USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 528 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 NoAdj-H: A 54 HIS HE2 : A 54 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 56 LYS NZ :NH3+ -160:sc= -0.0356 (180deg=-0.297) USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 15 HIS : no HE2:sc= -6.18! C(o=-6.2!,f=-11!) USER MOD Set 2.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0634 (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 -55:sc= 0.178 USER MOD Single : A 6 SER OG : rot -54:sc= 0.923 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HE2:sc= -2.15 K(o=-2.1,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc= -2.68! K(o=-2.7!,f=-1.9) USER MOD Single : A 27 GLN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot -111:sc= 0.134 USER MOD Single : A 45 ASN : amide:sc= -0.0865 X(o=-0.087,f=-0.087) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 162:sc= -0.0264 (180deg=-0.493) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=-0.18) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -55:sc= 0.0362 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.080 -12.798 16.517 1.00 0.00 N ATOM 2 CA GLY A 1 5.798 -13.873 15.858 1.00 0.00 C ATOM 3 C GLY A 1 6.637 -13.382 14.694 1.00 0.00 C ATOM 4 O GLY A 1 6.886 -12.184 14.562 1.00 0.00 O ATOM 0 H1 GLY A 1 5.322 -12.788 17.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.346 -11.889 16.088 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.056 -12.946 16.407 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.443 -14.372 16.581 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.085 -14.616 15.500 1.00 0.00 H new ATOM 8 N SER A 2 7.075 -14.310 13.850 1.00 0.00 N ATOM 9 CA SER A 2 7.896 -13.966 12.695 1.00 0.00 C ATOM 10 C SER A 2 7.027 -13.713 11.467 1.00 0.00 C ATOM 11 O SER A 2 7.352 -14.148 10.362 1.00 0.00 O ATOM 12 CB SER A 2 8.898 -15.085 12.403 1.00 0.00 C ATOM 13 OG SER A 2 9.658 -15.402 13.556 1.00 0.00 O ATOM 0 H SER A 2 6.875 -15.306 13.944 1.00 0.00 H new ATOM 0 HA SER A 2 8.441 -13.051 12.928 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.367 -15.972 12.058 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.565 -14.779 11.597 1.00 0.00 H new ATOM 0 HG SER A 2 10.290 -16.121 13.344 1.00 0.00 H new ATOM 19 N SER A 3 5.919 -13.007 11.669 1.00 0.00 N ATOM 20 CA SER A 3 5.000 -12.698 10.580 1.00 0.00 C ATOM 21 C SER A 3 5.749 -12.114 9.386 1.00 0.00 C ATOM 22 O SER A 3 5.507 -12.493 8.241 1.00 0.00 O ATOM 23 CB SER A 3 3.926 -11.717 11.053 1.00 0.00 C ATOM 24 OG SER A 3 2.814 -12.403 11.601 1.00 0.00 O ATOM 0 H SER A 3 5.636 -12.638 12.577 1.00 0.00 H new ATOM 0 HA SER A 3 4.521 -13.626 10.267 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.347 -11.045 11.801 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.600 -11.099 10.216 1.00 0.00 H new ATOM 0 HG SER A 3 2.143 -11.754 11.897 1.00 0.00 H new ATOM 30 N GLY A 4 6.660 -11.186 9.664 1.00 0.00 N ATOM 31 CA GLY A 4 7.431 -10.563 8.604 1.00 0.00 C ATOM 32 C GLY A 4 8.925 -10.665 8.836 1.00 0.00 C ATOM 33 O GLY A 4 9.398 -11.603 9.479 1.00 0.00 O ATOM 0 H GLY A 4 6.878 -10.855 10.604 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.181 -11.033 7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.150 -9.513 8.524 1.00 0.00 H new ATOM 37 N SER A 5 9.672 -9.699 8.312 1.00 0.00 N ATOM 38 CA SER A 5 11.122 -9.686 8.461 1.00 0.00 C ATOM 39 C SER A 5 11.568 -8.521 9.339 1.00 0.00 C ATOM 40 O SER A 5 12.562 -7.856 9.049 1.00 0.00 O ATOM 41 CB SER A 5 11.797 -9.595 7.091 1.00 0.00 C ATOM 42 OG SER A 5 13.176 -9.908 7.179 1.00 0.00 O ATOM 0 H SER A 5 9.296 -8.914 7.780 1.00 0.00 H new ATOM 0 HA SER A 5 11.421 -10.617 8.943 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.310 -10.279 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.674 -8.590 6.688 1.00 0.00 H new ATOM 0 HG SER A 5 13.600 -9.333 7.850 1.00 0.00 H new ATOM 48 N SER A 6 10.826 -8.281 10.415 1.00 0.00 N ATOM 49 CA SER A 6 11.141 -7.194 11.335 1.00 0.00 C ATOM 50 C SER A 6 11.022 -5.842 10.638 1.00 0.00 C ATOM 51 O SER A 6 11.848 -4.952 10.840 1.00 0.00 O ATOM 52 CB SER A 6 12.553 -7.368 11.898 1.00 0.00 C ATOM 53 OG SER A 6 12.865 -6.336 12.818 1.00 0.00 O ATOM 0 H SER A 6 10.002 -8.825 10.671 1.00 0.00 H new ATOM 0 HA SER A 6 10.424 -7.225 12.155 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.635 -8.336 12.391 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.276 -7.364 11.083 1.00 0.00 H new ATOM 0 HG SER A 6 12.717 -5.465 12.395 1.00 0.00 H new ATOM 59 N GLY A 7 9.987 -5.695 9.817 1.00 0.00 N ATOM 60 CA GLY A 7 9.777 -4.449 9.103 1.00 0.00 C ATOM 61 C GLY A 7 8.317 -4.045 9.057 1.00 0.00 C ATOM 62 O GLY A 7 7.838 -3.536 8.044 1.00 0.00 O ATOM 0 H GLY A 7 9.290 -6.417 9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.355 -3.658 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.155 -4.549 8.086 1.00 0.00 H new ATOM 66 N SER A 8 7.607 -4.275 10.157 1.00 0.00 N ATOM 67 CA SER A 8 6.190 -3.936 10.237 1.00 0.00 C ATOM 68 C SER A 8 6.002 -2.496 10.703 1.00 0.00 C ATOM 69 O SER A 8 5.082 -2.194 11.463 1.00 0.00 O ATOM 70 CB SER A 8 5.469 -4.891 11.189 1.00 0.00 C ATOM 71 OG SER A 8 6.039 -4.845 12.486 1.00 0.00 O ATOM 0 H SER A 8 7.989 -4.694 11.005 1.00 0.00 H new ATOM 0 HA SER A 8 5.760 -4.036 9.240 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.413 -4.627 11.243 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.524 -5.908 10.800 1.00 0.00 H new ATOM 0 HG SER A 8 5.559 -5.463 13.076 1.00 0.00 H new ATOM 77 N GLU A 9 6.880 -1.611 10.242 1.00 0.00 N ATOM 78 CA GLU A 9 6.811 -0.202 10.612 1.00 0.00 C ATOM 79 C GLU A 9 5.841 0.551 9.706 1.00 0.00 C ATOM 80 O GLU A 9 4.983 1.296 10.180 1.00 0.00 O ATOM 81 CB GLU A 9 8.199 0.437 10.536 1.00 0.00 C ATOM 82 CG GLU A 9 8.970 0.375 11.843 1.00 0.00 C ATOM 83 CD GLU A 9 9.823 -0.873 11.959 1.00 0.00 C ATOM 84 OE1 GLU A 9 9.256 -1.985 11.932 1.00 0.00 O ATOM 85 OE2 GLU A 9 11.059 -0.737 12.077 1.00 0.00 O ATOM 0 H GLU A 9 7.647 -1.845 9.612 1.00 0.00 H new ATOM 0 HA GLU A 9 6.446 -0.139 11.637 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.777 -0.062 9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.094 1.479 10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.608 1.255 11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.268 0.410 12.676 1.00 0.00 H new ATOM 92 N ALA A 10 5.985 0.353 8.400 1.00 0.00 N ATOM 93 CA ALA A 10 5.122 1.011 7.428 1.00 0.00 C ATOM 94 C ALA A 10 3.653 0.875 7.816 1.00 0.00 C ATOM 95 O ALA A 10 2.828 1.718 7.463 1.00 0.00 O ATOM 96 CB ALA A 10 5.358 0.438 6.038 1.00 0.00 C ATOM 0 H ALA A 10 6.692 -0.258 7.991 1.00 0.00 H new ATOM 0 HA ALA A 10 5.371 2.072 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.706 0.939 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.398 0.593 5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.139 -0.630 6.043 1.00 0.00 H new ATOM 102 N TRP A 11 3.335 -0.190 8.542 1.00 0.00 N ATOM 103 CA TRP A 11 1.964 -0.436 8.977 1.00 0.00 C ATOM 104 C TRP A 11 1.396 0.780 9.699 1.00 0.00 C ATOM 105 O TRP A 11 0.197 1.050 9.628 1.00 0.00 O ATOM 106 CB TRP A 11 1.910 -1.660 9.893 1.00 0.00 C ATOM 107 CG TRP A 11 1.681 -2.945 9.155 1.00 0.00 C ATOM 108 CD1 TRP A 11 2.543 -4.000 9.059 1.00 0.00 C ATOM 109 CD2 TRP A 11 0.515 -3.308 8.409 1.00 0.00 C ATOM 110 NE1 TRP A 11 1.983 -4.997 8.298 1.00 0.00 N ATOM 111 CE2 TRP A 11 0.738 -4.597 7.888 1.00 0.00 C ATOM 112 CE3 TRP A 11 -0.697 -2.671 8.131 1.00 0.00 C ATOM 113 CZ2 TRP A 11 -0.206 -5.258 7.106 1.00 0.00 C ATOM 114 CZ3 TRP A 11 -1.633 -3.327 7.355 1.00 0.00 C ATOM 115 CH2 TRP A 11 -1.384 -4.610 6.850 1.00 0.00 C ATOM 0 H TRP A 11 4.006 -0.897 8.842 1.00 0.00 H new ATOM 0 HA TRP A 11 1.357 -0.626 8.092 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.845 -1.730 10.449 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.114 -1.523 10.625 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.521 -4.044 9.515 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.422 -5.890 8.074 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.899 -1.682 8.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.015 -6.247 6.