USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 17 SER OG : rot -88:sc= 1.04 USER MOD Set 1.2: A 18 ASN : amide:sc= 0.29 K(o=1.3,f=-2.4!) USER MOD Single : A 1 TYR N :NH3+ -157:sc= 1.24 (180deg=0.827) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0.131 K(o=0.13,f=-2.3!) USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= 0.717 (180deg=0.714) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.0907 K(o=0.091,f=-4.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 35:sc= 0.963 USER MOD Single : A 43 HIS : no HE2:sc= 0.799 K(o=0.8,f=-2.5!) USER MOD Single : A 44 THR OG1 : rot -28:sc= 0.315 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -31:sc= 1.28 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.81 K(o=0.81,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -0.436 8.620 1.095 1.00 0.00 N ATOM 2 CA TYR A 1 0.236 8.669 2.424 1.00 0.00 C ATOM 3 C TYR A 1 -0.270 7.568 3.428 1.00 0.00 C ATOM 4 O TYR A 1 0.504 6.671 3.764 1.00 0.00 O ATOM 5 CB TYR A 1 0.178 10.132 2.961 1.00 0.00 C ATOM 6 CG TYR A 1 0.933 10.340 4.292 1.00 0.00 C ATOM 7 CD1 TYR A 1 2.332 10.318 4.326 1.00 0.00 C ATOM 8 CD2 TYR A 1 0.220 10.523 5.482 1.00 0.00 C ATOM 9 CE1 TYR A 1 3.005 10.466 5.537 1.00 0.00 C ATOM 10 CE2 TYR A 1 0.898 10.674 6.691 1.00 0.00 C ATOM 11 CZ TYR A 1 2.290 10.645 6.716 1.00 0.00 C ATOM 12 OH TYR A 1 2.963 10.792 7.898 1.00 0.00 O ATOM 0 H1 TYR A 1 0.172 9.070 0.382 1.00 0.00 H new ATOM 0 H2 TYR A 1 -0.607 7.629 0.829 1.00 0.00 H new ATOM 0 H3 TYR A 1 -1.343 9.126 1.146 1.00 0.00 H new ATOM 0 HA TYR A 1 1.286 8.402 2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.596 10.801 2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -0.865 10.417 3.098 1.00 0.00 H new ATOM 0 HD1 TYR A 1 2.891 10.186 3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -0.860 10.547 5.464 1.00 0.00 H new ATOM 0 HE1 TYR A 1 4.084 10.442 5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 1 0.344 10.813 7.607 1.00 0.00 H new ATOM 0 HH TYR A 1 2.320 10.909 8.628 1.00 0.00 H new ATOM 13 N ASN A 2 -1.516 7.648 3.946 1.00 0.00 N ATOM 14 CA ASN A 2 -1.912 6.843 5.147 1.00 0.00 C ATOM 15 C ASN A 2 -2.305 5.346 4.876 1.00 0.00 C ATOM 16 O ASN A 2 -1.660 4.441 5.409 1.00 0.00 O ATOM 17 CB ASN A 2 -2.961 7.640 5.991 1.00 0.00 C ATOM 18 CG ASN A 2 -4.310 7.991 5.326 1.00 0.00 C ATOM 19 OD1 ASN A 2 -4.556 7.759 4.145 1.00 0.00 O ATOM 20 ND2 ASN A 2 -5.214 8.569 6.078 1.00 0.00 N ATOM 0 H ASN A 2 -2.255 8.242 3.571 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.009 6.714 5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.173 7.064 6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.494 8.571 6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.119 8.825 5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.013 8.763 7.059 1.00 0.00 H new ATOM 21 N ARG A 3 -3.370 5.078 4.096 1.00 0.00 N ATOM 22 CA ARG A 3 -3.951 3.696 4.011 1.00 0.00 C ATOM 23 C ARG A 3 -3.124 2.670 3.157 1.00 0.00 C ATOM 24 O ARG A 3 -2.976 1.517 3.569 1.00 0.00 O ATOM 25 CB ARG A 3 -5.424 3.783 3.509 1.00 0.00 C ATOM 26 CG ARG A 3 -6.402 4.464 4.505 1.00 0.00 C ATOM 27 CD ARG A 3 -7.846 4.481 3.971 1.00 0.00 C ATOM 28 NE ARG A 3 -8.744 5.132 4.970 1.00 0.00 N ATOM 29 CZ ARG A 3 -10.059 5.312 4.787 1.00 0.00 C ATOM 30 NH1 ARG A 3 -10.687 4.938 3.696 1.00 0.00 N ATOM 31 NH2 ARG A 3 -10.746 5.885 5.733 1.00 0.00 N ATOM 0 H ARG A 3 -3.847 5.773 3.522 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.912 