 418 C GLN A 32 -7.401 -8.404 3.873 1.00 0.00 C ATOM 419 O GLN A 32 -6.505 -9.052 3.332 1.00 0.00 O ATOM 420 CB GLN A 32 -8.437 -8.616 6.140 1.00 0.00 C ATOM 421 CG GLN A 32 -8.602 -10.109 5.907 1.00 0.00 C ATOM 422 CD GLN A 32 -7.764 -10.944 6.856 1.00 0.00 C ATOM 423 OE1 GLN A 32 -8.174 -11.222 7.983 1.00 0.00 O ATOM 424 NE2 GLN A 32 -6.584 -11.350 6.403 1.00 0.00 N ATOM 0 H GLN A 32 -8.103 -6.176 6.000 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.344 -8.360 5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.263 -8.439 7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.368 -8.111 5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.652 -10.377 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.325 -10.345 4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.284 -11.096 5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.977 -11.916 6.996 1.00 0.00 H new ATOM 433 N ASP A 33 -8.504 -8.023 3.237 1.00 0.00 N ATOM 434 CA ASP A 33 -8.729 -8.351 1.834 1.00 0.00 C ATOM 435 C ASP A 33 -7.567 -7.873 0.971 1.00 0.00 C ATOM 436 O ASP A 33 -7.087 -8.598 0.099 1.00 0.00 O ATOM 437 CB ASP A 33 -10.036 -7.724 1.346 1.00 0.00 C ATOM 438 CG ASP A 33 -10.696 -8.539 0.251 1.00 0.00 C ATOM 439 OD1 ASP A 33 -9.965 -9.176 -0.536 1.00 0.00 O ATOM 440 OD2 ASP A 33 -11.943 -8.539 0.181 1.00 0.00 O ATOM 0 H ASP A 33 -9.256 -7.487 3.671 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.800 -9.435 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.724 -7.625 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.837 -6.718 0.976 1.00 0.00 H new ATOM 445 N VAL A 34 -7.118 -6.646 1.218 1.00 0.00 N ATOM 446 CA VAL A 34 -6.011 -6.070 0.463 1.00 0.00 C ATOM 447 C VAL A 34 -4.757 -6.929 0.585 1.00 0.00 C ATOM 448 O VAL A 34 -4.015 -7.102 -0.381 1.00 0.00 O ATOM 449 CB VAL A 34 -5.690 -4.641 0.939 1.00 0.00 C ATOM 450 CG1 VAL A 34 -4.549 -4.050 0.125 1.00 0.00 C ATOM 451 CG2 VAL A 34 -6.928 -3.761 0.854 1.00 0.00 C ATOM 0 H VAL A 34 -7.504 -6.032 1.935 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.324 -6.035 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.375 -4.686 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.337 -3.040 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.660 -4.669 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.832 -4.016 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.683 -2.755 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.275 -3.721 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.714 -4.176 1.485 1.00 0.00 H new ATOM 461 N ALA A 35 -4.527 -7.464 1.780 1.00 0.00 N ATOM 462 CA ALA A 35 -3.364 -8.306 2.028 1.00 0.00 C ATOM 463 C ALA A 35 -3.261 -9.420 0.992 1.00 0.00 C ATOM 464 O ALA A 35 -2.207 -10.033 0.828 1.00 0.00 O ATOM 465 CB ALA A 35 -3.427 -8.893 3.431 1.00 0.00 C ATOM 0 H ALA A 35 -5.131 -7.329 2.591 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.473 -7.684 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.552 -9.520 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.444 -8.085 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.330 -9.495 3.533 1.00 0.00 H new ATOM 471 N ASN A 36 -4.363 -9.676 0.294 1.00 0.00 N ATOM 472 CA ASN A 36 -4.397 -10.717 -0.727 1.00 0.00 C ATOM 473 C ASN A 36 -3.237 -10.558 -1.705 1.00 0.00 C ATOM 474 O ASN A 36 -2.389 -11.441 -1.826 1.00 0.00 O ATOM 475 CB ASN A 36 -5.726 -10.677 -1.483 1.00 0.00 C ATOM 476 CG ASN A 36 -6.828 -11.423 -0.756 1.00 0.00 C ATOM 477 OD1 ASN A 36 -7.475 -12.304 -1.324 1.00 0.00 O ATOM 478 ND2 ASN A 36 -7.047 -11.074 0.506 1.00 0.00 N ATOM 0 H ASN A 36 -5.244 -9.177 0.417 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.300 -11.682 -0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.028 -9.640 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.590 -11.110 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.776 -11.542 1.045 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.487 -10.338 0.936 1.00 0.00 H new ATOM 485 N GLN A 37 -3.208 -9.425 -2.400 1.00 0.00 N ATOM 486 CA GLN A 37 -2.153 -9.150 -3.367 1.00 0.00 C ATOM 487 C GLN A 37 -0.948 -8.505 -2.690 1.00 0.00 C ATOM 488 O GLN A 37 0.148 -8.477 -3.248 1.00 0.00 O ATOM 489 CB GLN A 37 -2.676 -8.239 -4.480 1.00 0.00 C ATOM 490 CG GLN A 37 -3.665 -8.922 -5.410 1.00 0.00 C ATOM 491 CD GLN A 37 -3.861 -8.167 -6.710 1.00 0.00 C ATOM 492 OE1 GLN A 37 -3.294 -8.527 -7.742 1.00 0.00 O ATOM 493 NE2 GLN A 37 -4.667 -7.112 -6.666 1.00 0.00 N ATOM 0 H GLN A 37 -3.903 -8.684 -2.311 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.838 -10.099 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.154 -7.368 -4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.832 -7.873 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.315 -9.931 -5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.625 -9.021 -4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.116 -6.850 -5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.837 -6.564 -7.510 1.00 0.00 H new ATOM 502 N MET A 38 -1.160 -7.987 -1.485 1.00 0.00 N ATOM 503 CA MET A 38 -0.091 -7.342 -0.731 1.00 0.00 C ATOM 504 C MET A 38 0.593 -8.337 0.202 1.00 0.00 C ATOM 505 O MET A 38 1.549 -7.994 0.897 1.00 0.00 O ATOM 506 CB MET A 38 -0.643 -6.166 0.075 1.00 0.00 C ATOM 507 CG MET A 38 -1.294 -5.093 -0.784 1.00 0.00 C ATOM 508 SD MET A 38 -0.156 -4.383 -1.989 1.00 0.00 S ATOM 509 CE MET A 38 1.359 -4.334 -1.035 1.00 0.00 C ATOM 0 H MET A 38 -2.062 -8.001 -1.009 1.00 0.00 H new ATOM 0 HA MET A 38 0.647 -6.970 -1.442 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.374 -6.539 0.792 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.167 -5.718 0.650 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.150 -5.521 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.677 -4.301 -0.141 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.082 -3.687 -1.533 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.149 -3.945 -0.039 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.770 -5.340 -0.952 1.00 0.00 H new ATOM 519 N CYS A 39 0.096 -9.569 0.212 1.00 0.00 N ATOM 520 CA CYS A 39 0.658 -10.613 1.062 1.00 0.00 C ATOM 521 C CYS A 39 2.159 -10.416 1.243 1.00 0.00 C ATOM 522 O CYS A 39 2.723 -10.774 2.278 1.00 0.00 O ATOM 523 CB CYS A 39 0.381 -11.992 0.461 1.00 0.00 C ATOM 524 SG CYS A 39 1.008 -13.368 1.452 1.00 0.00 S ATOM 0 H CYS A 39 -0.694 -9.869 -0.358 1.00 0.00 H new ATOM 0 HA CYS A 39 0.181 -10.548 2.040 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.695 -12.111 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.828 -12.040 -0.532 1.00 0.00 H new ATOM 0 HG CYS A 39 1.970 -12.948 2.219 1.00 0.00 H new ATOM 530 N THR A 40 2.803 -9.846 0.229 1.00 0.00 N ATOM 531 CA THR A 40 4.240 -9.604 0.275 1.00 0.00 C ATOM 532 C THR A 40 4.642 -8.926 1.580 1.00 0.00 C ATOM 533 O THR A 40 5.821 -8.877 1.929 1.00 0.00 O ATOM 534 CB THR A 40 4.701 -8.731 -0.907 1.00 0.00 C ATOM 535 OG1 THR A 40 3.787 -7.645 -1.099 1.00 0.00 O ATOM 536 CG2 THR A 40 4.795 -9.553 -2.183 1.00 0.00 C ATOM 0 H THR A 40 2.352 -9.543 -0.634 1.00 0.00 H new ATOM 0 HA THR A 40 4.726 -10.577 0.209 1.00 0.00 H new ATOM 0 HB THR A 40 5.690 -8.337 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.525 -7.601 -2.042 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.122 -8.915 -3.004 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.513 -10.361 -2.043 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.817 -9.973 -2.418 1.00 0.00 H new ATOM 544 N LYS A 41 3.653 -8.405 2.299 1.00 0.00 N ATOM 545 CA LYS A 41 3.903 -7.731 3.568 1.00 0.00 C ATOM 546 C LYS A 41 2.772 -7.996 4.557 1.00 0.00 C ATOM 547 O LYS A 41 1.856 -8.770 4.276 1.00 0.00 O ATOM 548 CB LYS A 41 4.059 -6.225 3.347 1.00 0.00 C ATOM 549 CG LYS A 41 4.764 -5.870 2.049 1.00 0.00 C ATOM 550 CD LYS A 41 5.492 -4.541 2.155 1.00 0.00 C ATOM 551 CE LYS A 41 6.916 -4.725 2.656 1.00 0.00 C ATOM 552 NZ LYS A 41 6.994 -4.662 4.142 1.00 0.00 N ATOM 0 H LYS A 41 2.671 -8.437 2.025 1.00 0.00 H new ATOM 0 HA LYS A 41 4.828 -8.128 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.073 -5.761 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.617 -5.800 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.475 -6.656 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.036 -5.823 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.508 -4.055 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.949 -3.881 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.300 -5.685 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.555 -3.954 2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.967 -4.435 4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.349 -3.925 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.720 -5.582 4.543 1.00 0.00 H new ATOM 566 N THR A 42 2.840 -7.348 5.715 1.00 0.00 N ATOM 567 CA THR A 42 1.822 -7.513 6.745 1.00 0.00 C ATOM 568 C THR A 42 0.706 -6.486 6.585 1.00 0.00 C ATOM 569 O THR A 42 0.965 -5.298 6.390 1.00 0.00 O ATOM 570 CB THR A 42 2.425 -7.384 8.157 1.00 0.00 C ATOM 571 OG1 THR A 42 3.043 -6.101 8.310 1.00 0.00 O ATOM 572 CG2 THR A 42 3.448 -8.480 8.410 1.00 0.00 C ATOM 0 H THR A 42 3.590 -6.703 5.964 1.00 0.00 H new ATOM 0 HA THR A 42 1.410 -8.515 6.624 1.00 0.00 H new ATOM 0 HB THR A 42 1.619 -7.487 8.884 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.422 -6.026 9.210 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.860 -8.369 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.967 -9.454 8.322 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.251 -8.404 7.677 1.00 0.00 H new ATOM 580 N LYS A 43 -0.535 -6.951 6.669 1.00 0.00 N ATOM 581 CA LYS A 43 -1.692 -6.073 6.536 1.00 0.00 C ATOM 582 C LYS A 43 -1.472 -4.765 7.289 1.00 0.00 C ATOM 583 O LYS A 43 -1.963 -3.714 6.879 1.00 0.00 O ATOM 584 CB LYS A 43 -2.950 -6.770 7.060 1.00 0.00 C ATOM 585 CG LYS A 43 -3.154 -6.612 8.557 1.00 0.00 C ATOM 586 CD LYS A 43 -4.421 -7.309 9.023 1.00 0.00 C ATOM 587 CE LYS A 43 -4.169 -8.777 9.330 1.00 0.00 C ATOM 588 NZ LYS A 43 -3.904 -9.564 8.094 1.00 0.00 N ATOM 0 H LYS A 43 -0.766 -7.932 6.829 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.824 -5.845 5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.820 -6.371 6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.894 -7.832 6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.295 -7.023 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.207 -5.553 8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.805 -6.811 9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.188 -7.224 8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.319 -8.866 10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.033 -9.193 9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.231 -10.542 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.413 -9.136 7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.883 -9.564 7.895 1.00 0.00 H new ATOM 602 N GLU A 44 -0.730 -4.838 8.389 1.00 0.00 N ATOM 603 CA GLU A 44 -0.445 -3.659 9.197 1.00 0.00 