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.573 -2.843 7.134 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.136 -5.097 6.247 1.00 0.00 H new ATOM 126 N GLU A 12 2.263 1.510 10.393 1.00 0.00 N ATOM 127 CA GLU A 12 1.845 2.698 11.128 1.00 0.00 C ATOM 128 C GLU A 12 1.166 3.701 10.200 1.00 0.00 C ATOM 129 O GLU A 12 0.475 4.614 10.654 1.00 0.00 O ATOM 130 CB GLU A 12 3.047 3.352 11.812 1.00 0.00 C ATOM 131 CG GLU A 12 3.741 2.448 12.818 1.00 0.00 C ATOM 132 CD GLU A 12 4.690 3.207 13.725 1.00 0.00 C ATOM 133 OE1 GLU A 12 4.366 4.354 14.095 1.00 0.00 O ATOM 134 OE2 GLU A 12 5.757 2.653 14.065 1.00 0.00 O ATOM 0 H GLU A 12 3.259 1.300 10.462 1.00 0.00 H new ATOM 0 HA GLU A 12 1.128 2.389 11.888 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.767 3.655 11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.717 4.259 12.318 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.990 1.942 13.425 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.294 1.674 12.285 1.00 0.00 H new ATOM 141 N TYR A 13 1.367 3.525 8.899 1.00 0.00 N ATOM 142 CA TYR A 13 0.778 4.416 7.907 1.00 0.00 C ATOM 143 C TYR A 13 -0.348 3.719 7.149 1.00 0.00 C ATOM 144 O TYR A 13 -0.744 4.151 6.067 1.00 0.00 O ATOM 145 CB TYR A 13 1.847 4.898 6.925 1.00 0.00 C ATOM 146 CG TYR A 13 3.091 5.433 7.598 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.146 4.590 7.924 1.00 0.00 C ATOM 148 CD2 TYR A 13 3.211 6.782 7.908 1.00 0.00 C ATOM 149 CE1 TYR A 13 5.283 5.074 8.540 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.346 7.276 8.522 1.00 0.00 C ATOM 151 CZ TYR A 13 5.379 6.418 8.836 1.00 0.00 C ATOM 152 OH TYR A 13 6.511 6.904 9.449 1.00 0.00 O ATOM 0 H TYR A 13 1.934 2.773 8.507 1.00 0.00 H new ATOM 0 HA TYR A 13 0.361 5.276 8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.125 4.072 6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.422 5.678 6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.076 3.538 7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.403 7.456 7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.093 4.404 8.789 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.424 8.328 8.755 1.00 0.00 H new ATOM 0 HH TYR A 13 6.419 7.870 9.586 1.00 0.00 H new ATOM 162 N PHE A 14 -0.859 2.637 7.727 1.00 0.00 N ATOM 163 CA PHE A 14 -1.939 1.878 7.107 1.00 0.00 C ATOM 164 C PHE A 14 -2.783 1.170 8.164 1.00 0.00 C ATOM 165 O PHE A 14 -2.311 0.893 9.267 1.00 0.00 O ATOM 166 CB PHE A 14 -1.371 0.854 6.122 1.00 0.00 C ATOM 167 CG PHE A 14 -0.634 1.475 4.971 1.00 0.00 C ATOM 168 CD1 PHE A 14 -1.304 1.824 3.809 1.00 0.00 C ATOM 169 CD2 PHE A 14 0.729 1.710 5.050 1.00 0.00 C ATOM 170 CE1 PHE A 14 -0.627 2.395 2.748 1.00 0.00 C ATOM 171 CE2 PHE A 14 1.411 2.281 3.992 1.00 0.00 C ATOM 172 CZ PHE A 14 0.732 2.625 2.840 1.00 0.00 C ATOM 0 H PHE A 14 -0.543 2.266 8.623 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.577 2.577 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.697 0.184 6.655 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.187 0.244 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.367 1.648 3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.265 1.444 5.949 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.160 2.661 1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.474 2.458 4.066 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.262 3.073 2.013 1.00 0.00 H new ATOM 182 N HIS A 15 -4.033 0.881 7.818 1.00 0.00 N ATOM 183 CA HIS A 15 -4.944 0.206 8.736 1.00 0.00 C ATOM 184 C HIS A 15 -5.863 -0.751 7.984 1.00 0.00 C ATOM 185 O HIS A 15 -6.506 -0.369 7.004 1.00 0.00 O ATOM 186 CB HIS A 15 -5.776 1.231 9.508 1.00 0.00 C ATOM 187 CG HIS A 15 -7.092 1.540 8.865 1.00 0.00 C ATOM 188 ND1 HIS A 15 -8.079 0.595 8.678 1.00 0.00 N ATOM 189 CD2 HIS A 15 -7.583 2.699 8.365 1.00 0.00 C ATOM 190 CE1 HIS A 15 -9.119 1.159 8.089 1.00 0.00 C ATOM 191 NE2 HIS A 15 -8.844 2.435 7.889 1.00 0.00 N ATOM 0 H HIS A 15 -4.439 1.103 6.909 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.347 -0.372 9.442 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.953 0.858 10.517 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.203 2.153 9.605 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -8.016 -0.386 8.951 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.077 3.653 8.344 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.038 0.661 7.817 1.00 0.00 H new ATOM 199 N LEU A 16 -5.922 -1.994 8.447 1.00 0.00 N ATOM 200 CA LEU A 16 -6.762 -3.007 7.817 1.00 0.00 C ATOM 201 C LEU A 16 -8.240 -2.697 8.032 1.00 0.00 C ATOM 202 O LEU A 16 -8.641 -2.247 9.105 1.00 0.00 O ATOM 203 CB LEU A 16 -6.433 -4.392 8.377 1.00 0.00 C ATOM 204 CG LEU A 16 -5.110 -5.005 7.916 1.00 0.00 C ATOM 205 CD1 LEU A 16 -4.817 -6.282 8.688 1.00 0.00 C ATOM 206 CD2 LEU A 16 -5.142 -5.278 6.420 1.00 0.00 C ATOM 0 H LEU A 16 -5.398 -2.325 9.257 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.559 -2.998 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.422 -4.329 9.465 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.240 -5.073 8.106 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.310 -4.292 8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.872 -6.705 8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.751 -6.057 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.618 -7.001 8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.193 -5.714 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.951 -5.972 6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.305 -4.344 5.883 1.00 0.00 H new ATOM 218 N ALA A 17 -9.046 -2.943 7.004 1.00 0.00 N ATOM 219 CA ALA A 17 -10.481 -2.695 7.082 1.00 0.00 C ATOM 220 C ALA A 17 -11.246 -3.983 7.365 1.00 0.00 C ATOM 221 O ALA A 17 -10.814 -5.081 7.013 1.00 0.00 O ATOM 222 CB ALA A 17 -10.976 -2.057 5.792 1.00 0.00 C ATOM 0 H ALA A 17 -8.730 -3.314 6.108 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.662 -2.007 7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.049 -1.877 5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.459 -1.111 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.775 -2.726 4.955 1.00 0.00 H new ATOM 228 N PRO A 18 -12.411 -3.849 8.017 1.00 0.00 N ATOM 229 CA PRO A 18 -13.261 -4.992 8.362 1.00 0.00 C ATOM 230 C PRO A 18 -13.908 -5.625 7.135 1.00 0.00 C ATOM 231 O PRO A 18 -14.316 -4.926 6.208 1.00 0.00 O ATOM 232 CB PRO A 18 -14.327 -4.379 9.273 1.00 0.00 C ATOM 233 CG PRO A 18 -14.385 -2.945 8.876 1.00 0.00 C ATOM 234 CD PRO A 18 -12.987 -2.571 8.467 1.00 0.00 C ATOM 0 HA PRO A 18 -12.693 -5.796 8.829 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.292 -4.867 9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.060 -4.488 10.324 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.085 -2.796 8.054 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.728 -2.325 9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.987 -1.827 7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.424 -2.147 9.299 1.00 0.00 H new ATOM 242 N ALA A 19 -14.000 -6.950 7.137 1.00 0.00 N ATOM 243 CA ALA A 19 -14.600 -7.676 6.024 1.00 0.00 C ATOM 244 C ALA A 19 -16.123 -7.615 6.087 1.00 0.00 C ATOM 245 O ALA A 19 -16.756 -8.402 6.791 1.00 0.00 O ATOM 246 CB ALA A 19 -14.128 -9.123 6.021 1.00 0.00 C ATOM 0 H ALA A 19 -13.667 -7.543 7.897 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.281 -7.199 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.584 -9.653 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.043 -9.152 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.418 -9.602 6.956 1.00 0.00 H new ATOM 252 N ARG A 20 -16.704 -6.676 5.347 1.00 0.00 N ATOM 253 CA ARG A 20 -18.152 -6.512 5.321 1.00 0.00 C ATOM 254 C ARG A 20 -18.730 -6.998 3.995 1.00 0.00 C ATOM 255 O ARG A 20 -19.749 -7.688 3.967 1.00 0.00 O ATOM 256 CB ARG A 20 -18.524 -5.045 5.545 1.00 0.00 C ATOM 257 CG ARG A 20 -17.950 -4.459 6.824 1.00 0.00 C ATOM 258 CD ARG A 20 -18.593 -3.124 7.164 1.00 0.00 C ATOM 259 NE ARG A 20 -18.535 -2.837 8.595 1.00 0.00 N ATOM 260 CZ ARG A 20 -19.380 -3.349 9.482 1.00 0.00 C ATOM 261 NH1 ARG A 20 -20.342 -4.171 9.088 1.00 0.00 N ATOM 262 