3.292 5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.442 4.332 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.783 2.776 3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.374 3.937 5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.073 5.486 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.888 5.020 3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.183 3.463 3.773 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.332 5.459 5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.171 4.488 2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.690 5.098 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.282 6.186 6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.749 6.033 5.617 1.00 0.00 H new ATOM 32 N LEU A 4 -2.622 3.065 1.969 1.00 0.00 N ATOM 33 CA LEU A 4 -1.927 2.115 1.046 1.00 0.00 C ATOM 34 C LEU A 4 -0.422 1.868 1.439 1.00 0.00 C ATOM 35 O LEU A 4 -0.026 0.723 1.671 1.00 0.00 O ATOM 36 CB LEU A 4 -2.144 2.656 -0.408 1.00 0.00 C ATOM 37 CG LEU A 4 -1.925 1.685 -1.604 1.00 0.00 C ATOM 38 CD1 LEU A 4 -0.485 1.169 -1.717 1.00 0.00 C ATOM 39 CD2 LEU A 4 -2.915 0.505 -1.603 1.00 0.00 C ATOM 0 H LEU A 4 -2.678 4.022 1.620 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.355 1.115 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.164 3.035 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.478 3.508 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.122 2.293 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.405 0.498 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.194 2.011 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.219 0.631 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.715 -0.139 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.797 -0.068 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.935 0.885 -1.665 1.00 0.00 H new ATOM 40 N CYS A 5 0.411 2.929 1.500 1.00 0.00 N ATOM 41 CA CYS A 5 1.878 2.779 1.765 1.00 0.00 C ATOM 42 C CYS A 5 2.336 2.791 3.275 1.00 0.00 C ATOM 43 O CYS A 5 3.488 3.122 3.573 1.00 0.00 O ATOM 44 CB CYS A 5 2.558 3.902 0.963 1.00 0.00 C ATOM 45 SG CYS A 5 1.957 5.490 1.549 1.00 0.00 S ATOM 0 H CYS A 5 0.107 3.894 1.372 1.00 0.00 H new ATOM 0 HA CYS A 5 2.173 1.777 1.455 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.640 3.844 1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.344 3.788 -0.100 1.00 0.00 H new ATOM 46 N ILE A 6 1.480 2.338 4.208 1.00 0.00 N ATOM 47 CA ILE A 6 1.922 1.951 5.588 1.00 0.00 C ATOM 48 C ILE A 6 1.599 0.421 5.720 1.00 0.00 C ATOM 49 O ILE A 6 0.499 -0.025 5.374 1.00 0.00 O ATOM 50 CB ILE A 6 1.244 2.853 6.690 1.00 0.00 C ATOM 51 CG1 ILE A 6 1.646 4.358 6.528 1.00 0.00 C ATOM 52 CG2 ILE A 6 1.605 2.367 8.124 1.00 0.00 C ATOM 53 CD1 ILE A 6 0.921 5.337 7.473 1.00 0.00 C ATOM 0 H ILE A 6 0.479 2.226 4.047 1.00 0.00 H new ATOM 0 HA ILE A 6 2.988 2.117 5.745 1.00 0.00 H new ATOM 0 HB ILE A 6 0.167 2.763 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.720 4.450 6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.452 4.661 5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.121 3.011 8.859 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.261 1.341 8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.686 2.408 8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.269 6.352 7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.154 5.283 7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.134 