USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 595 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 59 ASN : amide:sc= 1.15 K(o=2.3,f=-3.2!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -152:sc= 1.11 (180deg=0.464) USER MOD Set 2.1: A 17 SER OG : rot 180:sc=-0.00436 USER MOD Set 2.2: A 47 HIS : no HD1:sc= -0.234 K(o=-0.24,f=-1.4) USER MOD Set 3.1: A 12 TYR OH : rot -164:sc= 1.62 USER MOD Set 3.2: A 14 SER OG : rot 180:sc= 1.04 USER MOD Set 3.3: A 48 GLN : amide:sc= 0.505 K(o=3.2,f=2.1) USER MOD Single : A 1 LYS N :NH3+ -113:sc= 0.135 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 148:sc= 1.49 (180deg=0.875) USER MOD Single : A 3 THR OG1 : rot 60:sc= 0.297 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 9 ASN : amide:sc= 1.29 K(o=1.3,f=-0.48) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc=-0.00816 (180deg=-0.0696) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0091) USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0.227 (180deg=0.226) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0.913 (180deg=0.853) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 0.784 (180deg=0.545) USER MOD Single : A 26 TYR OH : rot 170:sc= 1.18 USER MOD Single : A 38 ASN : amide:sc= 2.77 K(o=2.8,f=-11!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.0139 (180deg=-0.155) USER MOD Single : A 66 SER OG : rot -44:sc= 0.176 USER MOD Single : A 74 ASN : amide:sc= 0.176 K(o=0.18,f=-7.3!) USER MOD Single : A 75 MET CE :methyl 173:sc= 0 (180deg=-0.066) USER MOD Single : A 79 TYR OH : rot 30:sc= 1.22 USER MOD Single : A 82 THR OG1 : rot -10:sc= 2.39 USER MOD Single : A 84 ASN : amide:sc= 0.808 K(o=0.81,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.755 13.755 -9.263 1.00 0.00 N ATOM 2 CA LYS A 1 -5.526 13.345 -8.557 1.00 0.00 C ATOM 3 C LYS A 1 -4.292 13.618 -9.420 1.00 0.00 C ATOM 4 O LYS A 1 -4.427 13.866 -10.618 1.00 0.00 O ATOM 5 CB LYS A 1 -5.611 11.868 -8.142 1.00 0.00 C ATOM 6 CG LYS A 1 -5.567 10.888 -9.323 1.00 0.00 C ATOM 7 CD LYS A 1 -5.637 9.447 -8.806 1.00 0.00 C ATOM 8 CE LYS A 1 -5.406 8.453 -9.948 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.345 7.068 -9.448 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.185 14.563 -8.770 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.520 14.029 -10.238 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.427 12.962 -9.279 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.430 13.939 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.787 11.643 -7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.534 11.710 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.399 11.082 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.651 11.035 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.888 9.297 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.610 9.265 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.209 8.543 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.477 8.697 -10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.723 6.421 -10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.357 6.817 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.912 6.987 -8.580 1.00 0.00 H new ATOM 25 N ALA A 2 -3.089 13.545 -8.844 1.00 0.00 N ATOM 26 CA ALA A 2 -1.884 13.604 -9.666 1.00 0.00 C ATOM 27 C ALA A 2 -1.843 12.393 -10.600 1.00 0.00 C ATOM 28 O ALA A 2 -1.919 11.250 -10.147 1.00 0.00 O ATOM 29 CB ALA A 2 -0.620 13.679 -8.806 1.00 0.00 C ATOM 0 H ALA A 2 -2.928 13.448 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.916 14.515 -10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.257 13.722 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.656 14.573 -8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.560 12.796 -8.170 1.00 0.00 H new ATOM 35 N THR A 3 -1.726 12.630 -11.907 1.00 0.00 N ATOM 36 CA THR A 3 -1.702 11.589 -12.921 1.00 0.00 C ATOM 37 C THR A 3 -0.330 10.913 -12.923 1.00 0.00 C ATOM 38 O THR A 3 0.454 11.100 -13.854 1.00 0.00 O ATOM 39 CB THR A 3 -2.022 12.241 -14.273 1.00 0.00 C ATOM 40 OG1 THR A 3 -1.137 13.325 -14.468 1.00 0.00 O ATOM 41 CG2 THR A 3 -3.461 12.764 -14.314 1.00 0.00 C ATOM 0 H THR A 3 -1.644 13.571 -12.292 1.00 0.00 H new ATOM 0 HA THR A 3 -2.444 10.817 -12.717 1.00 0.00 H new ATOM 0 HB THR A 3 -1.907 11.492 -15.057 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.213 12.998 -14.465 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.655 13.220 -15.285 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.153 11.937 -14.156 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.600 13.508 -13.530 1.00 0.00 H new ATOM 49 N MET A 4 -0.035 10.171 -11.856 1.00 0.00 N ATOM 50 CA MET A 4 1.174 9.385 -11.664 1.00 0.00 C ATOM 51 C MET A 4 0.768 8.127 -10.889 1.00 0.00 C ATOM 52 O MET A 4 -0.419 7.813 -10.803 1.00 0.00 O ATOM 53 CB MET A 4 2.212 10.209 -10.879 1.00 0.00 C ATOM 54 CG MET A 4 2.589 11.527 -11.562 1.00 0.00 C ATOM 55 SD MET A 4 3.947 12.406 -10.750 1.00 0.00 S ATOM 56 CE MET A 4 4.080 13.855 -11.816 1.00 0.00 C ATOM 0 H MET A 4 -0.671 10.101 -11.061 1.00 0.00 H new ATOM 0 HA MET A 4 1.629 9.111 -12.616 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.818 10.424 -9.886 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.112 9.609 -10.742 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.867 11.323 -12.596 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.713 12.175 -11.589 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.877 14.503 -11.451 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.307 13.538 -12.834 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.136 14.400 -11.808 1.00 0.00 H new ATOM 66 N GLN A 5 1.734 7.425 -10.291 1.00 0.00 N ATOM 67 CA GLN A 5 1.443 6.355 -9.349 1.00 0.00 C ATOM 68 C GLN A 5 0.785 7.021 -8.137 1.00 0.00 C ATOM 69 O GLN A 5 1.475 7.620 -7.315 1.00 0.00 O ATOM 70 CB GLN A 5 2.735 5.610 -8.976 1.00 0.00 C ATOM 71 CG GLN A 5 3.473 5.042 -10.199 1.00 0.00 C ATOM 72 CD GLN A 5 2.585 4.149 -11.058 1.00 0.00 C ATOM 73 OE1 GLN A 5 2.353 4.435 -12.227 1.00 0.00 O ATOM 74 NE2 GLN A 5 2.073 3.062 -10.488 1.00 0.00 N ATOM 0 H GLN A 5 2.729 7.584 -10.448 1.00 0.00 H new ATOM 0 HA GLN A 5 0.775 5.605 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.398 6.289 -8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.494 4.796 -8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.849 5.865 -10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.339 4.472 -9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.284 2.850 -9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.469 2.440 -11.026 1.00 0.00 H new ATOM 83 N CYS A 6 -0.547 6.983 -8.078 1.00 0.00 N ATOM 84 CA CYS A 6 -1.347 7.745 -7.134 1.00 0.00 C ATOM 85 C CYS A 6 -2.640 6.977 -6.874 1.00 0.00 C ATOM 86 O CYS A 6 -3.133 6.320 -7.788 1.00 0.00 O ATOM 87 CB CYS A 6 -1.648 9.112 -7.765 1.00 0.00 C ATOM 88 SG CYS A 6 -1.662 10.503 -6.634 1.00 0.00 S ATOM 0 H CYS A 6 -1.108 6.405 -8.704 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.824 7.891 -6.189 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.907 9.305 -8.540 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.619 9.058 -8.258 1.00 0.00 H new ATOM 93 N GLY A 7 -3.171 7.018 -5.647 1.00 0.00 N ATOM 94 CA GLY A 7 -4.347 6.246 -5.268 1.00 0.00 C ATOM 95 C GLY A 7 -5.632 7.018 -5.556 1.00 0.00 C ATOM 96 O GLY A 7 -6.065 7.093 -6.702 1.00 0.00 O ATOM 0 H GLY A 7 -2.793 7.590 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.357 5.302 -5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.297 6.000 -4.207 1.00 0.00 H new ATOM 100 N GLU A 8 -6.265 7.558 -4.510 1.00 0.00 N ATOM 101 CA GLU A 8 -7.543 8.248 -4.621 1.00 0.00 C ATOM 102 C GLU A 8 -7.299 9.755 -4.810 1.00 0.00 C ATOM 103 O GLU A 8 -6.499 10.145 -5.656 1.00 0.00 O ATOM 104 CB GLU A 8 -8.385 7.901 -3.386 1.00 0.00 C ATOM 105 CG GLU A 8 -9.875 8.247 -3.573 1.00 0.00 C ATOM 106 CD GLU A 8 -10.488 8.861 -2.318 1.00 0.00 C ATOM 107 OE1 GLU A 8 -9.835 9.776 -1.766 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.601 8.430 -1.951 1.00 0.00 O ATOM 0 H GLU A 8 -5.898 7.526 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.106 7.925 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.286 6.837 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.996 8.439 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.983 8.943 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.425 7.344 -3.839 1.00 0.00 H new ATOM 115 N ASN A 9 -7.968 10.605 -4.020 1.00 0.00 N ATOM 116 CA ASN A 9 -7.839 12.062 -4.033 1.00 0.00 C ATOM 117 C ASN A 9 -6.479 12.455 -3.458 1.00 0.00 C ATOM 118 O ASN A 9 -6.374 12.954 -2.342 1.00 0.00 O ATOM 119 CB ASN A 9 -9.034 12.653 -3.269 1.00 0.00 C ATOM 120 CG ASN A 9 -8.905 14.151 -3.041 1.00 0.00 C ATOM 121 OD1 ASN A 9 -8.429 14.874 -3.911 1.00 0.00 O ATOM 122 ND2 ASN A 9 -9.325 14.622 -1.872 1.00 0.00 N ATOM 0 H ASN A 9 -8.641 10.279 -3.327 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.867 12.468 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.950 12.452 -3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.129 12.150 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.258 15.620 -1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.715 13.986 -1.176 1.00 0.00 H new ATOM 129 N GLU A 10 -5.430 12.178 -4.229 1.00 0.00 N ATOM 130 CA GLU A 10 -4.048 12.265 -3.810 1.00 0.00 C ATOM 131 C GLU A 10 -3.206 13.076 -4.793 1.00 0.00 C ATOM 132 O GLU A 10 -3.588 13.294 -5.945 1.00 0.00 O ATOM 133 CB GLU A 10 -3.489 10.845 -3.718 1.00 0.00 C ATOM 134 CG GLU A 10 -3.890 10.104 -2.447 1.00 0.00 C ATOM 135 CD