C ATOM 604 C GLU A 44 0.437 -2.675 8.433 1.00 0.00 C ATOM 605 O GLU A 44 0.239 -1.463 8.507 1.00 0.00 O ATOM 606 CB GLU A 44 0.238 -4.062 10.506 1.00 0.00 C ATOM 607 CG GLU A 44 -0.684 -4.781 11.477 1.00 0.00 C ATOM 608 CD GLU A 44 -0.152 -4.778 12.897 1.00 0.00 C ATOM 609 OE1 GLU A 44 0.305 -3.710 13.356 1.00 0.00 O ATOM 610 OE2 GLU A 44 -0.192 -5.842 13.549 1.00 0.00 O ATOM 0 H GLU A 44 -0.316 -5.701 8.741 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.392 -3.170 9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.087 -4.707 10.279 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.635 -3.169 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.665 -4.307 11.460 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.822 -5.811 11.147 1.00 0.00 H new ATOM 617 N GLU A 45 1.410 -3.208 7.701 1.00 0.00 N ATOM 618 CA GLU A 45 2.322 -2.377 6.924 1.00 0.00 C ATOM 619 C GLU A 45 1.619 -1.791 5.703 1.00 0.00 C ATOM 620 O GLU A 45 1.810 -0.622 5.366 1.00 0.00 O ATOM 621 CB GLU A 45 3.539 -3.193 6.482 1.00 0.00 C ATOM 622 CG GLU A 45 4.551 -3.425 7.591 1.00 0.00 C ATOM 623 CD GLU A 45 5.487 -2.247 7.784 1.00 0.00 C ATOM 624 OE1 GLU A 45 4.994 -1.143 8.096 1.00 0.00 O ATOM 625 OE2 GLU A 45 6.711 -2.430 7.622 1.00 0.00 O ATOM 0 H GLU A 45 1.587 -4.210 7.630 1.00 0.00 H new ATOM 0 HA GLU A 45 2.654 -1.556 7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.201 -4.157 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.030 -2.679 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.023 -3.621 8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.136 -4.316 7.363 1.00 0.00 H new ATOM 632 N CYS A 46 0.807 -2.611 5.045 1.00 0.00 N ATOM 633 CA CYS A 46 0.076 -2.175 3.860 1.00 0.00 C ATOM 634 C CYS A 46 -0.697 -0.891 4.141 1.00 0.00 C ATOM 635 O CYS A 46 -0.909 -0.074 3.245 1.00 0.00 O ATOM 636 CB CYS A 46 -0.883 -3.271 3.395 1.00 0.00 C ATOM 637 SG CYS A 46 -0.085 -4.861 3.070 1.00 0.00 S ATOM 0 H CYS A 46 0.638 -3.581 5.312 1.00 0.00 H new ATOM 0 HA CYS A 46 0.799 -1.977 3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.653 -3.411 4.154 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.387 -2.937 2.488 1.00 0.00 H new ATOM 0 HG CYS A 46 0.437 -5.317 4.170 1.00 0.00 H new ATOM 643 N GLU A 47 -1.118 -0.720 5.391 1.00 0.00 N ATOM 644 CA GLU A 47 -1.871 0.464 5.788 1.00 0.00 C ATOM 645 C GLU A 47 -0.957 1.682 5.887 1.00 0.00 C ATOM 646 O GLU A 47 -1.096 2.640 5.126 1.00 0.00 O ATOM 647 CB GLU A 47 -2.568 0.226 7.129 1.00 0.00 C ATOM 648 CG GLU A 47 -3.021 1.504 7.815 1.00 0.00 C ATOM 649 CD GLU A 47 -3.435 1.277 9.256 1.00 0.00 C ATOM 650 OE1 GLU A 47 -2.540 1.158 10.119 1.00 0.00 O ATOM 651 OE2 GLU A 47 -4.654 1.218 9.521 1.00 0.00 O ATOM 0 H GLU A 47 -0.950 -1.386 6.145 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.624 0.657 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.433 -0.417 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.889 -0.311 7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.213 2.235 7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.858 1.931 7.263 1.00 0.00 H new ATOM 658 N LYS A 48 -0.022 1.637 6.829 1.00 0.00 N ATOM 659 CA LYS A 48 0.917 2.735 7.029 1.00 0.00 C ATOM 660 C LYS A 48 1.493 3.208 5.698 1.00 0.00 C ATOM 661 O LYS A 48 1.510 4.404 5.407 1.00 0.00 O ATOM 662 CB LYS A 48 2.050 2.302 7.962 1.00 0.00 C ATOM 663 CG LYS A 48 2.627 3.439 8.787 1.00 0.00 C ATOM 664 CD LYS A 48 3.604 2.929 9.833 1.00 0.00 C ATOM 665 CE LYS A 48 5.001 2.760 9.255 1.00 0.00 C ATOM 666 NZ LYS A 48 5.757 1.675 9.940 1.00 0.00 N ATOM 0 H LYS A 48 0.106 0.851 7.467 1.00 0.00 H new ATOM 0 HA LYS A 48 0.376 3.564 