5.069 8.508 1.00 0.00 H new ATOM 54 N LYS A 7 2.572 -0.388 6.203 1.00 0.00 N ATOM 55 CA LYS A 7 2.430 -1.879 6.206 1.00 0.00 C ATOM 56 C LYS A 7 1.226 -2.368 7.105 1.00 0.00 C ATOM 57 O LYS A 7 1.284 -2.165 8.325 1.00 0.00 O ATOM 58 CB LYS A 7 3.780 -2.503 6.666 1.00 0.00 C ATOM 59 CG LYS A 7 3.913 -4.023 6.357 1.00 0.00 C ATOM 60 CD LYS A 7 4.294 -4.922 7.562 1.00 0.00 C ATOM 61 CE LYS A 7 3.111 -5.422 8.427 1.00 0.00 C ATOM 62 NZ LYS A 7 2.611 -4.389 9.375 1.00 0.00 N ATOM 0 H LYS A 7 3.452 -0.049 6.591 1.00 0.00 H new ATOM 0 HA LYS A 7 2.196 -2.213 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.598 -1.971 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.892 -2.350 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.966 -4.376 5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.665 -4.153 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.838 -5.789 7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.980 -4.368 8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.296 -5.734 7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.424 -6.302 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.832 -4.784 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.383 -4.096 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.269 -3.565 8.841 1.00 0.00 H new ATOM 63 N PRO A 8 0.134 -2.999 6.573 1.00 0.00 N ATOM 64 CA PRO A 8 -1.136 -3.138 7.342 1.00 0.00 C ATOM 65 C PRO A 8 -1.183 -4.335 8.348 1.00 0.00 C ATOM 66 O PRO A 8 -0.308 -5.209 8.389 1.00 0.00 O ATOM 67 CB PRO A 8 -2.162 -3.267 6.190 1.00 0.00 C ATOM 68 CG PRO A 8 -1.396 -3.939 5.052 1.00 0.00 C ATOM 69 CD PRO A 8 -0.013 -3.300 5.130 1.00 0.00 C ATOM 0 HA PRO A 8 -1.311 -2.305 8.022 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.023 -3.864 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.541 -2.291 5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.347 -5.020 5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.869 -3.757 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.765 -3.977 4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.050 -2.398 4.521 1.00 0.00 H new ATOM 70 N ARG A 9 -2.265 -4.363 9.152 1.00 0.00 N ATOM 71 CA ARG A 9 -2.585 -5.548 10.009 1.00 0.00 C ATOM 72 C ARG A 9 -3.072 -6.820 9.213 1.00 0.00 C ATOM 73 O ARG A 9 -2.846 -7.945 9.675 1.00 0.00 O ATOM 74 CB ARG A 9 -3.596 -5.076 11.100 1.00 0.00 C ATOM 75 CG ARG A 9 -3.835 -6.084 12.258 1.00 0.00 C ATOM 76 CD ARG A 9 -4.991 -7.079 11.998 1.00 0.00 C ATOM 77 NE ARG A 9 -5.022 -8.143 13.046 1.00 0.00 N ATOM 78 CZ ARG A 9 -4.299 -9.273 12.996 1.00 0.00 C ATOM 79 NH1 ARG A 9 -3.463 -9.554 12.020 1.00 0.00 N ATOM 80 NH2 ARG A 9 -4.428 -10.133 13.965 1.00 0.00 N ATOM 0 H ARG A 9 -2.931 -3.595 9.234 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.667 -5.904 10.476 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.237 -4.138 11.524 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.552 -4.864 10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.918 -6.646 12.432 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.046 -5.528 13.172 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.941 -6.545 11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.871 -7.534 11.015 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.632 -8.002 13.851 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.339 -8.897 11.250 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.939 -10.429 12.034 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.066 -9.940 14.737 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.891 -11.000 13.952 1.00 0.00 H new ATOM 81 N ASP A 10 -3.724 -6.658 8.036 1.00 0.00 N ATOM 82 CA ASP A 10 -4.068 -7.808 7.144 1.00 0.00 C ATOM 83 C ASP A 10 -2.779 -8.320 6.409 1.00 0.00 C ATOM 84 O ASP A 10 -2.404 -7.840 5.334 1.00 0.00 O ATOM 85 CB ASP A 10 -5.168 -7.368 6.136 1.00 0.00 C ATOM 86 CG ASP A 10 -6.519 -7.050 6.781 1.00 0.00 C ATOM 87 OD1 ASP A 10 -7.309 -8.153 6.892 1.00 0.00 O ATOM 88 OD2 ASP A 10 -6.845 -5.930 7.159 1.00 0.00 O ATOM 0 H ASP A 10 -4.023 -5.751 7.678 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.460 -8.635 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.819 -6.487 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.307 -8.159 5.399 1.00 0.00 H new ATOM 89 N TRP A 11 -2.081 -9.264 7.064 1.00 0.00 N ATOM 90 CA TRP A 11 -0.705 -9.654 6.660 1.00 0.00 C ATOM 91 C TRP A 11 -0.493 -11.140 7.099 1.00 0.00 C ATOM 92 O TRP A 11 -0.238 -11.417 8.277 1.00 0.00 O ATOM 93 CB TRP A 11 0.276 -8.656 7.355 1.00 0.00 C ATOM 94 CG TRP A 11 1.714 -8.738 6.840 1.00 0.00 C ATOM 95 CD1 TRP A 11 2.722 -9.603 7.318 1.00 0.00 C ATOM 96 CD2 TRP A 11 2.285 -8.022 5.812 1.00 0.00 C ATOM 97 NE1 TRP A 11 3.919 -9.447 6.576 1.00 0.00 N ATOM 98 CE2 TRP A 11 3.610 -8.454 5.656 1.00 0.00 C ATOM 99 CE3 TRP A 11 1.730 -7.046 4.946 1.00 0.00 C ATOM 100 CZ2 TRP A 11 4.418 -7.925 4.629 1.00 0.00 C ATOM 101 CZ3 TRP A 11 2.542 -6.526 3.933 1.00 0.00 C ATOM 102 CH2 TRP A 11 3.872 -6.955 3.780 1.00 0.00 C ATOM 0 H TRP A 11 -2.439 -9.773 7.872 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.530 -9.601 5.585 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.093 -7.640 7.212 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.274 -8.848 8.428 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.597 -10.292 8.140 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.801 -9.947 6.691 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.709 -6.714 5.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.436 -8.261 4.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.141 -5.784 3.258 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.481 -6.530 2.996 1.00 0.00 H new ATOM 103 N ILE A 12 -0.656 -12.095 6.160 1.00 0.00 N ATOM 104 CA ILE A 12 -0.754 -13.551 6.528 1.00 0.00 C ATOM 105 C ILE A 12 0.683 -14.215 6.461 1.00 0.00 C ATOM 106 O ILE A 12 1.566 -13.789 7.212 1.00 0.00 O ATOM 107 CB ILE A 12 -1.939 -14.273 5.752 1.00 0.00 C ATOM 108 CG1 ILE A 12 -3.275 -13.451 5.712 1.00 0.00 C ATOM 109 CG2 ILE A 12 -2.245 -15.658 6.398 1.00 0.00 C ATOM 110 CD1 ILE A 12 -4.348 -14.002 4.753 1.00 0.00 C ATOM 0 H ILE A 12 -0.723 -11.906 5.160 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.058 -13.677 7.567 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.585 -14.377 4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.692 -13.415 6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.045 -12.425 5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.058 -16.140 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.355 -16.286 6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.536 -15.518 7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.234 -13.368 4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.956 -14.012 3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.614 -15.017 5.049 1.00 0.00 H new ATOM 