GLU A 10 -2.939 8.936 -2.222 1.00 0.00 C ATOM 136 OE1 GLU A 10 -2.907 8.052 -3.105 1.00 0.00 O ATOM 137 OE2 GLU A 10 -2.216 8.980 -1.206 1.00 0.00 O ATOM 0 H GLU A 10 -5.532 11.876 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.006 12.771 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.829 10.274 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.401 10.889 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.861 10.781 -1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.915 9.742 -2.532 1.00 0.00 H new ATOM 144 N LYS A 11 -2.018 13.473 -4.333 1.00 0.00 N ATOM 145 CA LYS A 11 -1.039 14.192 -5.119 1.00 0.00 C ATOM 146 C LYS A 11 0.367 13.665 -4.832 1.00 0.00 C ATOM 147 O LYS A 11 0.634 13.134 -3.751 1.00 0.00 O ATOM 148 CB LYS A 11 -1.163 15.694 -4.869 1.00 0.00 C ATOM 149 CG LYS A 11 -0.980 16.057 -3.387 1.00 0.00 C ATOM 150 CD LYS A 11 -1.219 17.551 -3.139 1.00 0.00 C ATOM 151 CE LYS A 11 -0.285 18.470 -3.940 1.00 0.00 C ATOM 152 NZ LYS A 11 1.136 18.129 -3.736 1.00 0.00 N ATOM 0 H LYS A 11 -1.711 13.294 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.231 14.024 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.418 16.222 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.141 16.036 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.671 15.472 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.028 15.791 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.252 17.791 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.093 17.758 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.527 18.397 -5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.455 19.505 -3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.734 18.853 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.341 18.091 -2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.336 17.202 -4.164 1.00 0.00 H new ATOM 166 N TYR A 12 1.241 13.784 -5.834 1.00 0.00 N ATOM 167 CA TYR A 12 2.557 13.173 -5.826 1.00 0.00 C ATOM 168 C TYR A 12 3.420 13.735 -4.702 1.00 0.00 C ATOM 169 O TYR A 12 3.430 14.943 -4.468 1.00 0.00 O ATOM 170 CB TYR A 12 3.212 13.333 -7.201 1.00 0.00 C ATOM 171 CG TYR A 12 4.521 12.581 -7.295 1.00 0.00 C ATOM 172 CD1 TYR A 12 4.514 11.189 -7.502 1.00 0.00 C ATOM 173 CD2 TYR A 12 5.714 13.228 -6.926 1.00 0.00 C ATOM 174 CE1 TYR A 12 5.689 10.444 -7.311 1.00 0.00 C ATOM 175 CE2 TYR A 12 6.874 12.475 -6.692 1.00 0.00 C ATOM 176 CZ TYR A 12 6.848 11.079 -6.837 1.00 0.00 C ATOM 177 OH TYR A 12 7.931 10.338 -6.477 1.00 0.00 O ATOM 0 H TYR A 12 1.045 14.316 -6.682 1.00 0.00 H new ATOM 0 HA TYR A 12 2.453 12.106 -5.628 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.530 12.973 -7.972 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.386 14.391 -7.399 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.604 10.693 -7.808 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.737 14.303 -6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.701 9.386 -7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.788 12.970 -6.400 1.00 0.00 H new ATOM 0 HH TYR A 12 8.540 10.888 -5.941 1.00 0.00 H new ATOM 187 N ASP A 13 4.149 12.850 -4.020 1.00 0.00 N ATOM 188 CA ASP A 13 5.059 13.206 -2.948 1.00 0.00 C ATOM 189 C ASP A 13 5.960 12.008 -2.710 1.00 0.00 C ATOM 190 O ASP A 13 5.467 10.963 -2.294 1.00 0.00 O ATOM 191 CB ASP A 13 4.275 13.516 -1.669 1.00 0.00 C ATOM 192 CG ASP A 13 5.203 13.659 -0.465 1.00 0.00 C ATOM 193 OD1 ASP A 13 6.234 14.349 -0.623 1.00 0.00 O ATOM 194 OD2 ASP A 13 4.874 13.068 0.584 1.00 0.00 O ATOM 0 H ASP A 13 4.117 11.848 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 13 5.638 14.090 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.707 14.437 -1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.554 12.721 -1.481 1.00 0.00 H new ATOM 199 N SER A 14 7.262 12.150 -2.962 1.00 0.00 N ATOM 200 CA SER A 14 8.217 11.075 -2.768 1.00 0.00 C ATOM 201 C SER A 14 8.394 10.734 -1.283 1.00 0.00 C ATOM 202 O SER A 14 9.443 11.028 -0.710 1.00 0.00 O ATOM 203 CB SER A 14 9.563 11.450 -3.399 1.00 0.00 C ATOM 204 OG SER A 14 9.397 11.886 -4.738 1.00 0.00 O ATOM 0 H SER A 14 7.677 13.016 -3.306 1.00 0.00 H new ATOM 0 HA SER A 14 7.826 10.185 -3.261 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.036 12.238 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.232 10.590 -3.374 1.00 0.00 H new ATOM 0 HG SER A 14 10.270 12.120 -5.116 1.00 0.00 H new ATOM 210 N CYS A 15 7.396 10.098 -0.663 1.00 0.00 N ATOM 211 CA CYS A 15 7.545 9.543 0.674 1.00 0.00 C ATOM 212 C CYS A 15 6.493 8.475 0.986 1.00 0.00 C ATOM 213 O CYS A 15 5.980 8.418 2.097 1.00 0.00 O ATOM 214 CB CYS A 15 7.615 10.636 1.755 1.00 0.00 C ATOM 215 SG CYS A 15 8.862 10.365 3.053 1.00 0.00 S ATOM 0 H CYS A 15 6.473 9.957 -1.074 1.00 0.00 H new ATOM 0 HA CYS A 15 8.508 9.033 0.690 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.820 11.591 1.271 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.636 10.721 2.226 1.00 0.00 H new ATOM 220 N GLY A 16 6.205 7.572 0.042 1.00 0.00 N ATOM 221 CA GLY A 16 5.395 6.397 0.357 1.00 0.00 C ATOM 222 C GLY A 16 3.910 6.584 0.072 1.00 0.00 C ATOM 223 O GLY A 16 3.253 7.453 0.644 1.00 0.00 O ATOM 0 H GLY A 16 6.515 7.632 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.763 5.548 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.526 6.148 1.410 1.00 0.00 H new ATOM 227 N SER A 17 3.385 5.707 -0.787 1.00 0.00 N ATOM 228 CA SER A 17 1.987 5.573 -1.139 1.00 0.00 C ATOM 229 C SER A 17 1.095 5.655 0.095 1.00 0.00 C ATOM 230 O SER A 17 1.074 4.716 0.889 1.00 0.00 O ATOM 231 CB SER A 17 1.833 4.220 -1.849 1.00 0.00 C ATOM 232 OG SER A 17 2.996 3.942 -2.614 1.00 0.00 O ATOM 0 H SER A 17 3.970 5.033 -1.281 1.00 0.00 H new ATOM 0 HA SER A 17 1.676 6.388 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.672 3.430 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.956 4.237 -2.496 1.00 0.00 H new ATOM 0 HG SER A 17 2.893 3.077 -3.063 1.00 0.00 H new ATOM 238 N LYS A 18 0.367 6.765 0.238 1.00 0.00 N ATOM 239 CA LYS A 18 -0.464 7.067 1.392 1.00 0.00 C ATOM 240 C LYS A 18 0.213 6.651 2.702 1.00 0.00 C ATOM 241 O LYS A 18 -0.389 5.968 3.534 1.00 0.00 O ATOM 242 CB LYS A 18 -1.910 6.558 1.222 1.00 0.00 C ATOM 243 CG LYS A 18 -2.146 5.047 1.028 1.00 0.00 C ATOM 244 CD LYS A 18 -1.929 4.445 -0.376 1.00 0.00 C ATOM 245 CE LYS A 18 -2.219 5.402 -1.539 1.00 0.00 C ATOM 246 NZ LYS A 18 -2.094 4.731 -2.844 1.00 0.00 N ATOM 0 H LYS A 18 0.343 7.497 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.566 8.150 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.476 6.871 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.343 7.073 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.492 4.517 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.171 4.830 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.897 4.104 -0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.564 3.566 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.225 5.807 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.530 6.245 -1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.163 5.436 -3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.174 4.250 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.857 4.032 -2.949 1.00 0.00 H new ATOM 260 N GLU A 19 1.470 7.080 2.881 1.00 0.00 N ATOM 261 CA GLU A 19 2.192 6.875 4.126 1.00 0.00 C ATOM 262 C GLU A 19 1.404 7.427 5.318 1.00 0.00 C ATOM 263 O GLU A 19 0.431 8.161 5.142 1.00 0.00 O ATOM 264 CB GLU A 19 3.582 7.523 4.058 1.00 0.00 C ATOM 265 CG GLU A 19 3.520 9.038 3.782 1.00 0.00 C ATOM 266 CD GLU A 19 4.699 9.832 4.350 1.00 0.00 C ATOM 267 OE1 GLU A 19 5.485 9.258 5.138 1.00 0.00 O ATOM 268 OE2 GLU A 19 4.762 11.038 4.028 1.00 0.00 O ATOM 0 H GLU A 19 2.004 7.575 2.167 1.00 0.00 H new ATOM 0 HA GLU A 19 2.315 5.801 4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.105 7.350 4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.166 7.039 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.476 9.197 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.595 9.434 4.201 1.00 0.00 H new ATOM 275 N CYS A 20 1.857 7.164 6.545 1.00 0.00 N ATOM 276 CA CYS A 20 1.118 7.557 7.744 1.00 0.00 C ATOM 277 C CYS A 20 1.247 9.053 8.087 1.00 0.00 C ATOM 278 O CYS A 20 1.227 9.438 9.259 1.00 0.00 O ATOM 279 CB CYS A 20 1.488 6.662 8.928 1.00 0.00 C ATOM 280 SG CYS A 20 0.127 6.554 10.114 1.00 0.00 S ATOM 0 H CYS A 20 2.734 6.679 6.734 1.00 0.00 H new ATOM 0 HA CYS A 20 0.062 7.408 7.519 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.741 5.665 8.569 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.375 7.057 9.423 1.00 0.00 H new ATOM 285 N ASP A 21 1.408 9.892 7.056 1.00 0.00 N ATOM 286 CA ASP A 21 1.324 11.341 7.104 1.00 0.00 C ATOM 287 C ASP A 21 -0.124 11.683 6.770 1.00 0.00 C ATOM 288 O ASP A 21 -0.758 10.950 6.016 1.00 0.00 O ATOM 289 CB ASP A 21 2.251 11.970 6.058 1.00 0.00 C ATOM 290 CG ASP A 21 2.151 13.493 6.055 1.00 0.00 C ATOM 291 OD1 ASP A 21 1.994 14.059 7.161 1.00 0.00 O ATOM 292 OD2 ASP A 21 2.204 14.069 4.948 1.00 0.00 O ATOM 0 H ASP A 21 1.612 9.550 6.117 1.00 0.00 H new ATOM 0 HA ASP A 21 1.624 11.721 8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.280 11.674 6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.997 11.587 5.070 1.00 0.00 H new ATOM 297 N LYS A 22 -0.644 12.788 7.308 1.00 0.00 N ATOM 298 CA LYS A 22 -2.067 13.110 7.242 1.00 0.00 C ATOM 299 C LYS A 22 -2.916 11.854 7.501 1.00 0.00 C ATOM 300 O LYS A 22 -3.911 11.592 6.823 1.00 0.00 O ATOM 301 CB LYS A 22 -2.416 13.748 5.887 1.00 0.00 C ATOM 302 CG LYS A 22 -1.447 14.831 5.394 1.00 