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.680 1.528 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.847 1.854 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.133 4.146 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.818 3.981 9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.638 3.625 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.253 1.974 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.929 2.536 8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.548 3.698 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.704 1.591 9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.848 1.900 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.248 0.775 9.830 1.00 0.00 H new ATOM 680 N HIS A 49 1.962 2.260 4.891 1.00 0.00 N ATOM 681 CA HIS A 49 2.536 2.580 3.590 1.00 0.00 C ATOM 682 C HIS A 49 1.544 3.362 2.735 1.00 0.00 C ATOM 683 O HIS A 49 1.921 4.293 2.023 1.00 0.00 O ATOM 684 CB HIS A 49 2.955 1.301 2.865 1.00 0.00 C ATOM 685 CG HIS A 49 3.640 1.550 1.557 1.00 0.00 C ATOM 686 ND1 HIS A 49 4.981 1.855 1.456 1.00 0.00 N ATOM 687 CD2 HIS A 49 3.162 1.536 0.290 1.00 0.00 C ATOM 688 CE1 HIS A 49 5.298 2.019 0.184 1.00 0.00 C ATOM 689 NE2 HIS A 49 4.212 1.831 -0.544 1.00 0.00 N ATOM 0 H HIS A 49 1.955 1.265 5.116 1.00 0.00 H new ATOM 0 HA HIS A 49 3.417 3.201 3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.621 0.729 3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.072 0.686 2.692 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.627 1.941 2.241 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.145 1.331 -0.009 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.279 2.265 -0.196 1.00 0.00 H new ATOM 698 N TYR A 50 0.275 2.976 2.809 1.00 0.00 N ATOM 699 CA TYR A 50 -0.772 3.639 2.039 1.00 0.00 C ATOM 700 C TYR A 50 -1.002 5.060 2.544 1.00 0.00 C ATOM 701 O TYR A 50 -0.825 6.029 1.807 1.00 0.00 O ATOM 702 CB TYR A 50 -2.074 2.840 2.117 1.00 0.00 C ATOM 703 CG TYR A 50 -3.179 3.399 1.249 1.00 0.00 C ATOM 704 CD1 TYR A 50 -3.937 4.485 1.670 1.00 0.00 C ATOM 705 CD2 TYR A 50 -3.467 2.840 0.010 1.00 0.00 C ATOM 706 CE1 TYR A 50 -4.948 4.999 0.881 1.00 0.00 C ATOM 707 CE2 TYR A 50 -4.475 3.347 -0.786 1.00 0.00 C ATOM 708 CZ TYR A 50 -5.213 4.427 -0.346 1.00 0.00 C ATOM 709 OH TYR A 50 -6.219 4.934 -1.135 1.00 0.00 O ATOM 0 H TYR A 50 -0.054 2.208 3.394 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.447 3.691 1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.877 1.810 1.821 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.414 2.815 3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.732 4.935 2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.892 1.994 -0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.528 5.844 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.685 2.901 -1.747 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.274 4.418 -1.966 1.00 0.00 H new ATOM 719 N MET A 51 -1.399 5.175 3.807 1.00 0.00 N ATOM 720 CA MET A 51 -1.652 6.477 4.413 1.00 0.00 C ATOM 721 C MET A 51 -0.371 7.300 4.489 1.00 0.00 C ATOM 722 O MET A 51 -0.406 8.499 4.767 1.00 0.00 O ATOM 723 CB MET A 51 -2.246 6.306 5.813 1.00 0.00 C ATOM 724 CG MET A 51 -3.668 5.769 5.808 1.00 0.00 C ATOM 725 SD MET A 51 -4.633 6.348 7.217 1.00 0.00 S ATOM 726 CE MET A 51 -5.536 7.704 6.474 1.00 0.00 C ATOM 0 H MET A 51 -1.552 4.383 4.431 1.00 0.00 H new ATOM 0 HA MET A 51 -2.367 7.008 3.785 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.613 5.630 6.387 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.231 7.268 6.325 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.163 6.070 4.885 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.641 