NH2 ARG A 20 -19.262 -3.040 10.767 1.00 0.00 N ATOM 0 H ARG A 20 -16.194 -6.018 4.758 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.576 -7.114 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.174 -4.457 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.610 -4.954 5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.104 -5.158 7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.874 -4.328 6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.090 -2.329 6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.633 -3.129 6.837 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.805 -2.209 8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.435 -4.412 8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.990 -4.563 9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.522 -2.409 11.074 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.911 -3.434 11.448 1.00 0.00 H new ATOM 276 N ALA A 21 -18.073 -6.632 2.899 1.00 0.00 N ATOM 277 CA ALA A 21 -18.520 -7.032 1.571 1.00 0.00 C ATOM 278 C ALA A 21 -18.790 -8.532 1.511 1.00 0.00 C ATOM 279 O ALA A 21 -19.868 -8.963 1.105 1.00 0.00 O ATOM 280 CB ALA A 21 -17.488 -6.636 0.525 1.00 0.00 C ATOM 0 H ALA A 21 -17.229 -6.059 2.905 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.454 -6.513 1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -17.835 -6.941 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -17.348 -5.555 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -16.540 -7.128 0.744 1.00 0.00 H new ATOM 286 N GLY A 22 -17.801 -9.323 1.917 1.00 0.00 N ATOM 287 CA GLY A 22 -17.951 -10.766 1.900 1.00 0.00 C ATOM 288 C GLY A 22 -16.650 -11.488 2.188 1.00 0.00 C ATOM 289 O GLY A 22 -16.474 -12.060 3.264 1.00 0.00 O ATOM 0 H GLY A 22 -16.899 -8.990 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.697 -11.059 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.328 -11.077 0.926 1.00 0.00 H new ATOM 293 N HIS A 23 -15.735 -11.463 1.225 1.00 0.00 N ATOM 294 CA HIS A 23 -14.442 -12.121 1.380 1.00 0.00 C ATOM 295 C HIS A 23 -13.819 -11.782 2.731 1.00 0.00 C ATOM 296 O HIS A 23 -13.993 -10.678 3.247 1.00 0.00 O ATOM 297 CB HIS A 23 -13.497 -11.709 0.252 1.00 0.00 C ATOM 298 CG HIS A 23 -13.591 -12.586 -0.959 1.00 0.00 C ATOM 299 ND1 HIS A 23 -14.728 -12.679 -1.734 1.00 0.00 N ATOM 300 CD2 HIS A 23 -12.681 -13.410 -1.528 1.00 0.00 C ATOM 301 CE1 HIS A 23 -14.513 -13.524 -2.726 1.00 0.00 C ATOM 302 NE2 HIS A 23 -13.278 -13.982 -2.624 1.00 0.00 N ATOM 0 H HIS A 23 -15.864 -10.994 0.328 1.00 0.00 H new ATOM 0 HA HIS A 23 -14.603 -13.198 1.333 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -13.715 -10.681 -0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.472 -11.725 0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.672 -13.585 -1.184 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.226 -13.795 -3.491 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -12.840 -14.651 -3.256 1.00 0.00 H new ATOM 310 N HIS A 24 -13.093 -12.740 3.299 1.00 0.00 N ATOM 311 CA HIS A 24 -12.444 -12.543 4.591 1.00 0.00 C ATOM 312 C HIS A 24 -11.661 -11.234 4.611 1.00 0.00 C ATOM 313 O HIS A 24 -11.290 -10.688 3.572 1.00 0.00 O ATOM 314 CB HIS A 24 -11.511 -13.714 4.900 1.00 0.00 C ATOM 315 CG HIS A 24 -10.082 -13.455 4.532 1.00 0.00 C ATOM 316 ND1 HIS A 24 -9.707 -12.872 3.340 1.00 0.00 N ATOM 317 CD2 HIS A 24 -8.935 -13.701 5.207 1.00 0.00 C ATOM 318 CE1 HIS A 24 -8.390 -12.773 3.297 1.00 0.00 C ATOM 319 NE2 HIS A 24 -7.898 -13.268 4.418 1.00 0.00 N ATOM 0 H HIS A 24 -12.939 -13.660 2.886 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.219 -12.494 5.356 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -11.568 -13.942 5.964 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.861 -14.597 4.366 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -10.346 -12.565 2.606 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.851 -14.153 6.184 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.814 -12.358 2.483 1.00 0.00 H new ATOM 327 N PRO A 25 -11.404 -10.716 5.821 1.00 0.00 N ATOM 328 CA PRO A 25 -10.663 -9.464 6.006 1.00 0.00 C ATOM 329 C PRO A 25 -9.188 -9.605 5.644 1.00 0.00 C ATOM 330 O PRO A 25 -8.778 -10.600 5.048 1.00 0.00 O ATOM 331 CB PRO A 25 -10.822 -9.175 7.501 1.00 0.00 C ATOM 332 CG PRO A 25 -11.056 -10.509 8.122 1.00 0.00 C ATOM 333 CD PRO A 25 -11.816 -11.313 7.103 1.00 0.00 C ATOM 0 HA PRO A 25 -11.039 -8.669 5.362 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.930 -8.699 7.909 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.657 -8.500 7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.112 -10.992 8.376 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.624 -10.414 9.047 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.560 -12.371 7.154 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.893 -11.238 7.254 1.00 0.00 H new ATOM 341 N ASN A 26 -8.396 -8.603 6.010 1.00 0.00 N ATOM 342 CA ASN A 26 -6.966 -8.615 5.724 1.00 0.00 C ATOM 343 C ASN A 26 -6.713 -8.717 4.223 1.00 0.00 C ATOM 344 O ASN A 26 -5.820 -9.441 3.782 1.00 0.00 O ATOM 345 CB ASN A 26 -6.290 -9.783 6.447 1.00 0.00 C ATOM 346 CG ASN A 26 -5.788 -9.397 7.825 1.00 0.00 C ATOM 347 OD1 ASN A 26 -4.603 -9.536 8.127 1.00 0.00 O ATOM 348 ND2 ASN A 26 -6.691 -8.909 8.668 1.00 0.00 N ATOM 0 H ASN A 26 -8.720 -7.772 6.505 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.540 -7.678 6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.997 -10.608 6.539 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.455 -10.144 5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.413 -8.632 9.609 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.663 -8.811 8.374 1.00 0.00 H new ATOM 355 N GLN A 27 -7.503 -7.985 3.444 1.00 0.00 N ATOM 356 CA GLN A 27 -7.364 -7.994 1.993 1.00 0.00 C ATOM 357 C GLN A 27 -6.725 -6.699 1.500 1.00 0.00 C ATOM 358 O GLN A 27 -5.835 -6.719 0.650 1.00 0.00 O ATOM 359 CB GLN A 27 -8.729 -8.187 1.330 1.00 0.00 C ATOM 360 CG GLN A 27 -9.807 -7.264 1.875 1.00 0.00 C ATOM 361 CD GLN A 27 -11.138 -7.443 1.172 1.00 0.00 C ATOM 362 OE1 GLN A 27 -12.173 -7.626 1.814 1.00 0.00 O ATOM 363 NE2 GLN A 27 -11.119 -7.391 -0.155 1.00 0.00 N ATOM 0 H GLN A 27 -8.245 -7.379 3.793 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.715 -8.826 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.629 -8.021 0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.046 -9.221 1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.935 -7.451 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.481 -6.229 1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.239 -7.237 -0.647 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.985 -7.505 -0.682 1.00 0.00 H new ATOM 372 N TYR A 28 -7.186 -5.576 2.039 1.00 0.00 N ATOM 373 CA TYR A 28 -6.662 -4.272 1.652 1.00 0.00 C ATOM 374 C TYR A 28 -6.267 -3.457 2.880 1.00 0.00 C ATOM 375 O TYR A 28 -6.853 -3.605 3.952 1.00 0.00 O ATOM 376 CB TYR A 28 -7.699 -3.505 0.829 1.00 0.00 C ATOM 377 CG TYR A 28 -7.745 -3.920 -0.624 1.00 0.00 C ATOM 378 CD1 TYR A 28 -8.379 -5.093 -1.013 1.00 0.00 C ATOM 379 CD2 TYR A 28 -7.155 -3.137 -1.609 1.00 0.00 C ATOM 380 CE1 TYR A 28 -8.423 -5.476 -2.340 1.00 0.00 C ATOM 381 CE2 TYR A 28 -7.195 -3.511 -2.939 1.00 0.00 C ATOM 382 CZ TYR A 28 -7.830 -4.681 -3.299 1.00 0.00 C ATOM 383 OH TYR A 28 -7.873 -5.058 -4.621 1.00 0.00 O ATOM 0 H TYR A 28 -7.921 -5.543 2.745 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.772 -4.433 1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.684 -3.653 1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.480 -2.439 0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.846 -5.717 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.657 -2.220 -1.330 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.919 -6.392 -2.625 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.732 -2.891 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.410 -4.389 -5.167 1.00 0.00 H new ATOM 393 N ALA A 29 -5.270 -2.594 2.714 1.00 0.00 N ATOM 394 CA ALA A 29 -4.797 -1.753 3.807 1.00 0.00 C ATOM 395 C ALA A 29 -5.090 -0.282 3.533 1.00 0.00 C ATOM 396 O ALA A 29 -4.722 0.251 