0.00 C ATOM 303 CD LYS A 22 -1.375 16.032 6.345 1.00 0.00 C ATOM 304 CE LYS A 22 -0.437 17.112 5.794 1.00 0.00 C ATOM 305 NZ LYS A 22 0.970 16.671 5.779 1.00 0.00 N ATOM 0 H LYS A 22 -0.087 13.485 7.802 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.295 13.837 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.464 12.959 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.413 14.183 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.452 14.400 5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.760 15.172 4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.372 16.449 6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.024 15.705 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.744 17.376 4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.527 18.013 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.570 17.438 5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.268 16.427 6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.066 15.836 5.166 1.00 0.00 H new ATOM 319 N LYS A 23 -2.506 11.056 8.490 1.00 0.00 N ATOM 320 CA LYS A 23 -3.265 9.882 8.866 1.00 0.00 C ATOM 321 C LYS A 23 -4.554 10.357 9.527 1.00 0.00 C ATOM 322 O LYS A 23 -4.573 11.410 10.165 1.00 0.00 O ATOM 323 CB LYS A 23 -2.415 8.940 9.725 1.00 0.00 C ATOM 324 CG LYS A 23 -2.150 9.399 11.171 1.00 0.00 C ATOM 325 CD LYS A 23 -3.274 9.096 12.177 1.00 0.00 C ATOM 326 CE LYS A 23 -3.548 7.593 12.344 1.00 0.00 C ATOM 327 NZ LYS A 23 -4.638 7.349 13.304 1.00 0.00 N ATOM 0 H LYS A 23 -1.658 11.208 9.036 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.541 9.282 7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.907 7.968 9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.455 8.795 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.234 8.925 11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.971 10.474 11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.010 9.520 13.146 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.188 9.591 11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.808 7.159 11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.642 7.092 12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.708 6.330 13.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.440 7.857 14.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.536 7.688 12.903 1.00 0.00 H new ATOM 341 N CYS A 24 -5.640 9.603 9.375 1.00 0.00 N ATOM 342 CA CYS A 24 -6.908 10.001 9.960 1.00 0.00 C ATOM 343 C CYS A 24 -6.974 9.588 11.432 1.00 0.00 C ATOM 344 O CYS A 24 -6.818 8.409 11.746 1.00 0.00 O ATOM 345 CB CYS A 24 -8.057 9.411 9.156 1.00 0.00 C ATOM 346 SG CYS A 24 -9.635 9.833 9.897 1.00 0.00 S ATOM 0 H CYS A 24 -5.664 8.724 8.857 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.995 11.087 9.924 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.020 9.784 8.132 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.952 8.327 9.105 1.00 0.00 H new ATOM 351 N LYS A 25 -7.142 10.560 12.335 1.00 0.00 N ATOM 352 CA LYS A 25 -7.009 10.344 13.771 1.00 0.00 C ATOM 353 C LYS A 25 -8.317 9.858 14.404 1.00 0.00 C ATOM 354 O LYS A 25 -8.318 8.818 15.053 1.00 0.00 O ATOM 355 CB LYS A 25 -6.449 11.619 14.423 1.00 0.00 C ATOM 356 CG LYS A 25 -6.252 11.551 15.945 1.00 0.00 C ATOM 357 CD LYS A 25 -5.540 10.277 16.423 1.00 0.00 C ATOM 358 CE LYS A 25 -5.137 10.414 17.896 1.00 0.00 C ATOM 359 NZ LYS A 25 -4.855 9.099 18.499 1.00 0.00 N ATOM 0 H LYS A 25 -7.375 11.521 12.084 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.299 9.537 13.951 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.490 11.852 13.960 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.121 12.447 14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.677 12.419 16.266 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.226 11.616 16.431 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.197 9.416 16.297 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.656 10.095 15.812 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.255 11.050 17.976 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.936 10.906 18.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.290 9.227 19.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.751 8.627 18.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.325 8.513 17.822 1.00 0.00 H new ATOM 373 N TYR A 26 -9.417 10.606 14.248 1.00 0.00 N ATOM 374 CA TYR A 26 -10.683 10.364 14.951 1.00 0.00 C ATOM 375 C TYR A 26 -10.468 9.845 16.377 1.00 0.00 C ATOM 376 O TYR A 26 -10.929 8.768 16.748 1.00 0.00 O ATOM 377 CB TYR A 26 -11.699 9.552 14.124 1.00 0.00 C ATOM 378 CG TYR A 26 -11.366 8.138 13.686 1.00 0.00 C ATOM 379 CD1 TYR A 26 -10.361 7.930 12.723 1.00 0.00 C ATOM 380 CD2 TYR A 26 -12.294 7.107 13.936 1.00 0.00 C ATOM 381 CE1 TYR A 26 -10.240 6.697 12.066 1.00 0.00 C ATOM 382 CE2 TYR A 26 -12.202 5.889 13.243 1.00 0.00 C ATOM 383 CZ TYR A 26 -11.153 5.670 12.336 1.00 0.00 C ATOM 384 OH TYR A 26 -11.009 4.465 11.718 1.00 0.00 O ATOM 0 H TYR A 26 -9.453 11.409 13.620 1.00 0.00 H new ATOM 0 HA TYR A 26 -11.160 11.337 15.069 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.622 9.503 14.702 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -11.917 10.127 13.224 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.675 8.730 12.487 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -13.079 7.254 14.663 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.444 6.540 11.353 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.940 5.118 13.408 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.617 3.813 12.126 1.00 0.00 H new ATOM 394 N ASP A 27 -9.739 10.651 17.156 1.00 0.00 N ATOM 395 CA ASP A 27 -9.346 10.427 18.542 1.00 0.00 C ATOM 396 C ASP A 27 -8.857 8.995 18.817 1.00 0.00 C ATOM 397 O ASP A 27 -7.661 8.726 18.737 1.00 0.00 O ATOM 398 CB ASP A 27 -10.464 10.908 19.482 1.00 0.00 C ATOM 399 CG ASP A 27 -9.994 11.026 20.928 1.00 0.00 C ATOM 400 OD1 ASP A 27 -9.463 10.030 21.461 1.00 0.00 O ATOM 401 OD2 ASP A 27 -10.191 12.122 21.499 1.00 0.00 O ATOM 0 H ASP A 27 -9.385 11.540 16.804 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.463 11.031 18.751 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.830 11.876 19.141 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.303 10.214 19.430 1.00 0.00 H new ATOM 406 N GLY A 28 -9.764 8.084 19.168 1.00 0.00 N ATOM 407 CA GLY A 28 -9.451 6.720 19.543 1.00 0.00 C ATOM 408 C GLY A 28 -9.264 5.810 18.332 1.00 0.00 C ATOM 409 O GLY A 28 -8.935 4.639 18.516 1.00 0.00 O ATOM 0 H GLY A 28 -10.763 8.288 19.198 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.542 6.711 20.144 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.251 6.326 20.170 1.00 0.00 H new ATOM 413 N VAL A 29 -9.477 6.308 17.107 1.00 0.00 N ATOM 414 CA VAL A 29 -9.442 5.506 15.890 1.00 0.00 C ATOM 415 C VAL A 29 -10.507 4.407 16.044 1.00 0.00 C ATOM 416 O VAL A 29 -11.698 4.686 15.930 1.00 0.00 O ATOM 417 CB VAL A 29 -8.008 4.999 15.584 1.00 0.00 C ATOM 418 CG1 VAL A 29 -7.944 4.279 14.231 1.00 0.00 C ATOM 419 CG2 VAL A 29 -6.971 6.128 15.541 1.00 0.00 C ATOM 0 H VAL A 29 -9.681 7.293 16.938 1.00 0.00 H new ATOM 0 HA VAL A 29 -9.691 6.094 15.007 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.771 4.318 16.402 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.925 3.937 14.049 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.618 3.422 14.243 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.244 4.965 13.439 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.988 5.711 15.323 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.243 6.842 14.764 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.944 6.634 16.506 1.00 0.00 H new ATOM 429 N GLU A 30 -10.077 3.184 16.369 1.00 0.00 N ATOM 430 CA GLU A 30 -10.917 2.071 16.769 1.00 0.00 C ATOM 431 C GLU A 30 -10.653 1.815 18.255 1.00 0.00 C ATOM 432 O GLU A 30 -11.552 1.964 19.078 1.00 0.00 O ATOM 433 CB GLU A 30 -10.619 0.827 15.917 1.00 0.00 C ATOM 434 CG GLU A 30 -11.487 0.721 14.656 1.00 0.00 C ATOM 435 CD GLU A 30 -11.198 1.800 13.623 1.00 0.00 C ATOM 436 OE1 GLU A 30 -10.079 1.768 13.071 1.00 0.00 O ATOM 437 OE2 GLU A 30 -12.108 2.621 13.371 1.00 0.00 O ATOM 0 H GLU A 30 -9.087 2.941 16.357 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.970 2.304 16.612 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.569 0.841 15.625 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.769 -0.064 16.526 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.332 -0.257 14.200 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.537 0.777 14.943 1.00 0.00 H new ATOM 444 N GLU A 31 -9.417 1.422 18.590 1.00 0.00 N ATOM 445 CA GLU A 31 -8.994 1.075 19.940 1.00 0.00 C ATOM 446 C GLU A 31 -7.567 1.573 20.204 1.00 0.00 C ATOM 447 O GLU A 31 -6.719 0.826 20.688 1.00 0.00 O ATOM 448 CB GLU A 31 -9.178 -0.439 20.178 1.00 0.00 C ATOM 449 CG GLU A 31 -8.301 -1.398 19.344 1.00 0.00 C ATOM 450 CD GLU A 31 -8.494 -1.271 17.837 1.00 0.00 C ATOM 451 OE1 GLU A 31 -7.821 -0.394 17.249 1.00 0.00 O ATOM 452 OE2 GLU A 31 -9.321 -2.039 17.302 1.00 0.00 O ATOM 0 H GLU A 31 -8.667 1.336 17.904 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.626 1.582 20.669 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.989 -0.640 21.233 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.223 -0.686 19.988 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.253 -1.213 19.582 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.519 -2.424 19.642 1.00 0.00 H new ATOM 459 N GLU A 32 -7.297 2.849 19.904 1.00 0.00 N ATOM 460 CA GLU A 32 -6.019 3.494 20.184 