111 N ASP A 13 0.925 -15.282 5.654 1.00 0.00 N ATOM 112 CA ASP A 13 2.135 -16.155 5.865 1.00 0.00 C ATOM 113 C ASP A 13 2.733 -16.798 4.565 1.00 0.00 C ATOM 114 O ASP A 13 3.938 -16.673 4.340 1.00 0.00 O ATOM 115 CB ASP A 13 1.824 -17.279 6.908 1.00 0.00 C ATOM 116 CG ASP A 13 1.710 -16.794 8.354 1.00 0.00 C ATOM 117 OD1 ASP A 13 2.675 -16.626 9.091 1.00 0.00 O ATOM 118 OD2 ASP A 13 0.418 -16.573 8.727 1.00 0.00 O ATOM 0 H ASP A 13 0.328 -15.561 4.875 1.00 0.00 H new ATOM 0 HA ASP A 13 2.902 -15.476 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.891 -17.768 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.608 -18.034 6.853 1.00 0.00 H new ATOM 119 N GLU A 14 1.949 -17.567 3.772 1.00 0.00 N ATOM 120 CA GLU A 14 2.532 -18.582 2.833 1.00 0.00 C ATOM 121 C GLU A 14 3.326 -17.972 1.616 1.00 0.00 C ATOM 122 O GLU A 14 2.746 -17.407 0.682 1.00 0.00 O ATOM 123 CB GLU A 14 1.360 -19.522 2.412 1.00 0.00 C ATOM 124 CG GLU A 14 1.726 -20.751 1.538 1.00 0.00 C ATOM 125 CD GLU A 14 2.751 -21.712 2.148 1.00 0.00 C ATOM 126 OE1 GLU A 14 2.278 -22.338 3.261 1.00 0.00 O ATOM 127 OE2 GLU A 14 3.870 -21.897 1.677 1.00 0.00 O ATOM 0 H GLU A 14 0.931 -17.514 3.755 1.00 0.00 H new ATOM 0 HA GLU A 14 3.312 -19.147 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.872 -19.883 3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.625 -18.927 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.814 -21.308 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.112 -20.394 0.583 1.00 0.00 H new ATOM 128 N CYS A 15 4.668 -18.108 1.668 1.00 0.00 N ATOM 129 CA CYS A 15 5.594 -17.434 0.717 1.00 0.00 C ATOM 130 C CYS A 15 6.188 -18.425 -0.337 1.00 0.00 C ATOM 131 O CYS A 15 7.074 -19.225 -0.020 1.00 0.00 O ATOM 132 CB CYS A 15 6.714 -16.820 1.592 1.00 0.00 C ATOM 133 SG CYS A 15 6.052 -15.519 2.653 1.00 0.00 S ATOM 0 H CYS A 15 5.143 -18.683 2.364 1.00 0.00 H new ATOM 0 HA CYS A 15 5.066 -16.678 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.172 -17.597 2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.499 -16.412 0.954 1.00 0.00 H new ATOM 134 N ASP A 16 5.709 -18.360 -1.599 1.00 0.00 N ATOM 135 CA ASP A 16 6.182 -19.304 -2.664 1.00 0.00 C ATOM 136 C ASP A 16 6.409 -18.556 -4.024 1.00 0.00 C ATOM 137 O ASP A 16 5.524 -18.506 -4.885 1.00 0.00 O ATOM 138 CB ASP A 16 5.178 -20.487 -2.828 1.00 0.00 C ATOM 139 CG ASP A 16 5.111 -21.427 -1.623 1.00 0.00 C ATOM 140 OD1 ASP A 16 4.200 -21.006 -0.705 1.00 0.00 O ATOM 141 OD2 ASP A 16 5.804 -22.431 -1.498 1.00 0.00 O ATOM 0 H ASP A 16 5.011 -17.685 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 16 7.143 -19.715 -2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.183 -20.081 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.456 -21.065 -3.710 1.00 0.00 H new ATOM 142 N SER A 17 7.629 -18.010 -4.222 1.00 0.00 N ATOM 143 CA SER A 17 8.088 -17.545 -5.571 1.00 0.00 C ATOM 144 C SER A 17 9.658 -17.506 -5.579 1.00 0.00 C ATOM 145 O SER A 17 10.295 -18.536 -5.808 1.00 0.00 O ATOM 146 CB SER A 17 7.382 -16.229 -6.031 1.00 0.00 C ATOM 147 OG SER A 17 7.706 -15.123 -5.189 1.00 0.00 O ATOM 0 H SER A 17 8.315 -17.877 -3.479 1.00 0.00 H new ATOM 0 HA SER A 17 7.779 -18.256 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.674 -16.001 -7.056 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.302 -16.379 -6.032 1.00 0.00 H new ATOM 0 HG SER A 17 7.072 -15.084 -4.442 1.00 0.00 H new ATOM 148 N ASN A 18 10.270 -16.341 -5.285 1.00 0.00 N ATOM 149 CA ASN A 18 11.737 -16.233 -5.014 1.00 0.00 C ATOM 150 C ASN A 18 11.984 -16.106 -3.467 1.00 0.00 C ATOM 151 O ASN A 18 12.396 -17.079 -2.831 1.00 0.00 O ATOM 152 CB ASN A 18 12.384 -15.128 -5.918 1.00 0.00 C ATOM 153 CG ASN A 18 11.876 -13.673 -5.776 1.00 0.00 C ATOM 154 OD1 ASN A 18 10.858 -13.377 -5.158 1.00 0.00 O ATOM 155 ND2 ASN A 18 12.586 -12.730 -6.343 1.00 0.00 N ATOM 0 H ASN A 18 9.776 -15.451 -5.227 1.00 0.00 H new ATOM 0 HA ASN A 18 12.261 -17.144 -5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.457 -15.126 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.249 -15.427 -6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.292 -11.756 -6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.433 -12.969 -6.858 1.00 0.00 H new ATOM 156 N GLU A 19 11.679 -14.943 -2.857 1.00 0.00 N ATOM 157 CA GLU A 19 11.564 -14.828 -1.373 1.00 0.00 C ATOM 158 C GLU A 19 10.256 -14.023 -1.076 1.00 0.00 C ATOM 159 O GLU A 19 10.288 -12.824 -0.794 1.00 0.00 O ATOM 160 CB GLU A 19 12.878 -14.200 -0.803 1.00 0.00 C ATOM 161 CG GLU A 19 13.074 -14.315 0.736 1.00 0.00 C ATOM 162 CD GLU A 19 12.188 -13.400 1.586 1.00 0.00 C ATOM 163 OE1 GLU A 19 12.446 -12.223 1.816 1.00 0.00 O ATOM 164 OE2 GLU A 19 11.086 -14.045 2.062 1.00 0.00 O ATOM 0 H GLU A 19 11.507 -14.071 -3.357 1.00 0.00 H new ATOM 0 HA GLU A 19 11.471 -15.790 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.727 -14.674 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.901 -13.145 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.888 -15.348 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.117 -14.099 0.969 1.00 0.00 H new ATOM 165 N GLY A 20 9.096 -14.702 -1.178 1.00 0.00 N ATOM 166 CA GLY A 20 7.774 -14.034 -1.036 1.00 0.00 C ATOM 167 C GLY A 20 6.965 -14.055 -2.346 1.00 0.00 C ATOM 168 O GLY A 20 6.672 -15.126 -2.886 1.00 0.00 O ATOM 0 H GLY A 20 9.041 -15.705 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.202 -14.528 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.923 -13.001 -0.720 1.00 0.00 H new ATOM 169 N GLY A 21 6.571 -12.873 -2.841 1.00 0.00 N ATOM 170 CA GLY A 21 5.730 -12.785 -4.068 1.00 0.00 C ATOM 171 C GLY A 21 5.030 -11.418 -4.190 1.00 0.00 C ATOM 172 O GLY A 21 4.375 -10.967 -3.249 1.00 0.00 O ATOM 0 H GLY A 21 6.810 -11.972 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.352 -12.954 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.980 -13.576 -4.051 1.00 0.00 H new ATOM 173 N GLU A 22 5.174 -10.770 -5.365 1.00 0.00 N ATOM 174 CA GLU A 22 4.666 -9.379 -5.608 1.00 0.00 C ATOM 175 C GLU A 22 5.497 -8.292 -4.831 1.00 0.00 C ATOM 176 O GLU A 22 5.727 -8.393 -3.622 1.00 0.00 O ATOM 177 CB GLU A 22 3.120 -9.250 -5.404 1.00 0.00 C ATOM 178 CG GLU A 22 2.496 -7.904 -5.862 1.00 0.00 C ATOM 179 CD GLU A 22 2.492 -7.690 -7.376 1.00 0.00 C ATOM 180 OE1 GLU A 22 3.641 -7.109 -7.823 1.00 0.00 O ATOM 181 OE2 GLU A 22 1.552 -7.997 -8.100 1.00 0.00 O ATOM 0 H GLU A 22 5.640 -11.181 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 22 4.829 -9.172 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.631 -10.060 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.897 -9.393 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.470 -7.851 -5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.043 -7.086 -5.394 1.00 0.00 H new ATOM 182 N ARG A 23 5.938 -7.243 -5.552 1.00 0.00 N ATOM 183 CA ARG A 23 6.764 -6.158 -4.943 1.00 0.00 C ATOM 184 