2.485 1.00 0.00 O ATOM 397 CB ALA A 29 -3.307 -1.964 4.029 1.00 0.00 C ATOM 0 H ALA A 29 -4.774 -2.459 1.833 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.332 -2.041 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.968 -1.330 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.121 -3.009 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.763 -1.705 3.120 1.00 0.00 H new ATOM 403 N THR A 30 -5.756 0.371 4.480 1.00 0.00 N ATOM 404 CA THR A 30 -6.099 1.780 4.341 1.00 0.00 C ATOM 405 C THR A 30 -4.975 2.674 4.850 1.00 0.00 C ATOM 406 O THR A 30 -4.690 2.709 6.048 1.00 0.00 O ATOM 407 CB THR A 30 -7.395 2.121 5.101 1.00 0.00 C ATOM 408 OG1 THR A 30 -8.444 1.230 4.706 1.00 0.00 O ATOM 409 CG2 THR A 30 -7.817 3.558 4.835 1.00 0.00 C ATOM 0 H THR A 30 -6.069 -0.055 5.353 1.00 0.00 H new ATOM 0 HA THR A 30 -6.251 1.963 3.277 1.00 0.00 H new ATOM 0 HB THR A 30 -7.204 2.007 6.168 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.264 1.452 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.734 3.775 5.382 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.029 4.235 5.164 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.990 3.695 3.768 1.00 0.00 H new ATOM 417 N CYS A 31 -4.338 3.396 3.934 1.00 0.00 N ATOM 418 CA CYS A 31 -3.243 4.291 4.291 1.00 0.00 C ATOM 419 C CYS A 31 -3.735 5.419 5.194 1.00 0.00 C ATOM 420 O CYS A 31 -4.708 6.102 4.876 1.00 0.00 O ATOM 421 CB CYS A 31 -2.603 4.875 3.030 1.00 0.00 C ATOM 422 SG CYS A 31 -0.966 5.623 3.305 1.00 0.00 S ATOM 0 H CYS A 31 -4.561 3.379 2.939 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.496 3.713 4.835 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.509 4.086 2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.270 5.630 2.613 1.00 0.00 H new ATOM 427 N ARG A 32 -3.054 5.607 6.319 1.00 0.00 N ATOM 428 CA ARG A 32 -3.422 6.651 7.269 1.00 0.00 C ATOM 429 C ARG A 32 -2.801 7.988 6.874 1.00 0.00 C ATOM 430 O ARG A 32 -3.096 9.022 7.474 1.00 0.00 O ATOM 431 CB ARG A 32 -2.975 6.266 8.680 1.00 0.00 C ATOM 432 CG ARG A 32 -3.727 5.076 9.254 1.00 0.00 C ATOM 433 CD ARG A 32 -3.272 4.760 10.671 1.00 0.00 C ATOM 434 NE ARG A 32 -4.018 3.646 11.249 1.00 0.00 N ATOM 435 CZ ARG A 32 -3.542 2.865 12.212 1.00 0.00 C ATOM 436 NH1 ARG A 32 -2.328 3.074 12.702 1.00 0.00 N ATOM 437 NH2 ARG A 32 -4.282 1.871 12.688 1.00 0.00 N ATOM 0 H ARG A 32 -2.245 5.051 6.595 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.507 6.755 7.255 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.909 6.038 8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.109 7.123 9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.797 5.285 9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.571 4.205 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.209 4.520 10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.396 5.643 11.297 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.955 3.457 10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.756 3.837 12.339 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.966 2.472 13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.217 1.707 12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.916 1.272 13.428 1.00 0.00 H new ATOM 451 N LEU A 33 -1.941 7.959 5.862 1.00 0.00 N ATOM 452 CA LEU A 33 -1.279 9.169 5.387 1.00 0.00 C ATOM 453 C LEU A 33 -2.162 9.920 4.395 1.00 0.00 C ATOM 454 O LEU A 33 -2.465 11.098 4.586 1.00 0.00 O ATOM 455 CB LEU A 33 0.058 8.817 4.732 1.00 0.00 C ATOM 456 CG LEU A 33 1.207 8.489 5.686 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.427 8.017 4.909 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.552 9.698 6.542 1.00 0.00 C ATOM 0 H LEU A 33 -1.686 7.112 5.355 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.098 9.816 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.097 7.962 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.363 9.653 4.102 1.00 0.00 H new ATOM 0 HG LEU A 33 0.887 7.682 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.235 7.788 5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.173 7.122 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.749 8.802 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.372 9.446 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.852 10.525 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.680 9.991 7.127 1.00 0.00 H new ATOM 470 N CYS A 34 -2.574 9.230 3.337 1.00 0.00 N ATOM 471 CA CYS A 34 -3.424 9.830 2.316 1.00 0.00 C ATOM 472 C CYS A 34 -4.859 9.325 2.437 1.00 0.00 C ATOM 473 O CYS A 34 -5.810 10.099 2.343 1.00 0.00 O ATOM 474 CB CYS A 34 -2.878 9.519 0.921 1.00 0.00 C ATOM 475 SG CYS A 34 -2.759 7.739 0.549 1.00 0.00 S ATOM 0 H CYS A 34 -2.333 8.254 3.164 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.424 10.910 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.519 9.993 0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.889 9.967 0.821 1.00 0.00 H new ATOM 480 N GLY A 35 -5.006 8.020 2.648 1.00 0.00 N ATOM 481 CA GLY A 35 -6.327 7.434 2.779 1.00 0.00 C ATOM 482 C GLY A 35 -6.687 6.548 1.603 1.00 0.00 C ATOM 483 O GLY A 35 -7.856 6.447 1.229 1.00 0.00 O ATOM 0 H GLY A 35 -4.234 7.359 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.372 6.849 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.067 8.229 2.871 1.00 0.00 H new ATOM 487 N ARG A 36 -5.681 5.907 1.017 1.00 0.00 N ATOM 488 CA ARG A 36 -5.898 5.027 -0.125 1.00 0.00 C ATOM 489 C ARG A 36 -5.666 3.569 0.259 1.00 0.00 C ATOM 490 O ARG A 36 -4.783 3.262 1.060 1.00 0.00 O ATOM 491 CB ARG A 36 -4.971 5.416 -1.278 1.00 0.00 C ATOM 492 CG ARG A 36 -5.555 6.474 -2.200 1.00 0.00 C ATOM 493 CD ARG A 36 -4.978 6.371 -3.603 1.00 0.00 C ATOM 494 NE ARG A 36 -5.068 7.636 -4.326 1.00 0.00 N ATOM 495 CZ ARG A 36 -5.035 7.729 -5.651 1.00 0.00 C ATOM 496 NH1 ARG A 36 -4.916 6.637 -6.393 1.00 0.00 N ATOM 497 NH2 ARG A 36 -5.122 8.917 -6.236 1.00 0.00 N ATOM 0 H ARG A 36 -4.708 5.981 1.314 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.934 5.139 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.030 5.783 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.739 4.526 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.639 6.363 -2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.351 7.465 -1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.935 6.061 -3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.510 5.598 -4.158 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.161 8.495 -3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.849 5.722 -5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.891 6.712 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.214 9.759 -5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.097 8.988 -7.253 1.00 0.00 H new ATOM 511 N GLN A 37 -6.464 2.676 -0.318 1.00 0.00 N ATOM 512 CA GLN A 37 -6.345 1.251 -0.034 1.00 0.00 C ATOM 513 C GLN A 37 -5.239 0.619 -0.873 1.00 0.00 C ATOM 514 O GLN A 37 -5.212 0.766 -2.095 1.00 0.00 O ATOM 515 CB GLN A 37 -7.674 0.543 -0.304 1.00 0.00 C ATOM 516 CG GLN A 37 -8.817 1.043 0.565 1.00 0.00 C ATOM 517 CD GLN A 37 -10.069 0.199 0.425 1.00 0.00 C ATOM 518 OE1 GLN A 37 -10.598 0.030 -0.674 1.00 0.00 O ATOM 519 NE2 GLN A 37 -10.550 -0.337 1.540 1.00 0.00 N ATOM 0 H GLN A 37 -7.199 2.914 -0.984 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.088 1.136 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.941 0.676 -1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.546 -0.527 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.501 1.047 1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.047 2.074 0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.080 -0.171 2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.390 -0.915 1.507 1.00 0.00 H new ATOM 528 N VAL A 38 -4.328 -0.085 -0.209 1.00 0.00 N ATOM 529 CA VAL A 38 -3.220 -0.740 -0.893 1.00 0.00 C ATOM 530 C VAL A 38 -3.160 -2.223 -0.546 1.00 0.00 C ATOM 531 O VAL A 38 -2.716 -2.600 0.539 1.00 0.00 O ATOM 532 CB VAL A 38 -1.873 -0.085 -0.535 1.00 0.00 C ATOM 533 CG1 VAL A 38 -0.726 -0.815 -1.216 1.00 0.00 C ATOM 534 CG2 VAL A 38 -1.880 1.388 -0.917 1.00 0.00 C ATOM 0 H VAL A 38 -4.336 -0.216 0.802 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.397 -0.627 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.728 -0.157 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.217 -0.338 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.711 -1.855 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.861 -0.777 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.921 1.836 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.047 1.485 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.677 1.900 -0.378 1.00 0.00 H new ATOM 544 N SER A 39 -3.608 -3.062 -1.474 1.00 0.00 N ATOM 545 CA SER A 39 -3.608 -4.505 -1.265 1.00 0.00 C ATOM 546 C SER A 39 -2.193 -5.068 -1.360 1.00 0.00 C ATOM 547 O SER A 39 -1.389 -4.620 -2.177 1.00 0.00 O ATOM 548 CB SER A 39 -4.511 -5.190 -2.293 1.00 0.00 C ATOM 549 OG SER A 39 -4.207 -4.759 -3.608 1.00 0.00 O ATOM 0 H SER A 39 -3.976 -2.767 -2.379 1.00 0.00 H new ATOM 0 HA SER A 39 -3.993 -4.702 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.390 -6.271 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.555 -4.971 -2.068 1.00 0.00 H new ATOM 0 HG SER A 39 -4.949 -4.221 -3.956 1.00 0.00 H new ATOM 555 N ARG A 40 -1.897 -6.052 -0.518 1.00 0.00 N ATOM 556 CA ARG A 40 -0.580 -6.676 -0.504 1.00 0.00 C ATOM 557 C ARG A 40 -0.172 -7.116 -1.908 1.00 0.00 C ATOM 558 O ARG A 40 0.836 -6.658 -2.445 1.00 0.00 O ATOM 559 CB ARG A 40 -0.571 -7.878 0.441 1.00 0.00 C ATOM 560 CG ARG A 40 -0.870 -7.518 1.887 1.00 0.00 C ATOM 561 CD ARG A 40 0.330 -6.870 2.560 1.00 0.00 C ATOM 562 NE ARG A 40 1.368 -7.844 2.885 1.00 0.00 N ATOM 563 CZ ARG A 40 1.380 -8.560 4.004 1.00 0.00 C ATOM 564 NH1 ARG A 40 0.414 -8.411 4.900 1.00 0.00 N ATOM 565 NH2 ARG A 40 2.359 -9.427 4.228 1.00 0.00 N ATOM 0 H ARG A 40 -2.552 -6.435 0.164 1.00 0.00 H new ATOM 0 HA ARG A 40 0.140 -5.938 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.306 -8.605 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.404 -8.362 0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.721 -6.838 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.155 -8.416 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.744 -6.105 1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.007 -6.367 3.471 1.00 0.00 H new ATOM 0 HE ARG A 40 2.126 -7.982 2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.340 -7.746 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.425 -8.962 5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.103 -9.544 3.541 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.367 -9.976 5.088 1.00 0.00 H new ATOM 579 N GLY A 41 -0.963 -8.008 -2.496 1.00 0.00 N ATOM 580 CA GLY A 41 -0.668 -8.495 -3.831 1.00 0.00 C ATOM 581 C GLY A 41 -0.613 -10.008 -3.897 1.00 0.00 C ATOM 582 O GLY A 41 -0.828 -10.703 -2.903 1.00 0.00 O ATOM 0 H GLY A 41 -1.803 -8.402 -2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.428 -8.132 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.286 -8.085 -4.161 1.00 0.00 H new ATOM 586 N PRO A 42 -0.321 -10.543 -5.092 1.00 0.00 N ATOM 587 CA PRO A 42 -0.233 -11.989 -5.312 1.00 0.00 C ATOM 588 C PRO A 42 0.983 -12.607 -4.629 1.00 0.00 C ATOM 589 O PRO A 42 0.878 -13.642 -3.972 1.00 0.00 O ATOM 590 CB PRO A 42 -0.110 -12.109 -6.833 1.00 0.00 C ATOM 591 CG PRO A 42 0.479 -10.812 -7.269 1.00 0.00 C ATOM 592 CD PRO A 42 -0.053 -9.775 -6.320 1.00 0.00 C ATOM 0 HA PRO A 42 -1.091 -12.517 -4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.527 -12.947 -7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.082 -12.278 -7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.568 -10.848 -7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.198 -10.582 -8.296 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.672 -8.979 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.957 -9.304 -6.705 1.00 0.00 H new ATOM 600 N GLY A 43 2.136 -11.964 -4.789 1.00 0.00 N ATOM 601 CA GLY A 43 3.354 -12.465 -4.181 1.00 0.00 C ATOM 602 C GLY A 43 4.266 -11.352 -3.706 1.00 0.00 C ATOM 603 O GLY A 43 5.447 -11.315 -4.053 1.00 0.00 O ATOM 0 H GLY A 43 2.248 -11.106 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.098 -13.106 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.888 -13.085 -4.902 1.00 0.00 H new ATOM 607 N VAL A 44 3.717 -10.439 -2.911 1.00 0.00 N ATOM 608 CA VAL A 44 4.489 -9.318 -2.387 1.00 0.00 C ATOM 609 C VAL A 44 5.737 -9.802 -1.658 1.00 0.00 C ATOM 610 O VAL A 44 5.716 -10.835 -0.990 1.00 0.00 O ATOM 611 CB VAL A 44 3.647 -8.457 -1.426 1.00 0.00 C ATOM 612 CG1 VAL A 44 3.261 -9.258 -0.192 1.00 0.00 C ATOM 613 CG2 VAL A 44 4.405 -7.197 -1.038 1.00 0.00 C ATOM 0 H VAL A 44 2.741 -10.453 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 44 4.785 -8.711 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 44 2.732 -8.160 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.667 -8.634 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.677 -10.128 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.162 -9.587 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.796 -6.600 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.337 -7.471 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.626 -6.615 -1.933 1.00 0.00 H new ATOM 623 N ASN A 45 6.823 -9.048 -1.791 1.00 0.00 N ATOM 624 CA ASN A 45 8.082 -9.401 -1.144 1.00 0.00 C ATOM 625 C ASN A 45 8.032 -9.092 0.349 1.00 0.00 C ATOM 626 O ASN A 45 7.785 -7.955 0.751 1.00 0.00 O ATOM 627 CB ASN A 45 9.243 -8.645 -1.794 1.00 0.00 C ATOM 628 CG ASN A 45 9.078 -8.513 -3.296 1.00 0.00 C ATOM 629 OD1 ASN A 45 9.104 -7.409 -3.840 1.00 0.00 O ATOM 630 ND2 ASN A 45 8.906 -9.642 -3.974 1.00 0.00 N ATOM 0 H ASN A 45 6.857 -8.189 -2.340 1.00 0.00 H new ATOM 0 HA ASN A 45 8.239 -10.472 -1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.320 -7.652 -1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.177 -9.164 -1.578 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.789 -9.616 -4.987 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.891 -10.535 -3.482 1.00 0.00 H new ATOM 637 N VAL A 46 8.269 -10.112 1.167 1.00 0.00 N ATOM 638 CA VAL A 46 8.253 -9.950 2.616 1.00 0.00 C ATOM 639 C VAL A 46 9.126 -8.777 3.047 1.00 0.00 C ATOM 640 O VAL A 46 8.688 -7.905 3.796 1.00 0.00 O ATOM 641 CB VAL A 46 8.738 -11.226 3.329 1.00 0.00 C ATOM 642 CG1 VAL A 46 8.742 -11.026 4.837 1.00 0.00 C ATOM 643 CG2 VAL A 46 7.870 -12.414 2.943 1.00 0.00 C ATOM 0 H VAL A 46 8.474 -11.060 0.851 1.00 0.00 H new ATOM 0 HA VAL A 46 7.219 -9.754 2.901 1.00 0.00 H new ATOM 0 HB VAL A 46 9.760 -11.433 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.087 -11.938 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.409 -10.203 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.732 -10.794 5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.227 -13.307 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.837 -12.219 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.923 -12.569 1.865 1.00 0.00 H new ATOM 653 N GLY A 47 10.367 -8.762 2.569 1.00 0.00 N ATOM 654 CA GLY A 47 11.283 -7.691 2.915 1.00 0.00 C ATOM 655 C GLY A 47 10.638 -6.323 2.820 1.00 0.00 C ATOM 656 O GLY A 47 10.357 -5.687 3.837 1.00 0.00 O ATOM 0 H GLY A 47 10.754 -9.473 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.652 -7.846 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.148 -7.728 2.252 1.00 0.00 H new ATOM 660 N THR A 48 10.403 -5.865 1.594 1.00 0.00 N ATOM 661 CA THR A 48 9.790 -4.562 1.369 1.00 0.00 C ATOM 662 C THR A 48 8.269 -4.660 1.383 1.00 0.00 C ATOM 663 O THR A 48 7.636 -4.817 0.337 1.00 0.00 O ATOM 664 CB THR A 48 10.241 -3.952 0.028 1.00 0.00 C ATOM 665 OG1 THR A 48 11.671 -3.951 -0.052 1.00 0.00 O ATOM 666 CG2 THR A 48 9.718 -2.532 -0.124 1.00 0.00 C ATOM 0 H THR A 48 10.628 -6.378 0.741 1.00 0.00 H new ATOM 0 HA THR A 48 10.118 -3.915 2.183 1.00 0.00 H new ATOM 0 HB THR A 48 9.832 -4.560 -0.779 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.950 -3.564 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.049 -2.122 -1.078 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.629 -2.540 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.101 -1.914 0.688 1.00 