1.00 0.00 C ATOM 461 C GLU A 32 -5.885 3.678 21.702 1.00 0.00 C ATOM 462 O GLU A 32 -6.074 4.770 22.234 1.00 0.00 O ATOM 463 CB GLU A 32 -5.918 4.808 19.387 1.00 0.00 C ATOM 464 CG GLU A 32 -4.475 5.267 19.139 1.00 0.00 C ATOM 465 CD GLU A 32 -3.767 5.777 20.393 1.00 0.00 C ATOM 466 OE1 GLU A 32 -3.270 4.922 21.160 1.00 0.00 O ATOM 467 OE2 GLU A 32 -3.722 7.017 20.551 1.00 0.00 O ATOM 0 H GLU A 32 -7.973 3.467 19.454 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.180 2.878 19.860 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.420 4.681 18.428 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.452 5.591 19.925 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.905 4.436 18.724 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.479 6.057 18.388 1.00 0.00 H new ATOM 474 N ASP A 33 -5.592 2.577 22.391 1.00 0.00 N ATOM 475 CA ASP A 33 -5.519 2.485 23.839 1.00 0.00 C ATOM 476 C ASP A 33 -4.150 2.957 24.340 1.00 0.00 C ATOM 477 O ASP A 33 -4.061 3.705 25.313 1.00 0.00 O ATOM 478 CB ASP A 33 -5.845 1.044 24.264 1.00 0.00 C ATOM 479 CG ASP A 33 -4.748 0.034 23.925 1.00 0.00 C ATOM 480 OD1 ASP A 33 -4.238 0.103 22.784 1.00 0.00 O ATOM 481 OD2 ASP A 33 -4.428 -0.775 24.821 1.00 0.00 O ATOM 0 H ASP A 33 -5.391 1.689 21.931 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.255 3.145 24.298 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.023 1.024 25.339 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.772 0.734 23.781 1.00 0.00 H new ATOM 486 N ASP A 34 -3.084 2.509 23.676 1.00 0.00 N ATOM 487 CA ASP A 34 -1.706 2.893 23.954 1.00 0.00 C ATOM 488 C ASP A 34 -0.860 2.532 22.733 1.00 0.00 C ATOM 489 O ASP A 34 0.106 1.781 22.825 1.00 0.00 O ATOM 490 CB ASP A 34 -1.207 2.197 25.232 1.00 0.00 C ATOM 491 CG ASP A 34 0.216 2.610 25.606 1.00 0.00 C ATOM 492 OD1 ASP A 34 0.566 3.781 25.336 1.00 0.00 O ATOM 493 OD2 ASP A 34 0.920 1.754 26.183 1.00 0.00 O ATOM 0 H ASP A 34 -3.162 1.847 22.904 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.630 3.966 24.133 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.879 2.434 26.057 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.243 1.117 25.091 1.00 0.00 H new ATOM 498 N GLU A 35 -1.279 3.032 21.569 1.00 0.00 N ATOM 499 CA GLU A 35 -0.665 2.761 20.282 1.00 0.00 C ATOM 500 C GLU A 35 -0.518 4.086 19.542 1.00 0.00 C ATOM 501 O GLU A 35 -1.434 4.490 18.828 1.00 0.00 O ATOM 502 CB GLU A 35 -1.558 1.789 19.494 1.00 0.00 C ATOM 503 CG GLU A 35 -1.564 0.368 20.078 1.00 0.00 C ATOM 504 CD GLU A 35 -0.203 -0.322 19.994 1.00 0.00 C ATOM 505 OE1 GLU A 35 0.544 -0.008 19.040 1.00 0.00 O ATOM 506 OE2 GLU A 35 0.057 -1.172 20.872 1.00 0.00 O ATOM 0 H GLU A 35 -2.082 3.657 21.502 1.00 0.00 H new ATOM 0 HA GLU A 35 0.317 2.303 20.402 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.578 2.173 19.479 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.217 1.749 18.460 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.878 0.412 21.121 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.302 -0.233 19.547 1.00 0.00 H new ATOM 513 N GLU A 36 0.619 4.768 19.719 1.00 0.00 N ATOM 514 CA GLU A 36 0.901 6.047 19.074 1.00 0.00 C ATOM 515 C GLU A 36 0.494 5.962 17.592 1.00 0.00 C ATOM 516 O GLU A 36 0.950 5.040 16.914 1.00 0.00 O ATOM 517 CB GLU A 36 2.385 6.424 19.211 1.00 0.00 C ATOM 518 CG GLU A 36 2.903 6.410 20.659 1.00 0.00 C ATOM 519 CD GLU A 36 3.512 5.062 21.044 1.00 0.00 C ATOM 520 OE1 GLU A 36 2.721 4.168 21.416 1.00 0.00 O ATOM 521 OE2 GLU A 36 4.751 4.946 20.935 1.00 0.00 O ATOM 0 H GLU A 36 1.375 4.441 20.321 1.00 0.00 H new ATOM 0 HA GLU A 36 0.322 6.829 19.566 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.981 5.732 18.616 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.537 7.418 18.791 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.651 7.193 20.782 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.083 6.643 21.338 1.00 0.00 H new ATOM 528 N PRO A 37 -0.360 6.873 17.089 1.00 0.00 N ATOM 529 CA PRO A 37 -0.996 6.771 15.778 1.00 0.00 C ATOM 530 C PRO A 37 -0.006 6.921 14.612 1.00 0.00 C ATOM 531 O PRO A 37 0.011 7.932 13.912 1.00 0.00 O ATOM 532 CB PRO A 37 -2.092 7.842 15.793 1.00 0.00 C ATOM 533 CG PRO A 37 -1.527 8.906 16.729 1.00 0.00 C ATOM 534 CD PRO A 37 -0.837 8.054 17.791 1.00 0.00 C ATOM 0 HA PRO A 37 -1.413 5.779 15.608 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.279 8.241 14.796 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.038 7.445 16.160 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.828 9.569 16.219 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.310 9.534 17.154 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.012 8.596 18.254 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.529 7.784 18.589 1.00 0.00 H new ATOM 542 N ASN A 38 0.804 5.882 14.411 1.00 0.00 N ATOM 543 CA ASN A 38 1.912 5.761 13.463 1.00 0.00 C ATOM 544 C ASN A 38 2.622 4.421 13.697 1.00 0.00 C ATOM 545 O ASN A 38 3.099 3.806 12.751 1.00 0.00 O ATOM 546 CB ASN A 38 2.894 6.947 13.570 1.00 0.00 C ATOM 547 CG ASN A 38 2.953 7.768 12.280 1.00 0.00 C ATOM 548 OD1 ASN A 38 3.972 7.792 11.599 1.00 0.00 O ATOM 549 ND2 ASN A 38 1.877 8.469 11.933 1.00 0.00 N ATOM 0 H ASN A 38 0.692 5.027 14.956 1.00 0.00 H new ATOM 0 HA ASN A 38 1.514 5.787 12.449 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.593 7.592 14.396 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.890 6.572 13.805 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.891 9.039 11.087 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.038 8.436 12.513 1.00 0.00 H new ATOM 556 N VAL A 39 2.663 3.938 14.946 1.00 0.00 N ATOM 557 CA VAL A 39 3.224 2.632 15.281 1.00 0.00 C ATOM 558 C VAL A 39 2.489 1.489 14.552 1.00 0.00 C ATOM 559 O VAL A 39 3.122 0.801 13.755 1.00 0.00 O ATOM 560 CB VAL A 39 3.317 2.465 16.811 1.00 0.00 C ATOM 561 CG1 VAL A 39 3.692 1.034 17.218 1.00 0.00 C ATOM 562 CG2 VAL A 39 4.378 3.422 17.371 1.00 0.00 C ATOM 0 H VAL A 39 2.305 4.449 15.753 1.00 0.00 H new ATOM 0 HA VAL A 39 4.247 2.575 14.910 1.00 0.00 H new ATOM 0 HB VAL A 39 2.332 2.691 17.219 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.745 0.967 18.305 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.937 0.341 16.848 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.661 0.776 16.791 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.442 3.302 18.452 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.345 3.195 16.923 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.101 4.450 17.136 1.00 0.00 H new ATOM 572 N PRO A 40 1.184 1.247 14.781 1.00 0.00 N ATOM 573 CA PRO A 40 0.459 0.217 14.047 1.00 0.00 C ATOM 574 C PRO A 40 0.314 0.614 12.577 1.00 0.00 C ATOM 575 O PRO A 40 0.442 -0.219 11.683 1.00 0.00 O ATOM 576 CB PRO A 40 -0.900 0.090 14.743 1.00 0.00 C ATOM 577 CG PRO A 40 -1.119 1.475 15.349 1.00 0.00 C ATOM 578 CD PRO A 40 0.298 1.906 15.728 1.00 0.00 C ATOM 0 HA PRO A 40 0.983 -0.739 14.051 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.690 -0.169 14.038 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.888 -0.686 15.508 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.573 2.162 14.635 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.776 1.437 16.218 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.404 2.989 15.673 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.534 1.614 16.751 1.00 0.00 H new ATOM 586 N CYS A 41 0.071 1.901 12.316 1.00 0.00 N ATOM 587 CA CYS A 41 0.009 2.481 10.978 1.00 0.00 C ATOM 588 C CYS A 41 1.432 2.629 10.426 1.00 0.00 C ATOM 589 O CYS A 41 1.868 3.713 10.054 1.00 0.00 O ATOM 590 CB CYS A 41 -0.753 3.809 11.082 1.00 0.00 C ATOM 591 SG CYS A 41 -0.937 4.833 9.598 1.00 0.00 S ATOM 0 H CYS A 41 -0.092 2.586 13.054 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.526 1.844 10.273 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.753 3.587 11.455 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.257 4.415 11.841 1.00 0.00 H new ATOM 596 N LEU A 42 2.167 1.517 10.337 1.00 0.00 N ATOM 597 CA LEU A 42 3.600 1.491 10.044 1.00 0.00 C ATOM 598 C LEU A 42 3.969 1.849 8.600 1.00 0.00 C ATOM 599 O LEU A 42 5.085 1.574 8.156 1.00 0.00 O ATOM 600 CB LEU A 42 4.182 0.128 10.454 1.00 0.00 C ATOM 601 CG LEU A 42 3.966 -1.045 9.476 1.00 0.00 C ATOM 602 CD1 LEU A 42 4.606 -2.304 10.072 1.00 0.00 C ATOM 603 CD2 LEU A 42 2.491 -1.336 9.172 1.00 0.00 C ATOM 0 H LEU A 42 1.770 0.587 10.470 1.00 0.00 H new ATOM 0 HA LEU A 42 4.051 2.286 10.639 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.254 0.249 10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.752 -0.149 11.416 1.00 0.00 H new ATOM 0 HG LEU A 42 4.429 -0.758 8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.461 -3.143 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.673 -2.135 10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.139 -2.530 11.031 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.421 -2.173 8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.972 -1.587 10.097 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.031 -0.455 8.725 1.00 0.00 H new ATOM 615 N VAL A 43 3.059 2.467 7.846 1.00 0.00 N ATOM 616 CA VAL A 43 3.312 2.800 6.453 1.00 0.00 C ATOM 617 C VAL A 43 4.206 4.037 6.383 1.00 0.00 C ATOM 618 O VAL A 43 3.741 5.145 6.135 1.00 0.00 O ATOM 619 CB VAL A 43 2.017 2.908 5.620 1.00 0.00 C ATOM 620 CG1 VAL A 43 1.494 1.505 5.288 1.00 0.00 C ATOM 621 CG2 VAL A 43 0.889 3.685 6.308 1.00 0.00 C ATOM 0 H VAL A 43 2.138 2.746 8.183 1.00 0.00 H new ATOM 0 HA VAL A 43 3.852 1.978 5.983 1.00 0.00 H new ATOM 0 HB VAL A 43 