C ARG A 23 5.865 -4.999 -4.394 1.00 0.00 C ATOM 185 O ARG A 23 5.041 -4.428 -5.117 1.00 0.00 O ATOM 186 CB ARG A 23 7.757 -5.598 -6.001 1.00 0.00 C ATOM 187 CG ARG A 23 8.847 -6.602 -6.473 1.00 0.00 C ATOM 188 CD ARG A 23 9.863 -6.030 -7.494 1.00 0.00 C ATOM 189 NE ARG A 23 9.232 -5.738 -8.824 1.00 0.00 N ATOM 190 CZ ARG A 23 8.762 -4.537 -9.189 1.00 0.00 C ATOM 191 NH1 ARG A 23 8.926 -3.457 -8.470 1.00 0.00 N ATOM 192 NH2 ARG A 23 8.098 -4.434 -10.303 1.00 0.00 N ATOM 0 H ARG A 23 5.744 -7.115 -6.545 1.00 0.00 H new ATOM 0 HA ARG A 23 7.319 -6.582 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.190 -5.265 -6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.249 -4.718 -5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.393 -6.959 -5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.355 -7.467 -6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.301 -5.116 -7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.678 -6.741 -7.629 1.00 0.00 H new ATOM 0 HE ARG A 23 9.156 -6.503 -9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.432 -3.505 -7.586 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.548 -2.567 -8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.943 -5.259 -10.882 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.733 -3.528 -10.597 1.00 0.00 H new ATOM 193 N ALA A 24 6.075 -4.647 -3.116 1.00 0.00 N ATOM 194 CA ALA A 24 5.413 -3.482 -2.476 1.00 0.00 C ATOM 195 C ALA A 24 6.447 -2.408 -2.022 1.00 0.00 C ATOM 196 O ALA A 24 7.567 -2.723 -1.600 1.00 0.00 O ATOM 197 CB ALA A 24 4.653 -4.003 -1.248 1.00 0.00 C ATOM 0 H ALA A 24 6.704 -5.154 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 24 4.744 -3.009 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.152 -3.172 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.912 -4.737 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.355 -4.470 -0.557 1.00 0.00 H new ATOM 198 N TYR A 25 6.033 -1.131 -2.064 1.00 0.00 N ATOM 199 CA TYR A 25 6.889 -0.008 -1.584 1.00 0.00 C ATOM 200 C TYR A 25 6.114 0.787 -0.488 1.00 0.00 C ATOM 201 O TYR A 25 5.263 1.635 -0.779 1.00 0.00 O ATOM 202 CB TYR A 25 7.327 0.885 -2.782 1.00 0.00 C ATOM 203 CG TYR A 25 8.378 0.227 -3.696 1.00 0.00 C ATOM 204 CD1 TYR A 25 9.731 0.206 -3.336 1.00 0.00 C ATOM 205 CD2 TYR A 25 7.978 -0.377 -4.889 1.00 0.00 C ATOM 206 CE1 TYR A 25 10.666 -0.415 -4.165 1.00 0.00 C ATOM 207 CE2 TYR A 25 8.910 -1.003 -5.707 1.00 0.00 C ATOM 208 CZ TYR A 25 10.252 -1.024 -5.348 1.00 0.00 C ATOM 209 OH TYR A 25 11.157 -1.652 -6.161 1.00 0.00 O ATOM 0 H TYR A 25 5.122 -0.841 -2.420 1.00 0.00 H new ATOM 0 HA TYR A 25 7.805 -0.391 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.448 1.136 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.730 1.822 -2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.051 0.671 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.938 -0.358 -5.178 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.710 -0.424 -3.890 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.591 -1.475 -6.625 1.00 0.00 H new ATOM 0 HH TYR A 25 10.694 -2.022 -6.942 1.00 0.00 H new ATOM 210 N PHE A 26 6.433 0.493 0.785 1.00 0.00 N ATOM 211 CA PHE A 26 5.821 1.205 1.950 1.00 0.00 C ATOM 212 C PHE A 26 6.798 2.319 2.463 1.00 0.00 C ATOM 213 O PHE A 26 8.019 2.160 2.383 1.00 0.00 O ATOM 214 CB PHE A 26 5.526 0.180 3.091 1.00 0.00 C ATOM 215 CG PHE A 26 4.570 -0.984 2.736 1.00 0.00 C ATOM 216 CD1 PHE A 26 