0.00 H new ATOM 674 N THR A 49 7.685 -4.567 2.573 1.00 0.00 N ATOM 675 CA THR A 49 6.237 -4.646 2.723 1.00 0.00 C ATOM 676 C THR A 49 5.529 -3.791 1.678 1.00 0.00 C ATOM 677 O THR A 49 5.808 -2.600 1.544 1.00 0.00 O ATOM 678 CB THR A 49 5.792 -4.194 4.127 1.00 0.00 C ATOM 679 OG1 THR A 49 6.727 -4.655 5.109 1.00 0.00 O ATOM 680 CG2 THR A 49 4.404 -4.726 4.451 1.00 0.00 C ATOM 0 H THR A 49 8.193 -4.437 3.448 1.00 0.00 H new ATOM 0 HA THR A 49 5.961 -5.691 2.582 1.00 0.00 H new ATOM 0 HB THR A 49 5.759 -3.105 4.141 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.438 -4.362 5.999 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.111 -4.394 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.690 -4.350 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.416 -5.816 4.420 1.00 0.00 H new ATOM 688 N ALA A 50 4.611 -4.407 0.941 1.00 0.00 N ATOM 689 CA ALA A 50 3.860 -3.701 -0.091 1.00 0.00 C ATOM 690 C ALA A 50 3.574 -2.262 0.327 1.00 0.00 C ATOM 691 O ALA A 50 3.584 -1.351 -0.502 1.00 0.00 O ATOM 692 CB ALA A 50 2.561 -4.433 -0.393 1.00 0.00 C ATOM 0 H ALA A 50 4.369 -5.393 1.039 1.00 0.00 H new ATOM 0 HA ALA A 50 4.468 -3.676 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.011 -3.895 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.784 -5.441 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.956 -4.488 0.512 1.00 0.00 H new ATOM 698 N LEU A 51 3.319 -2.065 1.615 1.00 0.00 N ATOM 699 CA LEU A 51 3.029 -0.736 2.142 1.00 0.00 C ATOM 700 C LEU A 51 4.150 0.241 1.804 1.00 0.00 C ATOM 701 O LEU A 51 3.909 1.304 1.232 1.00 0.00 O ATOM 702 CB LEU A 51 2.832 -0.799 3.658 1.00 0.00 C ATOM 703 CG LEU A 51 1.858 -1.863 4.165 1.00 0.00 C ATOM 704 CD1 LEU A 51 1.950 -1.994 5.677 1.00 0.00 C ATOM 705 CD2 LEU A 51 0.435 -1.529 3.742 1.00 0.00 C ATOM 0 H LEU A 51 3.307 -2.808 2.314 1.00 0.00 H new ATOM 0 HA LEU A 51 2.110 -0.380 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.802 -0.972 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.484 0.176 4.000 1.00 0.00 H new ATOM 0 HG LEU A 51 2.132 -2.820 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.250 -2.756 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.964 -2.281 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.703 -1.039 6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.244 -2.297 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.150 -0.562 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.379 -1.488 2.654 1.00 0.00 H new ATOM 717 N TRP A 52 5.376 -0.128 2.159 1.00 0.00 N ATOM 718 CA TRP A 52 6.535 0.716 1.890 1.00 0.00 C ATOM 719 C TRP A 52 6.507 1.240 0.459 1.00 0.00 C ATOM 720 O TRP A 52 6.599 2.445 0.226 1.00 0.00 O ATOM 721 CB TRP A 52 7.827 -0.065 2.136 1.00 0.00 C ATOM 722 CG TRP A 52 8.122 -0.284 3.589 1.00 0.00 C ATOM 723 CD1 TRP A 52 7.964 -1.444 4.292 1.00 0.00 C ATOM 724 CD2 TRP A 52 8.624 0.684 4.517 1.00 0.00 C ATOM 725 NE1 TRP A 52 8.338 -1.256 5.600 1.00 0.00 N ATOM 726 CE2 TRP A 52 8.747 0.041 5.764 1.00 0.00 C ATOM 727 CE3 TRP A 52 8.984 2.031 4.415 1.00 0.00 C ATOM 728 CZ2 TRP A 52 9.213 0.700 6.898 1.00 0.00 C ATOM 729 CZ3 TRP A 52 9.445 2.684 5.541 1.00 0.00 C ATOM 730 CH2 TRP A 52 9.558 2.018 6.770 1.00 0.00 C ATOM 0 H TRP A 52 5.593 -1.005 2.633 1.00 0.00 H new ATOM 0 HA TRP A 52 6.499 1.568 2.569 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.759 -1.032 1.637 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.659 0.471 1.681 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.599 -2.373 3.880 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.315 -1.967 6.331 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.903 2.552 3.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.299 0.189 7.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.723 3.725 5.474 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.924 2.556 7.632 1.00 0.00 H new ATOM 741 N LYS A 53 6.380 0.327 -0.498 1.00 0.00 N ATOM 742 CA LYS A 53 6.339 0.697 -1.908 1.00 0.00 C ATOM 743 C LYS A 53 5.514 1.964 -2.114 1.00 0.00 C ATOM 744 O LYS A 53 5.912 2.861 -2.858 1.00 0.00 O ATOM 745 CB LYS A 53 5.753 -0.446 -2.740 1.00 0.00 C ATOM 746 CG LYS A 53 6.760 -1.533 -3.074 1.00 0.00 C ATOM 747 CD LYS A 53 6.072 -2.812 -3.521 1.00 0.00 C ATOM 748 CE LYS A 53 7.008 -3.694 -4.334 1.00 0.00 C ATOM 749 NZ LYS A 53 6.939 -3.382 -5.788 1.00 0.00 N ATOM 0 H LYS A 53 6.304 -0.675 -0.323 1.00 0.00 H new ATOM 0 HA LYS A 53 7.360 0.891 -2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.919 -0.890 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.349 -0.039 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.427 -1.183 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.379 -1.738 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.720 -3.361 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.194 -2.565 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.031 -3.560 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.751 -4.741 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.591 -4.004 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.969 -3.534 -6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.209 -2.390 -5.943 1.00 0.00 H new ATOM 763 N HIS A 54 4.364 2.031 -1.450 1.00 0.00 N ATOM 764 CA HIS A 54 3.485 3.189 -1.560 1.00 0.00 C ATOM 765 C HIS A 54 4.051 4.376 -0.785 1.00 0.00 C ATOM 766 O HIS A 54 4.001 5.515 -1.251 1.00 0.00 O ATOM 767 CB HIS A 54 2.088 2.846 -1.041 1.00 0.00 C ATOM 768 CG HIS A 54 1.143 4.008 -1.053 1.00 0.00 C ATOM 769 ND1 HIS A 54 0.502 4.445 -2.193 1.00 0.00 N ATOM 770 CD2 HIS A 54 0.730 4.824 -0.055 1.00 0.00 C ATOM 771 CE1 HIS A 54 -0.263 5.480 -1.897 1.00 0.00 C ATOM 772 NE2 HIS A 54 -0.143 5.730 -0.605 1.00 0.00 N ATOM 0 H HIS A 54 4.020 1.297 -0.831 1.00 0.00 H new ATOM 0 HA HIS A 54 3.416 3.464 -2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.671 2.043 -1.648 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.171 2.466 -0.023 1.00 0.00 H new ATOM 0 HD1 HIS A 54 0.603 4.033 -3.121 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.031 4.772 0.981 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.881 6.028 -2.592 1.00 0.00 H new ATOM 780 N LEU A 55 4.588 4.102 0.398 1.00 0.00 N ATOM 781 CA LEU A 55 5.164 5.147 1.238 1.00 0.00 C ATOM 782 C LEU A 55 6.326 5.836 0.530 1.00 0.00 C ATOM 783 O LEU A 55 6.551 7.034 0.704 1.00 0.00 O ATOM 784 CB LEU A 55 5.638 4.557 2.567 1.00 0.00 C ATOM 785 CG LEU A 55 4.548 3.994 3.479 1.00 0.00 C ATOM 786 CD1 LEU A 55 5.157 3.116 4.561 1.00 0.00 C ATOM 787 CD2 LEU A 55 3.737 5.123 4.100 1.00 0.00 C ATOM 0 H LEU A 55 4.637 3.165 0.798 1.00 0.00 H new ATOM 0 HA LEU A 55 4.390 5.890 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.352 3.761 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.177 5.331 3.113 1.00 0.00 H new ATOM 0 HG LEU A 55 3.878 3.380 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.366 2.725 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.693 2.287 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.850 3.706 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.966 4.704 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.395 5.763 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.269 5.712 3.311 1.00 0.00 H new ATOM 799 N LYS A 56 7.061 5.072 -0.271 1.00 0.00 N ATOM 800 CA LYS A 56 8.199 5.608 -1.009 1.00 0.00 C ATOM 801 C LYS A 56 7.775 6.075 -2.398 1.00 0.00 C ATOM 802 O LYS A 56 8.553 6.701 -3.116 1.00 0.00 O ATOM 803 CB LYS A 56 9.299 4.551 -1.128 1.00 0.00 C ATOM 804 CG LYS A 56 9.679 3.916 0.199 1.00 0.00 C ATOM 805 CD LYS A 56 10.135 2.478 0.018 1.00 0.00 C ATOM 806 CE LYS A 56 10.905 1.981 1.233 1.00 0.00 C ATOM 807 NZ LYS A 56 12.225 2.656 1.367 1.00 0.00 N ATOM 0 H LYS A 56 6.889 4.079 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 56 8.586 6.466 -0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.969 3.770 -1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.185 5.008 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.476 4.495 0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.825 3.946 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.268 1.839 -0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.764 2.403 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.315 2.155 2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.054 0.904 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.849 2.082 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.656 2.765 0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.093 3.593 1.798 1.00 0.00 H new ATOM 821 N SER A 57 6.536 5.767 -2.768 1.00 0.00 N ATOM 822 CA SER A 57 6.010 6.153 -4.072 1.00 0.00 C ATOM 823 C SER A 57 5.503 7.592 -4.049 1.00 0.00 C ATOM 824 O SER A 57 5.724 8.355 -4.989 1.00 0.00 O ATOM 825 CB SER A 57 4.881 5.209 -4.490 1.00 0.00 C ATOM 826 OG SER A 57 4.427 5.506 -5.799 1.00 0.00 O ATOM 0 H SER A 57 5.878 5.252 -2.183 1.00 0.00 H new ATOM 0 HA SER A 57 6.820 6.083 -4.798 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.231 4.178 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.053 5.293 -3.786 1.00 0.00 H new ATOM 0 HG SER A 57 3.707 4.888 -6.043 1.00 0.00 H new ATOM 832 N MET A 58 4.822 7.955 -2.967 1.00 0.00 N ATOM 833 CA MET A 58 4.285 9.303 -2.820 1.00 0.00 C ATOM 834 C MET A 58 4.766 9.942 -1.521 1.00 0.00 C ATOM 835 O MET A 58 5.046 11.140 -1.473 1.00 0.00 O ATOM 836 CB MET A 58 2.755 9.271 -2.849 1.00 0.00 C ATOM 837 CG MET A 58 2.139 8.558 -1.657 1.00 0.00 C ATOM 838 SD MET A 58 0.403 8.981 -1.415 1.00 0.00 S ATOM 839 CE MET A 58 -0.212 8.861 -3.093 1.00 0.00 C ATOM 0 H MET A 58 4.629 7.335 -2.180 1.00 0.00 H new ATOM 0 HA MET A 58 4.646 9.904 -3.655 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.379 10.294 -2.884 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.427 8.779 -3.765 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.230 7.481 -1.796 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.700 8.812 -0.757 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.299 8.776 -3.077 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.074 9.753 -3.650 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.214 7.981 -3.574 1.00 0.00 H new ATOM 849 N HIS A 59 4.860 9.134 -0.469 1.00 0.00 N ATOM 850 CA HIS A 59 5.309 9.621 0.831 1.00 0.00 C ATOM 851 C HIS A 59 6.823 9.491 0.967 1.00 0.00 C ATOM 852 O HIS A 59 7.352 9.414 2.076 1.00 0.00 O ATOM 853 CB HIS A 59 4.616 8.850 1.955 1.00 0.00 C ATOM 854 CG HIS A 59 3.121 8.883 1.871 1.00 0.00 C ATOM 855 ND1 HIS A 59 2.384 10.040 2.015 1.00 0.00 N ATOM 856 CD2 HIS A 59 2.224 7.893 1.653 1.00 0.00 C ATOM 857 CE1 HIS A 59 1.099 9.759 1.892 1.00 0.00 C ATOM 858 NE2 HIS A 59 0.975 8.463 1.672 1.00 0.00 N ATOM 0 H HIS A 59 4.631 8.140 -0.491 1.00 0.00 H new ATOM 0 HA HIS A 59 5.045 10.676 0.907 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.950 7.813 1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.927 9.264 2.914 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.771 10.968 2.189 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.449 6.849 1.494 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.288 10.469 1.960 1.00 0.00 H new ATOM 866 N ARG A 60 7.514 9.466 -0.168 1.00 0.00 N ATOM 867 CA ARG A 60 8.967 9.343 -0.175 1.00 0.00 C ATOM 868 C ARG A 60 9.609 10.431 0.681 1.00 0.00 C ATOM 869 O ARG A 60 10.636 10.206 1.320 1.00 0.00 O ATOM 870 CB ARG A 60 9.500 9.426 -1.606 1.00 0.00 C ATOM 871 CG ARG A 60 10.973 9.793 -1.688 1.00 0.00 C ATOM 872 CD ARG A 60 11.846 8.741 -1.022 1.00 0.00 C ATOM 873 NE ARG A 60 13.165 8.652 -1.643 1.00 0.00 N ATOM 874 CZ ARG A 60 13.397 8.023 -2.789 1.00 0.00 C ATOM 875 NH1 ARG A 60 12.403 7.430 -3.437 1.00 0.00 N ATOM 876 NH2 ARG A 60 14.625 7.985 -3.291 1.00 0.00 N ATOM 0 H ARG A 60 7.091 9.529 -1.094 1.00 0.00 H new ATOM 0 HA ARG A 60 9.226 8.372 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.346 8.466 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.919 10.164 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.265 9.901 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.136 10.759 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.959 8.980 0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.352 7.771 -1.079 1.00 0.00 H new ATOM 0 HE ARG A 60 13.951 9.098 -1.170 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.458 7.457 -3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.584 6.948 -4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.393 8.439 -2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.801 7.501 -4.172 1.00 0.00 H new ATOM 890 N GLU A 61 8.995 11.610 0.689 1.00 0.00 N ATOM 891 CA GLU A 61 9.508 12.733 1.466 1.00 0.00 C ATOM 892 C GLU A 61 9.194 12.557 2.949 1.00 0.00 C ATOM 893 O GLU A 61 10.027 12.843 3.808 1.00 0.00 O ATOM 894 CB GLU A 61 8.911 14.047 0.960 1.00 0.00 C ATOM 895 CG GLU A 61 9.119 14.278 -0.528 1.00 0.00 C ATOM 896 CD GLU A 61 7.987 13.719 -1.368 1.00 0.00 C ATOM 897 OE1 GLU A 61 6.820 13.831 -0.940 1.00 0.00 O ATOM 898 OE2 GLU A 61 8.269 13.169 -2.454 1.00 0.00 O ATOM 0 H GLU A 61 8.143 11.812 0.167 1.00 0.00 H new ATOM 0 HA GLU A 61 10.591 12.763 1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.842 14.057 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.355 14.875 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.213 15.348 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.057 13.817 -0.836 1.00 0.00 H new ATOM 905 N GLU A 62 7.986 12.083 3.240 1.00 0.00 N ATOM 906 CA GLU A 62 7.562 11.871 4.619 1.00 0.00 C ATOM 907 C GLU A 62 8.477 10.872 5.321 1.00 0.00 C ATOM 908 O GLU A 62 8.852 11.063 6.479 1.00 0.00 O ATOM 909 CB GLU A 62 6.116 11.371 4.660 1.00 0.00 C ATOM 910 CG GLU A 62 5.683 10.873 6.028 1.00 0.00 C ATOM 911 CD GLU A 62 5.190 11.991 6.927 1.00 0.00 C ATOM 912 OE1 GLU A 62 5.610 13.149 6.718 1.00 0.00 O ATOM 913 OE2 GLU A 62 4.385 11.708 7.838 1.00 0.00 O ATOM 0 H GLU A 62 7.285 11.839 2.540 1.00 0.00 H new ATOM 0 HA GLU A 62 7.624 12.825 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.452 12.178 4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.998 10.565 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.892 10.133 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.521 10.368 6.509 1.00 0.00 H new ATOM 920 N LEU A 63 8.833 9.805 4.614 1.00 0.00 N ATOM 921 CA LEU A 63 9.703 8.774 5.169 1.00 0.00 C ATOM 922 C LEU A 63 11.053 9.360 5.570 1.00 0.00 C ATOM 923 O LEU A 63 11.451 9.286 6.732 1.00 0.00 O ATOM 924 CB LEU A 63 9.905 7.649 4.153 1.00 0.00 C ATOM 925 CG LEU A 63 8.645 6.893 3.729 1.00 0.00 C ATOM 926 CD1 LEU A 63 8.998 5.757 2.781 1.00 0.00 C ATOM 927 CD2 LEU A 63 7.906 6.363 4.949 1.00 0.00 C ATOM 0 H LEU A 63 8.532 9.631 3.655 1.00 0.00 H new ATOM 0 HA LEU A 63 9.224 8.369 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.369 8.071 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.612 6.932 4.571 1.00 0.00 H new ATOM 0 HG LEU A 63 7.988 7.586 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.089 5.230 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.483 6.162 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.675 5.064 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.012 5.828 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.556 5.685 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.620 7.196 5.591 1.00 0.00 H new ATOM 939 N GLU A 64 11.751 9.945 4.602 1.00 0.00 N ATOM 940 CA GLU A 64 13.056 10.544 4.856 1.00 0.00 C ATOM 941 C GLU A 64 13.041 11.350 6.152 1.00 0.00 C ATOM 942 O GLU A 64 13.975 11.280 6.951 1.00 0.00 O ATOM 943 CB GLU A 64 13.464 11.445 3.688 1.00 0.00 C ATOM 944 CG GLU A 64 13.676 10.692 2.385 1.00 0.00 C ATOM 945 CD GLU A 64 14.642 11.399 1.454 1.00 0.00 C ATOM 946 OE1 GLU A 64 15.863 11.177 1.585 1.00 0.00 O ATOM 947 OE2 GLU A 64 14.175 12.174 0.593 1.00 0.00 O ATOM 0 H GLU A 64 11.435 10.017 3.635 1.00 0.00 H new ATOM 0 HA GLU A 64 13.784 9.739 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.695 12.203 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.383 11.970 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.053 9.693 2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.717 10.567 1.882 1.00 0.00 H new ATOM 954 N LYS A 65 11.974 12.116 6.353 1.00 0.00 N ATOM 955 CA LYS A 65 11.834 12.935 7.552 1.00 0.00 C ATOM 956 C LYS A 65 12.000 