2.293 3.463 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.580 1.587 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.246 0.962 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.284 0.967 6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.016 3.714 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.626 3.192 7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.221 4.702 6.514 1.00 0.00 H new ATOM 631 N ARG A 44 5.503 3.827 6.600 1.00 0.00 N ATOM 632 CA ARG A 44 6.554 4.812 6.373 1.00 0.00 C ATOM 633 C ARG A 44 7.576 4.236 5.392 1.00 0.00 C ATOM 634 O ARG A 44 8.768 4.527 5.475 1.00 0.00 O ATOM 635 CB ARG A 44 7.187 5.226 7.709 1.00 0.00 C ATOM 636 CG ARG A 44 6.207 5.969 8.627 1.00 0.00 C ATOM 637 CD ARG A 44 5.764 7.310 8.029 1.00 0.00 C ATOM 638 NE ARG A 44 5.040 8.105 9.022 1.00 0.00 N ATOM 639 CZ ARG A 44 4.719 9.398 8.893 1.00 0.00 C ATOM 640 NH1 ARG A 44 4.954 10.059 7.757 1.00 0.00 N ATOM 641 NH2 ARG A 44 4.161 10.012 9.937 1.00 0.00 N ATOM 0 H ARG A 44 5.861 2.938 6.950 1.00 0.00 H new ATOM 0 HA ARG A 44 6.138 5.716 5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.556 4.338 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.050 5.863 7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.332 5.344 8.804 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.677 6.141 9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.635 7.863 7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.127 7.135 7.162 1.00 0.00 H new ATOM 0 HE ARG A 44 4.757 7.636 9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.386 9.579 6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.702 11.044 7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.991 9.497 10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.904 10.997 9.872 1.00 0.00 H new ATOM 655 N VAL A 45 7.099 3.444 4.426 1.00 0.00 N ATOM 656 CA VAL A 45 7.902 2.950 3.316 1.00 0.00 C ATOM 657 C VAL A 45 8.142 4.107 2.339 1.00 0.00 C ATOM 658 O VAL A 45 7.622 4.136 1.226 1.00 0.00 O ATOM 659 CB VAL A 45 7.251 1.688 2.707 1.00 0.00 C ATOM 660 CG1 VAL A 45 5.829 1.881 2.152 1.00 0.00 C ATOM 661 CG2 VAL A 45 8.152 1.049 1.643 1.00 0.00 C ATOM 0 H VAL A 45 6.130 3.127 4.398 1.00 0.00 H new ATOM 0 HA VAL A 45 8.887 2.616 3.641 1.00 0.00 H new ATOM 0 HB VAL A 45 7.142 1.013 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.465 0.936 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.168 2.213 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.846 2.631 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.663 0.164 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.332 1.765 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.102 0.763 2.095 1.00 0.00 H new ATOM 671 N CYS A 46 8.899 5.113 2.785 1.00 0.00 N ATOM 672 CA CYS A 46 9.117 6.296 1.976 1.00 0.00 C ATOM 673 C CYS A 46 9.922 5.942 0.736 1.00 0.00 C ATOM 674 O CYS A 46 11.016 5.391 0.828 1.00 0.00 O ATOM 675 CB CYS A 46 9.776 7.441 2.744 1.00 0.00 C ATOM 676 SG CYS A 46 8.640 8.415 3.768 1.00 0.00 S ATOM 0 H CYS A 46 9.363 5.125 3.693 1.00 0.00 H new ATOM 0 HA CYS A 46 8.133 6.660 1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.558 7.030 3.382 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.263 8.106 2.031 1.00 0.00 H new ATOM 681 N HIS A 47 9.365 6.287 -0.421 1.00 0.00 N ATOM 682 CA HIS A 47 10.010 6.171 -1.712 1.00 0.00 C ATOM 683 C HIS A 47 9.325 7.169 -2.641 1.00 0.00 C ATOM 684 O HIS A 47 9.440 8.367 -2.422 1.00 0.00 O ATOM 685 CB HIS A 47 10.028 4.707 -2.194 1.00 0.00 C ATOM 686 CG HIS A 47 8.743 3.918 -2.048 1.00 0.00 C ATOM 687 ND1 HIS A 47 7.458 4.412 -1.967 1.00 0.00 N ATOM 688 CD2 HIS A 47 8.660 2.553 -1.962 1.00 0.00 C ATOM 689 CE1 HIS A 47 6.628 3.362 -1.833 1.00 0.00 C ATOM 690 NE2 HIS A 47 7.311 2.208 -1.838 1.00 0.00 N ATOM 0 H HIS A 47 8.420 6.667 -0.481 1.00 0.00 H new ATOM 0 HA HIS A 47 11.068 6.429 -1.676 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.312 4.701 -3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.812 4.181 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.491 1.864 -1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.555 3.438 -1.735 1.00 0.00 H new ATOM 0 HE2 HIS A 47 6.924 1.267 -1.766 1.00 0.00 H new ATOM 698 N GLN A 48 8.600 6.694 -3.651 1.00 0.00 N ATOM 699 CA GLN A 48 7.859 7.523 -4.592 1.00 0.00 C ATOM 700 C GLN A 48 6.397 7.717 -4.136 1.00 0.00 C ATOM 701 O GLN A 48 6.144 8.025 -2.968 1.00 0.00 O ATOM 702 CB GLN A 48 8.030 6.937 -6.009 1.00 0.00 C ATOM 703 CG GLN A 48 9.486 6.581 -6.357 1.00 0.00 C ATOM 704 CD GLN A 48 10.512 7.646 -5.976 1.00 0.00 C ATOM 705 OE1 GLN A 48 11.522 7.337 -5.353 1.00 0.00 O ATOM 706 NE2 GLN A 48 10.278 8.904 -6.334 1.00 0.00 N ATOM 0 H GLN A 48 8.511 5.696 -3.840 1.00 0.00 H new ATOM 0 HA GLN A 48 8.262 8.535 -4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.414 6.042 -6.100 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.656 7.656 -6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.747 5.649 -5.856 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.554 6.397 -7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.431 9.138 -6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.945 9.636 -6.091 1.00 0.00 H new ATOM 715 N ASP A 49 5.462 7.378 -5.035 1.00 0.00 N ATOM 716 CA ASP A 49 4.013 7.570 -5.038 1.00 0.00 C ATOM 717 C ASP A 49 3.486 8.902 -4.454 1.00 0.00 C ATOM 718 O ASP A 49 4.108 9.951 -4.635 1.00 0.00 O ATOM 719 CB ASP A 49 3.408 6.315 -4.389 1.00 0.00 C ATOM 720 CG ASP A 49 2.002 5.945 -4.869 1.00 0.00 C ATOM 721 OD1 ASP A 49 1.033 6.489 -4.295 1.00 0.00 O ATOM 722 OD2 ASP A 49 1.919 5.088 -5.776 1.00 0.00 O ATOM 0 H ASP A 49 5.749 6.899 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 49 3.682 7.682 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.072 5.472 -4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.379 6.462 -3.309 1.00 0.00 H new ATOM 727 N CYS A 50 2.287 8.883 -3.857 1.00 0.00 N ATOM 728 CA CYS A 50 1.520 10.061 -3.464 1.00 0.00 C ATOM 729 C CYS A 50 1.071 10.039 -2.004 1.00 0.00 C ATOM 730 O CYS A 50 1.096 8.994 -1.354 1.00 0.00 O ATOM 731 CB CYS A 50 0.236 10.088 -4.300 1.00 0.00 C ATOM 732 SG CYS A 50 0.325 10.555 -6.034 1.00 0.00 S ATOM 0 H CYS A 50 1.811 8.011 -3.628 1.00 0.00 H new ATOM 0 HA CYS A 50 2.170 10.923 -3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.208 9.094 -4.251 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.459 10.772 -3.812 1.00 0.00 H new ATOM 737 N VAL A 51 0.577 11.197 -1.542 1.00 0.00 N ATOM 738 CA VAL A 51 -0.114 11.393 -0.269 1.00 0.00 C ATOM 739 C VAL A 51 -1.342 12.288 -0.516 1.00 0.00 C ATOM 740 O VAL A 51 -1.567 12.725 -1.645 1.00 0.00 O ATOM 741 CB VAL A 51 0.838 11.976 0.795 1.00 0.00 C ATOM 742 CG1 VAL A 51 2.052 11.065 1.011 1.00 0.00 C ATOM 743 CG2 VAL A 51 1.302 13.398 0.453 1.00 0.00 C ATOM 0 H VAL A 51 0.655 12.062 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.453 10.436 0.127 1.00 0.00 H new ATOM 0 HB VAL A 51 0.266 12.031 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.705 11.502 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.716 10.084 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.600 10.961 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.970 13.761 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.830 13.389 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.436 14.056 0.382 1.00 0.00 H new ATOM 753 N CYS A 52 -2.146 12.556 0.520 1.00 0.00 N ATOM 754 CA CYS A 52 -3.324 13.423 0.419 1.00 0.00 C ATOM 755 C CYS A 52 -2.926 14.893 0.259 1.00 0.00 C ATOM 756 O CYS A 52 -1.764 15.258 0.429 1.00 0.00 O ATOM 757 CB CYS A 52 -4.208 13.297 1.665 1.00 0.00 C ATOM 758 SG CYS A 52 -4.856 11.669 2.085 1.00 0.00 S ATOM 0 H CYS A 52 -1.996 12.176 1.455 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.876 13.098 -0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.634 13.658 2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.055 13.972 1.542 1.00 0.00 H new ATOM 763 N GLU A 53 -3.905 15.756 -0.030 1.00 0.00 N ATOM 764 CA GLU A 53 -3.696 17.196 -0.031 1.00 0.00 C ATOM 765 C GLU A 53 -3.472 17.709 1.400 1.00 0.00 C ATOM 766 O GLU A 53 -3.869 17.065 2.369 1.00 0.00 O ATOM 767 CB GLU A 53 -4.859 17.944 -0.706 1.00 0.00 C ATOM 768 CG GLU A 53 -5.485 17.222 -1.906 1.00 0.00 C ATOM 769 CD GLU A 53 -6.724 16.447 -1.471 1.00 0.00 C ATOM 770 OE1 GLU A 53 -6.535 15.415 -0.792 1.00 0.00 O ATOM 771 OE2 GLU A 53 -7.835 16.933 -1.776 1.00 0.00 O ATOM 0 H GLU A 53 -4.856 15.473 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.800 17.398 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.636 18.123 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.502 18.920 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.752 17.946 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.758 16.541 -2.348 1.00 0.00 H new ATOM 778 N GLU A 54 -2.862 18.893 1.510 1.00 0.00 N ATOM 779 CA GLU A 54 -2.441 19.541 2.751 1.00 0.00 C ATOM 780 C GLU A 54 -3.377 19.324 3.953 1.00 0.00 C ATOM 781 O GLU A 54 -2.920 18.897 5.010 1.00 0.00 O ATOM 782 CB GLU A 54 -2.139 21.030 2.489 1.00 0.00 C ATOM 783 CG GLU A 54 -3.345 21.927 2.152 1.00 0.00 C ATOM 784 CD GLU A 54 -4.205 21.382 1.016 1.00 0.00 C ATOM 785 OE1 GLU A 54 -3.722 21.424 -0.136 1.00 0.00 O ATOM 786 OE2 GLU A 54 -5.302 20.869 1.334 1.00 0.00 O ATOM 0 H GLU A 54 -2.637 19.454 0.689 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.524 19.041 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.646 21.438 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.426 21.094 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.963 