4.679 5.814 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.977 8.630 6.609 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.669 7.512 5.409 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.512 7.796 6.951 1.00 0.00 H new ATOM 736 N LYS A 52 0.761 6.650 4.239 1.00 0.00 N ATOM 737 CA LYS A 52 2.055 7.321 4.278 1.00 0.00 C ATOM 738 C LYS A 52 2.197 8.294 3.112 1.00 0.00 C ATOM 739 O LYS A 52 2.481 9.476 3.309 1.00 0.00 O ATOM 740 CB LYS A 52 3.187 6.292 4.239 1.00 0.00 C ATOM 741 CG LYS A 52 4.555 6.903 3.987 1.00 0.00 C ATOM 742 CD LYS A 52 5.141 7.500 5.256 1.00 0.00 C ATOM 743 CE LYS A 52 4.751 8.962 5.416 1.00 0.00 C ATOM 744 NZ LYS A 52 4.850 9.410 6.832 1.00 0.00 N ATOM 0 H LYS A 52 0.808 5.658 4.007 1.00 0.00 H new ATOM 0 HA LYS A 52 2.117 7.885 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.208 5.751 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.975 5.561 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.229 6.140 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.474 7.677 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.794 6.933 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.227 7.413 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.397 9.581 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.731 9.107 5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.576 10.411 6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.214 8.837 7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.829 9.296 7.165 1.00 0.00 H new ATOM 758 N TYR A 53 1.998 7.791 1.899 1.00 0.00 N ATOM 759 CA TYR A 53 2.106 8.617 0.702 1.00 0.00 C ATOM 760 C TYR A 53 0.727 9.035 0.203 1.00 0.00 C ATOM 761 O TYR A 53 0.384 10.218 0.209 1.00 0.00 O ATOM 762 CB TYR A 53 2.851 7.860 -0.399 1.00 0.00 C ATOM 763 CG TYR A 53 4.276 7.509 -0.035 1.00 0.00 C ATOM 764 CD1 TYR A 53 4.552 6.476 0.853 1.00 0.00 C ATOM 765 CD2 TYR A 53 5.345 8.209 -0.578 1.00 0.00 C ATOM 766 CE1 TYR A 53 5.852 6.152 1.189 1.00 0.00 C ATOM 767 CE2 TYR A 53 6.649 7.891 -0.249 1.00 0.00 C ATOM 768 CZ TYR A 53 6.897 6.862 0.635 1.00 0.00 C ATOM 769 OH TYR A 53 8.194 6.542 0.967 1.00 0.00 O ATOM 0 H TYR A 53 1.761 6.815 1.718 1.00 0.00 H new ATOM 0 HA TYR A 53 2.667 9.515 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.308 6.944 -0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.855 8.465 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.736 5.917 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.154 9.016 -1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.049 5.347 1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.469 8.445 -0.682 1.00 0.00 H new ATOM 0 HH TYR A 53 8.413 5.655 0.613 1.00 0.00 H new ATOM 779 N PHE A 54 -0.062 8.056 -0.227 1.00 0.00 N ATOM 780 CA PHE A 54 -1.405 8.321 -0.730 1.00 0.00 C ATOM 781 C PHE A 54 -2.119 9.351 0.142 1.00 0.00 C ATOM 782 O PHE A 54 -2.597 10.372 -0.351 1.00 0.00 O ATOM 783 CB PHE A 54 -2.219 7.027 -0.779 1.00 0.00 C ATOM 784 CG PHE A 54 -1.682 6.018 -1.755 1.00 0.00 C ATOM 785 CD1 PHE A 54 -1.379 6.386 -3.056 1.00 0.00 C ATOM 786 CD2 PHE A 54 -1.480 4.702 -1.371 1.00 0.00 C ATOM 787 CE1 PHE A 54 -0.886 5.460 -3.956 1.00 0.00 C ATOM 788 CE2 PHE A 54 -0.987 3.772 -2.266 1.00 0.00 C ATOM 789 CZ PHE A 54 -0.689 4.152 -3.560 1.00 0.00 C ATOM 0 H PHE A 54 0.205 7.072 -0.237 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.315 8.724 -1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.240 6.583 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.249 7.265 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.530 7.408 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.711 4.400 