12.090 8.811 1.00 0.00 C ATOM 957 O LYS A 65 12.755 12.447 9.715 1.00 0.00 O ATOM 958 CB LYS A 65 10.470 13.627 7.565 1.00 0.00 C ATOM 959 CG LYS A 65 10.280 14.576 8.736 1.00 0.00 C ATOM 960 CD LYS A 65 10.787 15.971 8.412 1.00 0.00 C ATOM 961 CE LYS A 65 9.783 16.747 7.573 1.00 0.00 C ATOM 962 NZ LYS A 65 10.374 17.996 7.017 1.00 0.00 N ATOM 0 H LYS A 65 11.193 12.187 5.701 1.00 0.00 H new ATOM 0 HA LYS A 65 12.618 13.692 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.344 14.181 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.688 12.869 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.223 14.624 8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.808 14.190 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.985 16.512 9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.733 15.900 7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.429 16.118 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.915 16.996 8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.659 18.497 6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.689 18.608 7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.187 17.757 6.414 1.00 0.00 H new ATOM 976 N SER A 66 11.290 10.967 8.862 1.00 0.00 N ATOM 977 CA SER A 66 11.357 10.073 10.012 1.00 0.00 C ATOM 978 C SER A 66 12.531 9.108 9.882 1.00 0.00 C ATOM 979 O SER A 66 12.448 7.951 10.292 1.00 0.00 O ATOM 980 CB SER A 66 10.051 9.288 10.151 1.00 0.00 C ATOM 981 OG SER A 66 9.784 8.979 11.508 1.00 0.00 O ATOM 0 H SER A 66 10.662 10.655 8.121 1.00 0.00 H new ATOM 0 HA SER A 66 11.505 10.680 10.905 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.227 9.870 9.738 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.113 8.368 9.570 1.00 0.00 H new ATOM 0 HG SER A 66 8.944 8.479 11.570 1.00 0.00 H new ATOM 987 N GLY A 67 13.627 9.593 9.306 1.00 0.00 N ATOM 988 CA GLY A 67 14.804 8.762 9.131 1.00 0.00 C ATOM 989 C GLY A 67 14.517 7.515 8.318 1.00 0.00 C ATOM 990 O GLY A 67 14.601 7.534 7.089 1.00 0.00 O ATOM 0 H GLY A 67 13.721 10.547 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.584 9.342 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.190 8.474 10.109 1.00 0.00 H new ATOM 994 N HIS A 68 14.180 6.428 9.003 1.00 0.00 N ATOM 995 CA HIS A 68 13.881 5.166 8.336 1.00 0.00 C ATOM 996 C HIS A 68 14.750 4.988 7.095 1.00 0.00 C ATOM 997 O HIS A 68 14.286 4.502 6.065 1.00 0.00 O ATOM 998 CB HIS A 68 12.403 5.106 7.951 1.00 0.00 C ATOM 999 CG HIS A 68 11.493 4.820 9.106 1.00 0.00 C ATOM 1000 ND1 HIS A 68 11.765 3.861 10.059 1.00 0.00 N ATOM 1001 CD2 HIS A 68 10.311 5.375 9.460 1.00 0.00 C ATOM 1002 CE1 HIS A 68 10.789 3.838 10.948 1.00 0.00 C ATOM 1003 NE2 HIS A 68 9.893 4.747 10.608 1.00 0.00 N ATOM 0 H HIS A 68 14.107 6.395 10.020 1.00 0.00 H new ATOM 0 HA HIS A 68 14.101 4.355 9.031 1.00 0.00 H new ATOM 0 HB2 HIS A 68 12.115 6.055 7.499 1.00 0.00 H new ATOM 0 HB3 HIS A 68 12.265 4.336 7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.792 6.165 8.937 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.733 3.186 11.807 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.031 4.950 11.115 1.00 0.00 H new ATOM 1011 N GLY A 69 16.015 5.386 7.202 1.00 0.00 N ATOM 1012 CA GLY A 69 16.928 5.263 6.081 1.00 0.00 C ATOM 1013 C GLY A 69 17.208 3.818 5.717 1.00 0.00 C ATOM 1014 O GLY A 69 17.076 3.428 4.557 1.00 0.00 O ATOM 0 H GLY A 69 16.423 5.791 8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.508 5.777 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.866 5.762 6.324 1.00 0.00 H new ATOM 1018 N GLN A 70 17.597 3.024 6.709 1.00 0.00 N ATOM 1019 CA GLN A 70 17.898 1.615 6.485 1.00 0.00 C ATOM 1020 C GLN A 70 16.709 0.737 6.861 1.00 0.00 C ATOM 1021 O GLN A 70 16.692 0.122 7.927 1.00 0.00 O ATOM 1022 CB GLN A 70 19.129 1.200 7.294 1.00 0.00 C ATOM 1023 CG GLN A 70 20.412 1.874 6.837 1.00 0.00 C ATOM 1024 CD GLN A 70 21.644 1.039 7.124 1.00 0.00 C ATOM 1025 OE1 GLN A 70 22.127 0.993 8.256 1.00 0.00 O ATOM 1026 NE2 GLN A 70 22.161 0.372 6.098 1.00 0.00 N ATOM 0 H GLN A 70 17.711 3.332 7.675 1.00 0.00 H new ATOM 0 HA GLN A 70 18.106 1.478 5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 70 18.959 1.435 8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 70 19.252 0.119 7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 70 20.353 2.071 5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 70 20.508 2.839 7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 70 21.729 0.439 5.177 1.00 0.00 H new ATOM 0 HE22 GLN A 70 22.990 -0.207 6.232 1.00 0.00 H new ATOM 1035 N SER A 71 15.716 0.686 5.979 1.00 0.00 N ATOM 1036 CA SER A 71 14.520 -0.113 6.221 1.00 0.00 C ATOM 1037 C SER A 71 14.622 -1.467 5.525 1.00 0.00 C ATOM 1038 O SER A 71 13.651 -1.958 4.951 1.00 0.00 O ATOM 1039 CB SER A 71 13.276 0.631 5.732 1.00 0.00 C ATOM 1040 OG SER A 71 13.366 0.921 4.347 1.00 0.00 O ATOM 0 H SER A 71 15.716 1.188 5.091 1.00 0.00 H new ATOM 0 HA SER A 71 14.436 -0.280 7.295 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.389 0.027 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.158 1.558 6.294 1.00 0.00 H new ATOM 0 HG SER A 71 12.558 1.395 4.059 1.00 0.00 H new ATOM 1046 N GLY A 72 15.807 -2.067 5.582 1.00 0.00 N ATOM 1047 CA GLY A 72 16.016 -3.359 4.955 1.00 0.00 C ATOM 1048 C GLY A 72 16.852 -3.263 3.694 1.00 0.00 C ATOM 1049 O GLY A 72 17.171 -2.173 3.217 1.00 0.00 O ATOM 0 H GLY A 72 16.626 -1.681 6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.507 -4.028 5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.050 -3.803 4.714 1.00 0.00 H new ATOM 1053 N PRO A 73 17.221 -4.424 3.134 1.00 0.00 N ATOM 1054 CA PRO A 73 18.031 -4.492 1.914 1.00 0.00 C ATOM 1055 C PRO A 73 17.262 -4.030 0.681 1.00 0.00 C ATOM 1056 O PRO A 73 16.142 -4.476 0.433 1.00 0.00 O ATOM 1057 CB PRO A 73 18.378 -5.979 1.802 1.00 0.00 C ATOM 1058 CG PRO A 73 17.285 -6.680 2.531 1.00 0.00 C ATOM 1059 CD PRO A 73 16.877 -5.760 3.649 1.00 0.00 C ATOM 0 HA PRO A 73 18.902 -3.839 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.426 -6.297 0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.350 -6.193 2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 73 16.444 -6.887 1.869 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.628 -7.639 2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 73 15.813 -5.844 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.413 -5.986 4.571 1.00 0.00 H new ATOM 1067 N SER A 74 17.871 -3.135 -0.089 1.00 0.00 N ATOM 1068 CA SER A 74 17.241 -2.610 -1.295 1.00 0.00 C ATOM 1069 C SER A 74 18.220 -2.614 -2.466 1.00 0.00 C ATOM 1070 O SER A 74 19.278 -1.988 -2.406 1.00 0.00 O ATOM 1071 CB SER A 74 16.727 -1.189 -1.051 1.00 0.00 C ATOM 1072 OG SER A 74 15.718 -0.845 -1.984 1.00 0.00 O ATOM 0 H SER A 74 18.800 -2.758 0.100 1.00 0.00 H new ATOM 0 HA SER A 74 16.399 -3.256 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.332 -1.111 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.553 -0.482 -1.127 1.00 0.00 H new ATOM 0 HG SER A 74 15.405 0.066 -1.806 1.00 0.00 H new ATOM 1078 N SER A 75 17.859 -3.326 -3.528 1.00 0.00 N ATOM 1079 CA SER A 75 18.707 -3.417 -4.712 1.00 0.00 C ATOM 1080 C SER A 75 18.520 -2.196 -5.608 1.00 0.00 C ATOM 1081 O SER A 75 18.408 -2.319 -6.827 1.00 0.00 O ATOM 1082 CB SER A 75 18.391 -4.692 -5.495 1.00 0.00 C ATOM 1083 OG SER A 75 19.445 -5.020 -6.383 1.00 0.00 O ATOM 0 H SER A 75 16.985 -3.848 -3.594 1.00 0.00 H new ATOM 0 HA SER A 75 19.746 -3.450 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 75 18.226 -5.517 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.467 -4.558 -6.057 1.00 0.00 H new ATOM 0 HG SER A 75 19.628 -4.257 -6.970 1.00 0.00 H new ATOM 1089 N GLY A 76 18.487 -1.018 -4.994 1.00 0.00 N ATOM 1090 CA GLY A 76 18.313 0.209 -5.750 1.00 0.00 C ATOM 1091 C GLY A 76 17.021 0.223 -6.543 1.00 0.00 C ATOM 1092 O GLY A 76 16.970 0.859 -7.594 1.00 0.00 O ATOM 0 H GLY A 76 18.578 -0.891 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.325 1.058 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 76 19.155 0.335 -6.431 1.00 0.00 H new TER 1096 GLY A 76 HETATM 1097 ZN ZN A 201 -0.721 6.902 1.326 1.00 0.00 ZN