22.043 3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.986 22.920 1.882 1.00 0.00 H new ATOM 793 N GLY A 55 -4.667 19.638 3.805 1.00 0.00 N ATOM 794 CA GLY A 55 -5.649 19.562 4.883 1.00 0.00 C ATOM 795 C GLY A 55 -6.633 18.414 4.678 1.00 0.00 C ATOM 796 O GLY A 55 -7.772 18.494 5.138 1.00 0.00 O ATOM 0 H GLY A 55 -5.061 19.956 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.134 19.433 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.196 20.503 4.942 1.00 0.00 H new ATOM 800 N PHE A 56 -6.209 17.361 3.974 1.00 0.00 N ATOM 801 CA PHE A 56 -7.008 16.178 3.706 1.00 0.00 C ATOM 802 C PHE A 56 -6.288 14.987 4.322 1.00 0.00 C ATOM 803 O PHE A 56 -5.066 14.914 4.265 1.00 0.00 O ATOM 804 CB PHE A 56 -7.183 15.999 2.198 1.00 0.00 C ATOM 805 CG PHE A 56 -8.245 16.890 1.579 1.00 0.00 C ATOM 806 CD1 PHE A 56 -8.070 18.284 1.508 1.00 0.00 C ATOM 807 CD2 PHE A 56 -9.384 16.305 1.003 1.00 0.00 C ATOM 808 CE1 PHE A 56 -9.045 19.085 0.889 1.00 0.00 C ATOM 809 CE2 PHE A 56 -10.346 17.099 0.360 1.00 0.00 C ATOM 810 CZ PHE A 56 -10.182 18.494 0.312 1.00 0.00 C ATOM 0 H PHE A 56 -5.275 17.314 3.567 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.003 16.271 4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.230 16.197 1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.436 14.958 1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.186 18.739 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -9.521 15.235 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.920 20.157 0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.210 16.639 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.928 19.110 -0.167 1.00 0.00 H new ATOM 820 N TYR A 57 -7.049 14.081 4.932 1.00 0.00 N ATOM 821 CA TYR A 57 -6.546 12.991 5.745 1.00 0.00 C ATOM 822 C TYR A 57 -6.941 11.673 5.097 1.00 0.00 C ATOM 823 O TYR A 57 -8.077 11.542 4.637 1.00 0.00 O ATOM 824 CB TYR A 57 -7.124 13.113 7.159 1.00 0.00 C ATOM 825 CG TYR A 57 -6.783 14.433 7.819 1.00 0.00 C ATOM 826 CD1 TYR A 57 -5.546 14.578 8.476 1.00 0.00 C ATOM 827 CD2 TYR A 57 -7.587 15.566 7.583 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.093 15.854 8.853 1.00 0.00 C ATOM 829 CE2 TYR A 57 -7.129 16.841 7.955 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.875 16.987 8.569 1.00 0.00 C ATOM 831 OH TYR A 57 -5.423 18.233 8.886 1.00 0.00 O ATOM 0 H TYR A 57 -8.067 14.091 4.868 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.459 13.030 5.816 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.208 13.003 7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.746 12.296 7.773 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.944 13.707 8.691 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.555 15.454 7.116 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.146 15.964 9.360 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.742 17.710 7.768 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.089 18.900 8.619 1.00 0.00 H new ATOM 841 N ARG A 58 -6.013 10.710 5.046 1.00 0.00 N ATOM 842 CA ARG A 58 -6.247 9.426 4.389 1.00 0.00 C ATOM 843 C ARG A 58 -7.166 8.546 5.240 1.00 0.00 C ATOM 844 O ARG A 58 -6.721 7.568 5.842 1.00 0.00 O ATOM 845 CB ARG A 58 -4.922 8.722 4.057 1.00 0.00 C ATOM 846 CG ARG A 58 -3.973 8.585 5.260 1.00 0.00 C ATOM 847 CD ARG A 58 -3.188 7.272 5.201 1.00 0.00 C ATOM 848 NE ARG A 58 -4.109 6.123 5.197 1.00 0.00 N ATOM 849 CZ ARG A 58 -3.798 4.880 4.805 1.00 0.00 C ATOM 850 NH1 ARG A 58 -2.550 4.566 4.436 1.00 0.00 N ATOM 851 NH2 ARG A 58 -4.750 3.941 4.771 1.00 0.00 N ATOM 0 H ARG A 58 -5.084 10.801 5.458 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.753 9.611 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.138 7.729 3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.415 9.276 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.279 9.426 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.547 8.627 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.567 7.252 4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.516 7.204 6.056 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.063 6.287 5.519 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.819 5.278 4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.330 3.615 4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.705 4.173 5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.521 2.993 4.474 1.00 0.00 H new ATOM 865 N ASN A 59 -8.456 8.882 5.310 1.00 0.00 N ATOM 866 CA ASN A 59 -9.387 8.101 6.105 1.00 0.00 C ATOM 867 C ASN A 59 -9.473 6.676 5.561 1.00 0.00 C ATOM 868 O ASN A 59 -9.594 6.484 4.353 1.00 0.00 O ATOM 869 CB ASN A 59 -10.756 8.782 6.162 1.00 0.00 C ATOM 870 CG ASN A 59 -11.669 8.106 7.173 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.222 7.299 7.983 1.00 0.00 O ATOM 872 ND2 ASN A 59 -12.963 8.400 7.128 1.00 0.00 N ATOM 0 H ASN A 59 -8.870 9.681 4.830 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.020 8.042 7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.631 9.832 6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.219 8.755 5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.611 7.952 7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.309 9.074 6.445 1.00 0.00 H new ATOM 879 N LYS A 60 -9.394 5.687 6.456 1.00 0.00 N ATOM 880 CA LYS A 60 -9.373 4.262 6.157 1.00 0.00 C ATOM 881 C LYS A 60 -8.711 3.927 4.807 1.00 0.00 C ATOM 882 O LYS A 60 -7.487 3.988 4.675 1.00 0.00 O ATOM 883 CB LYS A 60 -10.777 3.657 6.358 1.00 0.00 C ATOM 884 CG LYS A 60 -11.931 4.516 5.809 1.00 0.00 C ATOM 885 CD LYS A 60 -13.252 3.742 5.883 1.00 0.00 C ATOM 886 CE LYS A 60 -14.399 4.500 5.200 1.00 0.00 C ATOM 887 NZ LYS A 60 -14.574 5.856 5.750 1.00 0.00 N ATOM 0 H LYS A 60 -9.341 5.874 7.457 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.715 3.772 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.809 2.679 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.938 3.494 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.010 5.440 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.724 4.798 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.129 2.768 5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.508 3.560 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.202 4.566 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.326 3.939 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.567 6.148 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.318 5.858 6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.961 6.521 5.236 1.00 0.00 H new ATOM 901 N ASP A 61 -9.514 3.561 3.806 1.00 0.00 N ATOM 902 CA ASP A 61 -9.054 3.009 2.536 1.00 0.00 C ATOM 903 C ASP A 61 -8.627 4.130 1.589 1.00 0.00 C ATOM 904 O ASP A 61 -9.240 4.323 0.541 1.00 0.00 O ATOM 905 CB ASP A 61 -10.164 2.145 1.922 1.00 0.00 C ATOM 906 CG ASP A 61 -10.574 0.999 2.838 1.00 0.00 C ATOM 907 OD1 ASP A 61 -9.921 -0.062 2.752 1.00 0.00 O ATOM 908 OD2 ASP A 61 -11.529 1.215 3.616 1.00 0.00 O ATOM 0 H ASP A 61 -10.529 3.644 3.861 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.182 2.378 2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.033 2.768 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.823 1.742 0.969 1.00 0.00 H new ATOM 913 N ASP A 62 -7.573 4.861 1.964 1.00 0.00 N ATOM 914 CA ASP A 62 -7.091 6.059 1.277 1.00 0.00 C ATOM 915 C ASP A 62 -8.236 6.979 0.836 1.00 0.00 C ATOM 916 O ASP A 62 -8.192 7.586 -0.231 1.00 0.00 O ATOM 917 CB ASP A 62 -6.194 5.665 0.089 1.00 0.00 C ATOM 918 CG ASP A 62 -5.528 6.876 -0.570 1.00 0.00 C ATOM 919 OD1 ASP A 62 -4.960 7.694 0.184 1.00 0.00 O ATOM 920 OD2 ASP A 62 -5.581 6.954 -1.820 1.00 0.00 O ATOM 0 H ASP A 62 -7.013 4.625 2.783 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.496 6.632 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.425 4.974 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.791 5.135 -0.653 1.00 0.00 H new ATOM 925 N LYS A 63 -9.260 7.126 1.675 1.00 0.00 N ATOM 926 CA LYS A 63 -10.278 8.130 1.449 1.00 0.00 C ATOM 927 C LYS A 63 -9.671 9.446 1.918 1.00 0.00 C ATOM 928 O LYS A 63 -9.830 9.834 3.072 1.00 0.00 O ATOM 929 CB LYS A 63 -11.590 7.753 2.154 1.00 0.00 C ATOM 930 CG LYS A 63 -12.104 6.354 1.780 1.00 0.00 C ATOM 931 CD LYS A 63 -12.361 6.217 0.272 1.00 0.00 C ATOM 932 CE LYS A 63 -12.975 4.865 -0.103 1.00 0.00 C ATOM 933 NZ LYS A 63 -14.301 4.664 0.506 1.00 0.00 N ATOM 0 H LYS A 63 -9.400 6.561 2.513 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.560 8.215 0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.441 7.801 3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.353 8.491 1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.376 5.605 2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.026 6.149 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.027 7.016 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.422 6.346 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.062 4.796 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.307 4.065 0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.755 3.830 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.194 4.516 1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.891 5.503 0.337 1.00 0.00 H new ATOM 947 N CYS A 64 -8.919 10.102 1.032 1.00 0.00 N ATOM 948 CA CYS A 64 -8.320 11.400 1.304 1.00 0.00 C ATOM 949 C CYS A 64 -9.435 12.430 1.390 1.00 0.00 C ATOM 950 O CYS A 64 -9.898 12.933 0.364 1.00 0.00 O ATOM 951 CB CYS A 64 -7.310 11.781 0.226 1.00 0.00 C ATOM 952 SG CYS A 64 -5.717 10.942 0.337 1.00 0.00 S ATOM 0 H CYS A 64 -8.710 9.741 0.101 1.00 0.00 H new ATOM 0 HA CYS A 64 -7.776 11.360 2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.747 11.570 -0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.140 12.857 0.273 1.00 0.00 H new ATOM 957 N VAL A 65 -9.875 12.721 2.614 1.00 0.00 N ATOM 958 CA VAL A 65 -11.026 13.563 2.902 1.00 0.00 C ATOM 959 C VAL A 65 -10.647 14.592 3.959 1.00 0.00 C ATOM 960 O VAL A 65 -9.827 14.319 4.833 1.00 0.00 O ATOM 961 CB VAL A 65 -12.210 12.709 3.384 1.00 0.00 C ATOM 962 CG1 VAL A 65 -12.699 11.764 2.280 1.00 0.00 C ATOM 963 CG2 VAL A 65 -11.869 11.924 4.660 1.00 0.00 C ATOM 0 H VAL A 65 -9.423 12.364 3.456 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.330 14.079 1.991 1.00 0.00 H new ATOM 0 HB VAL A 65 -13.020 13.397 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.537 11.173 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -13.020 12.348 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.888 11.098 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.733 11.334 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.027 11.260 4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.605 12.620 5.456 1.00 0.00 H new ATOM 973 N SER A 66 -11.245 15.778 3.892 1.00 0.00 N ATOM 974 CA SER A 66 -11.064 16.807 4.896 1.00 0.00 C ATOM 975 C SER A 66 -11.450 16.285 6.289 1.00 0.00 C ATOM 976 O SER A 66 -12.294 15.391 6.412 1.00 0.00 O ATOM 977 CB SER A 66 -11.903 18.015 4.474 1.00 0.00 C ATOM 978 OG SER A 66 -11.822 18.168 3.068 1.00 0.00 O ATOM 0 H SER A 66 -11.871 16.048 3.133 1.00 0.00 H new ATOM 0 HA SER A 66 -10.017 17.102 4.967 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.941 17.877 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.542 18.915 4.972 1.00 0.00 H new ATOM 0 HG SER A 66 -10.892 18.055 2.780 1.00 0.00 H new ATOM 984 N ALA A 67 -10.841 16.874 7.329 1.00 0.00 N ATOM 985 CA ALA A 67 -11.051 16.539 8.740 1.00 0.00 C ATOM 986 C ALA A 67 -12.526 16.262 9.044 1.00 0.00 C ATOM 987 O ALA A 67 -12.853 15.301 9.732 1.00 0.00 O ATOM 988 CB ALA A 67 -10.532 17.678 9.621 1.00 0.00 C ATOM 0 H ALA A 67 -10.163 17.625 7.202 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.497 15.626 8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.689 17.427 10.670 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.467 17.823 9.438 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -11.070 18.596 9.383 1.00 0.00 H new ATOM 994 N GLU A 68 -13.385 17.115 8.479 1.00 0.00 N ATOM 995 CA GLU A 68 -14.835 17.007 8.409 1.00 0.00 C ATOM 996 C GLU A 68 -15.341 15.561 8.428 1.00 0.00 C ATOM 997 O GLU A 68 -16.149 15.205 9.281 1.00 0.00 O ATOM 998 CB GLU A 68 -15.322 17.704 7.130 1.00 0.00 C ATOM 999 CG GLU A 68 -14.809 19.147 6.999 1.00 0.00 C ATOM 1000 CD GLU A 68 -15.479 19.859 5.828 1.00 0.00 C ATOM 1001 OE1 GLU A 68 -14.977 19.675 4.699 1.00 0.00 O ATOM 1002 OE2 GLU A 68 -16.480 20.561 6.085 1.00 0.00 O ATOM 0 H GLU A 68 -13.052 17.965 8.024 1.00 0.00 H new ATOM 0 HA GLU A 68 -15.238 17.487 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.997 17.129 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.412 17.709 7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.006 19.692 7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.728 19.141 6.856 1.00 0.00 H new ATOM 1009 N ASP A 69 -14.900 14.739 7.469 1.00 0.00 N ATOM 1010 CA ASP A 69 -15.316 13.343 7.409 1.00 0.00 C ATOM 1011 C ASP A 69 -14.467 12.537 8.379 1.00 0.00 C ATOM 1012 O ASP A 69 -14.985 11.829 9.242 1.00 0.00 O ATOM 1013 CB ASP A 69 -15.159 12.786 5.989 1.00 0.00 C ATOM 1014 CG ASP A 69 -15.528 11.302 5.939 1.00 0.00 C ATOM 1015 OD1 ASP A 69 -14.618 10.472 6.165 1.00 0.00 O ATOM 1016 OD2 ASP A 69 -16.718 11.024 5.680 1.00 0.00 O ATOM 0 H ASP A 69 -14.257 15.020 6.728 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.368 13.272 7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.794 13.346 5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.131 12.920 5.653 1.00 0.00 H new ATOM 1021 N CYS A 70 -13.149 12.633 8.185 1.00 0.00 N ATOM 1022 CA CYS A 70 -12.161 11.813 8.864 1.00 0.00 C ATOM 1023 C CYS A 70 -12.444 11.696 10.361 1.00 0.00 C ATOM 1024 O CYS A 70 -12.523 10.589 10.882 1.00 0.00 O ATOM 1025 CB CYS A 70 -10.756 12.368 8.614 1.00 0.00 C ATOM 1026 SG CYS A 70 -9.596 11.912 9.918 1.00 0.00 S ATOM 0 H CYS A 70 -12.737 13.301 7.534 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.223 10.806 8.451 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.387 11.998 7.657 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.805 13.454 8.538 1.00 0.00 H new ATOM 1031 N GLU A 71 -12.586 12.829 11.053 1.00 0.00 N ATOM 1032 CA GLU A 71 -12.685 12.839 12.504 1.00 0.00 C ATOM 1033 C GLU A 71 -13.941 12.127 13.012 1.00 0.00 C ATOM 1034 O GLU A 71 -13.989 11.761 14.184 1.00 0.00 O ATOM 1035 CB GLU A 71 -12.528 14.263 13.049 1.00 0.00 C ATOM 1036 CG GLU A 71 -11.094 14.781 12.838 1.00 0.00 C ATOM 1037 CD GLU A 71 -10.063 13.953 13.608 1.00 0.00 C ATOM 1038 OE1 GLU A 71 -10.016 14.107 14.847 1.00 0.00 O ATOM 1039 OE2 GLU A 71 -9.358 13.150 12.955 1.00 0.00 O ATOM 0 H GLU A 71 -12.635 13.753 10.624 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.854 12.255 12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.235 14.927 12.551 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.771 14.278 14.111 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.854 14.760 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.034 15.821 13.158 1.00 0.00 H new ATOM 1046 N LEU A 72 -14.943 11.920 12.152 1.00 0.00 N ATOM 1047 CA LEU A 72 -16.069 11.064 12.464 1.00 0.00 C ATOM 1048 C LEU A 72 -15.702 9.644 12.039 1.00 0.00 C ATOM 1049 O LEU A 72 -15.638 8.748 12.875 1.00 0.00 O ATOM 1050 CB LEU A 72 -17.337 11.560 11.753 1.00 0.00 C ATOM 1051 CG LEU A 72 -18.010 12.730 12.488 1.00 0.00 C ATOM 1052 CD1 LEU A 72 -17.146 13.994 12.548 1.00 0.00 C ATOM 1053 CD2 LEU A 72 -19.338 13.055 11.795 1.00 0.00 C ATOM 0 H LEU A 72 -14.987 12.344 11.225 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.284 11.082 13.532 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.082 11.871 10.740 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -18.045 10.736 11.665 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.167 12.411 13.519 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.684 14.778 13.081 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.215 13.774 13.070 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -16.923 14.331 11.536 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -19.823 13.884 12.309 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -19.149 13.332 10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -19.987 12.180 11.824 1.00 0.00 H new ATOM 1065 N ASP A 73 -15.471 9.450 10.736 1.00 0.00 N ATOM 1066 CA ASP A 73 -15.286 8.167 10.066 1.00 0.00 C ATOM 1067 C ASP A 73 -16.427 7.181 10.335 1.00 0.00 C ATOM 1068 O ASP A 73 -17.215 6.885 9.441 1.00 0.00 O ATOM 1069 CB ASP A 73 -13.924 7.543 10.400 1.00 0.00 C ATOM 1070 CG ASP A 73 -13.814 6.165 9.754 1.00 0.00 C ATOM 1071 OD1 ASP A 73 -13.914 6.128 8.509 1.00 0.00 O ATOM 1072 OD2 ASP A 73 -13.702 5.175 10.508 1.00 0.00 O ATOM 0 H ASP A 73 -15.405 10.234 10.086 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.306 8.381 8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.121 8.187 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.808 7.459 11.480 1.00 0.00 H new ATOM 1077 N ASN A 74 -16.474 6.636 11.547 1.00 0.00 N ATOM 1078 CA ASN A 74 -17.404 5.612 11.975 1.00 0.00 C ATOM 1079 C ASN A 74 -17.752 5.862 13.439 1.00 0.00 C ATOM 1080 O ASN A 74 -16.962 5.561 14.333 1.00 0.00 O ATOM 1081 CB ASN A 74 -16.764 4.236 11.787 1.00 0.00 C ATOM 1082 CG ASN A 74 -17.690 3.113 12.248 1.00 0.00 C ATOM 1083 OD1 ASN A 74 -18.778 3.351 12.768 1.00 0.00 O ATOM 1084 ND2 ASN A 74 -17.267 1.867 12.061 1.00 0.00 N ATOM 0 H ASN A 74 -15.831 6.914 12.288 1.00 0.00 H new ATOM 0 HA ASN A 74 -18.318 5.644 11.381 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.513 4.092 10.736 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.830 4.190 12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.850 1.082 12.351 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.360 1.696 11.627 1.00 0.00 H new ATOM 1091 N MET A 75 -18.961 6.372 13.673 1.00 0.00 N ATOM 1092 CA MET A 75 -19.482 6.708 14.990 1.00 0.00 C ATOM 1093 C MET A 75 -19.542 5.503 15.940 1.00 0.00 C ATOM 1094 O MET A 75 -19.678 5.697 17.145 1.00 0.00 O ATOM 1095 CB MET A 75 -20.858 7.380 14.855 1.00 0.00 C ATOM 1096 CG MET A 75 -20.797 8.793 14.249 1.00 0.00 C ATOM 1097 SD MET A 75 -20.406 8.966 12.485 1.00 0.00 S ATOM 1098 CE MET A 75 -21.860 8.202 11.734 1.00 0.00 C ATOM 0 H MET A 75 -19.624 6.568 12.923 1.00 0.00 H new ATOM 0 HA MET A 75 -18.783 7.410 15.444 1.00 0.00 H new ATOM 0 HB2 MET A 75 -21.499 6.755 14.234 1.00 0.00 H new ATOM 0 HB3 MET A 75 -21.324 7.436 15.839 1.00 0.00 H new ATOM 0 HG2 MET A 75 -21.762 9.269 14.422 1.00 0.00 H new ATOM 0 HG3 MET A 75 -20.055 9.362 14.810 1.00 0.00 H new ATOM 0 HE1 MET A 75 -21.827 8.342 10.654 1.00 0.00 H new ATOM 0 HE2 MET A 75 -21.869 7.136 11.962 1.00 0.00 H new ATOM 0 HE3 MET A 75 -22.762 8.666 12.133 1.00 0.00 H new ATOM 1108 N ASP A 76 -19.420 4.268 15.436 1.00 0.00 N ATOM 1109 CA ASP A 76 -19.258 3.103 16.300 1.00 0.00 C ATOM 1110 C ASP A 76 -17.999 3.222 17.169 1.00 0.00 C ATOM 1111 O ASP A 76 -17.944 2.636 18.250 1.00 0.00 O ATOM 1112 CB ASP A 76 -19.197 1.827 15.452 1.00 0.00 C ATOM 1113 CG ASP A 76 -19.178 0.571 16.319 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -20.144 0.401 17.092 