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.655 5.759 -4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.835 2.749 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.302 3.427 -4.261 1.00 0.00 H new ATOM 799 N SER A 55 -2.187 9.073 1.440 1.00 0.00 N ATOM 800 CA SER A 55 -2.845 9.972 2.380 1.00 0.00 C ATOM 801 C SER A 55 -1.902 11.088 2.817 1.00 0.00 C ATOM 802 O SER A 55 -1.797 11.400 4.002 1.00 0.00 O ATOM 803 CB SER A 55 -3.335 9.195 3.604 1.00 0.00 C ATOM 804 OG SER A 55 -4.251 9.964 4.363 1.00 0.00 O ATOM 0 H SER A 55 -1.795 8.233 1.864 1.00 0.00 H new ATOM 0 HA SER A 55 -3.701 10.420 1.876 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.811 8.268 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.485 8.918 4.227 1.00 0.00 H new ATOM 0 HG SER A 55 -3.824 10.801 4.641 1.00 0.00 H new ATOM 810 N GLY A 56 -1.216 11.688 1.848 1.00 0.00 N ATOM 811 CA GLY A 56 -0.289 12.763 2.151 1.00 0.00 C ATOM 812 C GLY A 56 0.692 12.391 3.245 1.00 0.00 C ATOM 813 O GLY A 56 0.696 11.268 3.749 1.00 0.00 O ATOM 0 H GLY A 56 -1.286 11.449 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.261 13.029 1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.849 13.647 2.455 1.00 0.00 H new ATOM 817 N PRO A 57 1.550 13.349 3.626 1.00 0.00 N ATOM 818 CA PRO A 57 2.557 13.140 4.670 1.00 0.00 C ATOM 819 C PRO A 57 1.937 13.007 6.057 1.00 0.00 C ATOM 820 O PRO A 57 2.586 12.549 6.997 1.00 0.00 O ATOM 821 CB PRO A 57 3.420 14.402 4.589 1.00 0.00 C ATOM 822 CG PRO A 57 2.520 15.439 4.010 1.00 0.00 C ATOM 823 CD PRO A 57 1.602 14.711 3.068 1.00 0.00 C ATOM 0 HA PRO A 57 3.114 12.215 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.783 14.697 5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.296 14.243 3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.955 15.946 4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.093 16.203 3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.614 15.170 3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.988 14.713 2.049 1.00 0.00 H new ATOM 831 N SER A 58 0.676 13.410 6.176 1.00 0.00 N ATOM 832 CA SER A 58 -0.032 13.339 7.449 1.00 0.00 C ATOM 833 C SER A 58 -0.407 11.898 7.783 1.00 0.00 C ATOM 834 O SER A 58 -1.263 11.301 7.129 1.00 0.00 O ATOM 835 CB SER A 58 -1.290 14.209 7.407 1.00 0.00 C ATOM 836 OG SER A 58 -1.849 14.361 8.700 1.00 0.00 O ATOM 0 H SER A 58 0.124 13.789 5.407 1.00 0.00 H new ATOM 0 HA SER A 58 0.633 13.713 8.227 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.045 15.188 6.996 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.025 13.758 6.740 1.00 0.00 H new ATOM 0 HG SER A 58 -2.650 14.922 8.646 1.00 0.00 H new ATOM 842 N SER A 59 0.239 11.346 8.804 1.00 0.00 N ATOM 843 CA SER A 59 -0.023 9.974 9.223 1.00 0.00 C ATOM 844 C SER A 59 -0.639 9.941 10.619 1.00 0.00 C ATOM 845 O SER A 59 -0.234 10.690 11.507 1.00 0.00 O ATOM 846 CB SER A 59 1.271 9.157 9.205 1.00 0.00 C ATOM 847 OG SER A 59 0.996 7.769 9.129 1.00 0.00 O ATOM 0 H SER A 59 0.948 11.828 9.357 1.00 0.00 H new ATOM 0 HA SER A 59 -0.732 9.535 8.521 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.883 9.457 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.850 9.368 10.104 1.00 0.00 H new ATOM 0 HG SER A 59 1.839 7.269 9.117 1.00 0.00 H new ATOM 853 N GLY A 60 -1.622 9.065 10.804 1.00 0.00 N ATOM 854 CA GLY A 60 -2.279 8.949 12.092 1.00 0.00 C ATOM 855 C GLY A 60 -2.609 10.298 12.699 1.00 0.00 C ATOM 856 O GLY A 60 -2.768 11.286 11.981 1.00 0.00 O ATOM 0 H GLY A 60 -1.975 8.434 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.196 8.372 11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.636 8.394 12.775 1.00 0.00 H new TER 860 GLY A 60