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -18.213 -0.208 16.173 1.00 0.00 O ATOM 0 H ASP A 76 -19.431 4.056 14.438 1.00 0.00 H new ATOM 0 HA ASP A 76 -20.120 3.053 16.966 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -20.057 1.794 14.783 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -18.306 1.849 14.825 1.00 0.00 H new ATOM 1120 N PHE A 77 -16.991 3.958 16.683 1.00 0.00 N ATOM 1121 CA PHE A 77 -15.731 4.179 17.373 1.00 0.00 C ATOM 1122 C PHE A 77 -15.597 5.650 17.779 1.00 0.00 C ATOM 1123 O PHE A 77 -16.405 6.132 18.570 1.00 0.00 O ATOM 1124 CB PHE A 77 -14.579 3.645 16.520 1.00 0.00 C ATOM 1125 CG PHE A 77 -14.718 2.173 16.189 1.00 0.00 C ATOM 1126 CD1 PHE A 77 -14.436 1.205 17.170 1.00 0.00 C ATOM 1127 CD2 PHE A 77 -15.171 1.769 14.919 1.00 0.00 C ATOM 1128 CE1 PHE A 77 -14.586 -0.160 16.880 1.00 0.00 C ATOM 1129 CE2 PHE A 77 -15.328 0.402 14.630 1.00 0.00 C ATOM 1130 CZ PHE A 77 -15.038 -0.562 15.610 1.00 0.00 C ATOM 0 H PHE A 77 -17.039 4.424 15.777 1.00 0.00 H new ATOM 0 HA PHE A 77 -15.699 3.620 18.308 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -14.526 4.216 15.593 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -13.639 3.806 17.048 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -14.103 1.513 18.150 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -15.398 2.509 14.166 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -14.355 -0.901 17.631 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -15.672 0.093 13.654 1.00 0.00 H new ATOM 0 HZ PHE A 77 -15.162 -1.612 15.388 1.00 0.00 H new ATOM 1140 N ILE A 78 -14.575 6.360 17.284 1.00 0.00 N ATOM 1141 CA ILE A 78 -14.214 7.718 17.691 1.00 0.00 C ATOM 1142 C ILE A 78 -13.685 7.717 19.126 1.00 0.00 C ATOM 1143 O ILE A 78 -12.511 7.997 19.335 1.00 0.00 O ATOM 1144 CB ILE A 78 -15.344 8.752 17.482 1.00 0.00 C ATOM 1145 CG1 ILE A 78 -15.878 8.700 16.041 1.00 0.00 C ATOM 1146 CG2 ILE A 78 -14.808 10.162 17.789 1.00 0.00 C ATOM 1147 CD1 ILE A 78 -17.083 9.620 15.822 1.00 0.00 C ATOM 0 H ILE A 78 -13.956 5.988 16.563 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.415 8.047 17.027 1.00 0.00 H new ATOM 0 HB ILE A 78 -16.165 8.513 18.158 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.081 8.982 15.353 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -16.160 7.675 15.799 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -15.603 10.893 17.642 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -14.463 10.203 18.822 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.978 10.389 17.120 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -17.417 9.542 14.787 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -17.893 9.323 16.488 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -16.797 10.650 16.034 1.00 0.00 H new ATOM 1159 N TYR A 79 -14.546 7.423 20.106 1.00 0.00 N ATOM 1160 CA TYR A 79 -14.231 7.362 21.530 1.00 0.00 C ATOM 1161 C TYR A 79 -13.350 8.537 21.988 1.00 0.00 C ATOM 1162 O TYR A 79 -12.137 8.382 22.128 1.00 0.00 O ATOM 1163 CB TYR A 79 -13.594 6.007 21.875 1.00 0.00 C ATOM 1164 CG TYR A 79 -14.354 4.754 21.469 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -15.759 4.745 21.354 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -13.635 3.564 21.248 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -16.425 3.585 20.928 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -14.310 2.393 20.861 1.00 0.00 C ATOM 1169 CZ TYR A 79 -15.697 2.416 20.651 1.00 0.00 C ATOM 1170 OH TYR A 79 -16.305 1.363 20.037 1.00 0.00 O ATOM 0 H TYR A 79 -15.526 7.212 19.915 1.00 0.00 H new ATOM 0 HA TYR A 79 -15.167 7.455 22.080 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.609 5.969 21.410 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -13.439 5.972 22.953 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -16.325 5.633 21.594 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.563 3.551 21.376 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -17.499 3.591 20.813 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.760 1.474 20.725 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.019 1.693 19.452 1.00 0.00 H new ATOM 1180 N PRO A 80 -13.950 9.714 22.239 1.00 0.00 N ATOM 1181 CA PRO A 80 -13.253 10.883 22.754 1.00 0.00 C ATOM 1182 C PRO A 80 -12.310 10.530 23.907 1.00 0.00 C ATOM 1183 O PRO A 80 -12.653 9.715 24.761 1.00 0.00 O ATOM 1184 CB PRO A 80 -14.356 11.847 23.199 1.00 0.00 C ATOM 1185 CG PRO A 80 -15.497 11.515 22.239 1.00 0.00 C ATOM 1186 CD PRO A 80 -15.369 10.000 22.084 1.00 0.00 C ATOM 0 HA PRO A 80 -12.611 11.328 21.994 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.641 11.685 24.239 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -14.044 12.888 23.113 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.467 11.801 22.647 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.388 12.031 21.285 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.960 9.477 22.836 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.732 9.673 21.110 1.00 0.00 H new ATOM 1194 N GLY A 81 -11.109 11.111 23.925 1.00 0.00 N ATOM 1195 CA GLY A 81 -10.084 10.778 24.903 1.00 0.00 C ATOM 1196 C GLY A 81 -9.850 9.267 24.986 1.00 0.00 C ATOM 1197 O GLY A 81 -9.770 8.715 26.082 1.00 0.00 O ATOM 0 H GLY A 81 -10.824 11.827 23.257 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.152 11.277 24.637 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.379 11.155 25.882 1.00 0.00 H new ATOM 1201 N THR A 82 -9.741 8.603 23.832 1.00 0.00 N ATOM 1202 CA THR A 82 -9.493 7.177 23.624 1.00 0.00 C ATOM 1203 C THR A 82 -10.623 6.248 24.086 1.00 0.00 C ATOM 1204 O THR A 82 -10.980 5.325 23.355 1.00 0.00 O ATOM 1205 CB THR A 82 -8.107 6.731 24.127 1.00 0.00 C ATOM 1206 OG1 THR A 82 -7.985 6.786 25.534 1.00 0.00 O ATOM 1207 CG2 THR A 82 -6.994 7.570 23.494 1.00 0.00 C ATOM 0 H THR A 82 -9.832 9.094 22.943 1.00 0.00 H new ATOM 0 HA THR A 82 -9.484 7.064 22.540 1.00 0.00 H new ATOM 0 HB THR A 82 -8.004 5.689 23.823 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.760 7.252 25.912 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.027 7.233 23.867 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.024 7.456 22.410 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.137 8.619 23.753 1.00 0.00 H new ATOM 1215 N ARG A 83 -11.154 6.440 25.299 1.00 0.00 N ATOM 1216 CA ARG A 83 -12.104 5.536 25.943 1.00 0.00 C ATOM 1217 C ARG A 83 -13.265 6.299 26.596 1.00 0.00 C ATOM 1218 O ARG A 83 -13.949 5.750 27.455 1.00 0.00 O ATOM 1219 CB ARG A 83 -11.341 4.682 26.971 1.00 0.00 C ATOM 1220 CG ARG A 83 -10.591 3.520 26.301 1.00 0.00 C ATOM 1221 CD ARG A 83 -9.316 3.155 27.064 1.00 0.00 C ATOM 1222 NE ARG A 83 -8.293 4.189 26.857 1.00 0.00 N ATOM 1223 CZ ARG A 83 -6.970 3.991 26.873 1.00 0.00 C ATOM 1224 NH1 ARG A 83 -6.438 2.850 27.320 1.00 0.00 N ATOM 1225 NH2 ARG A 83 -6.179 4.954 26.398 1.00 0.00 N ATOM 0 H ARG A 83 -10.926 7.252 25.873 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.554 4.889 25.190 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.632 5.310 27.511 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.041 4.287 27.707 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.244 2.649 26.246 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.337 3.793 25.277 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.534 3.056 28.127 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.943 2.189 26.724 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.620 5.140 26.686 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.044 2.104 27.660 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.426 2.725 27.321 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.586 5.816 26.034 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.167 4.829 26.398 1.00 0.00 H new ATOM 1239 N ASN A 84 -13.510 7.553 26.198 1.00 0.00 N ATOM 1240 CA ASN A 84 -14.582 8.386 26.739 1.00 0.00 C ATOM 1241 C ASN A 84 -14.571 8.420 28.277 1.00 0.00 C ATOM 1242 O ASN A 84 -15.571 8.075 28.910 1.00 0.00 O ATOM 1243 CB ASN A 84 -15.929 7.947 26.143 1.00 0.00 C ATOM 1244 CG ASN A 84 -16.988 9.042 26.251 1.00 0.00 C ATOM 1245 OD1 ASN A 84 -17.351 9.656 25.252 1.00 0.00 O ATOM 1246 ND2 ASN A 84 -17.493 9.306 27.450 1.00 0.00 N ATOM 0 H ASN A 84 -12.958 8.022 25.479 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.414 9.420 26.439 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.791 7.678 25.096 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -16.279 7.053 26.658 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.200 10.034 27.557 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.174 8.781 28.264 1.00 0.00 H new ATOM 1253 N PRO A 85 -13.460 8.845 28.900 1.00 0.00 N ATOM 1254 CA PRO A 85 -13.372 8.965 30.347 1.00 0.00 C ATOM 1255 C PRO A 85 -14.323 10.050 30.863 1.00 0.00 C ATOM 1256 O PRO A 85 -14.558 11.022 30.110 1.00 0.00 O ATOM 1257 CB PRO A 85 -11.906 9.306 30.637 1.00 0.00 C ATOM 1258 CG PRO A 85 -11.461 10.038 29.371 1.00 0.00 C ATOM 1259 CD PRO A 85 -12.231 9.307 28.272 1.00 0.00 C ATOM 1260 OXT PRO A 85 -14.784 9.895 32.015 1.00 0.00 O ATOM 0 HA PRO A 85 -13.670 8.047 30.854 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -11.806 9.935 31.522 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -11.311 8.410 30.814 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.714 11.098 29.406 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.383 9.972 29.223 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.444 9.971 27.434 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.653 8.471 27.878 1.00 0.00 H new TER 1268 PRO A 85