3.190 -0.783 2.664 1.00 0.00 C ATOM 217 CD2 PHE A 26 5.084 -2.265 2.513 1.00 0.00 C ATOM 218 CE1 PHE A 26 2.335 -1.843 2.379 1.00 0.00 C ATOM 219 CE2 PHE A 26 4.229 -3.330 2.239 1.00 0.00 C ATOM 220 CZ PHE A 26 2.856 -3.117 2.170 1.00 0.00 C ATOM 0 H PHE A 26 7.107 -0.227 1.045 1.00 0.00 H new ATOM 0 HA PHE A 26 4.886 1.672 1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.473 -0.244 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.105 0.722 3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.783 0.203 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.151 -2.430 2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.269 -1.678 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.631 -4.320 2.080 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.193 -3.942 1.954 1.00 0.00 H new ATOM 221 N ARG A 27 6.285 3.440 3.022 1.00 0.00 N ATOM 222 CA ARG A 27 7.177 4.522 3.559 1.00 0.00 C ATOM 223 C ARG A 27 8.082 4.023 4.748 1.00 0.00 C ATOM 224 O ARG A 27 7.591 3.458 5.731 1.00 0.00 O ATOM 225 CB ARG A 27 6.314 5.766 3.950 1.00 0.00 C ATOM 226 CG ARG A 27 7.151 6.930 4.560 1.00 0.00 C ATOM 227 CD ARG A 27 6.407 8.274 4.700 1.00 0.00 C ATOM 228 NE ARG A 27 7.340 9.235 5.370 1.00 0.00 N ATOM 229 CZ ARG A 27 7.348 10.561 5.189 1.00 0.00 C ATOM 230 NH1 ARG A 27 6.535 11.197 4.383 1.00 0.00 N ATOM 231 NH2 ARG A 27 8.221 11.258 5.850 1.00 0.00 N ATOM 0 H ARG A 27 5.287 3.627 3.117 1.00 0.00 H new ATOM 0 HA ARG A 27 7.872 4.816 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.791 6.129 3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.553 5.460 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.504 6.624 5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.034 7.085 3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.106 8.650 3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.497 8.150 5.287 1.00 0.00 H new ATOM 0 HE ARG A 27 8.026 8.847 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.841 10.678 3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.596 12.211 4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.872 10.793 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.256 12.271 5.737 1.00 0.00 H new ATOM 232 N ASN A 28 9.405 4.274 4.648 1.00 0.00 N ATOM 233 CA ASN A 28 10.358 3.914 5.743 1.00 0.00 C ATOM 234 C ASN A 28 10.301 4.870 6.992 1.00 0.00 C ATOM 235 O ASN A 28 10.150 4.399 8.121 1.00 0.00 O ATOM 236 CB ASN A 28 11.788 3.696 5.153 1.00 0.00 C ATOM 237 CG ASN A 28 12.532 4.894 4.521 1.00 0.00 C ATOM 238 OD1 ASN A 28 12.105 6.045 4.533 1.00 0.00 O ATOM 239 ND2 ASN A 28 13.680 4.634 3.946 1.00 0.00 N ATOM 0 H ASN A 28 9.841 4.716 3.839 1.00 0.00 H new ATOM 0 HA ASN A 28 10.034 2.964 6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.417 3.304 5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.715 2.917 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.214 5.386 3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.039 3.679 3.933 1.00 0.00 H new ATOM 240 N GLY A 29 10.420 6.193 6.784 1.00 0.00 N ATOM 241 CA GLY A 29 10.421 7.163 7.906 1.00 0.00 C ATOM 242 C GLY A 29 10.703 8.593 7.412 1.00 0.00 C ATOM 243 O GLY A 29 9.776 9.391 7.244 1.00 0.00 O ATOM 0 H GLY A 29 10.516 6.617 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.457 7.135 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.175 6.874 8.638 1.00 0.00 H new ATOM 244 N LYS A 30 11.989 8.911 7.174 1.00 0.00 N ATOM 245 CA LYS A 30 12.400 10.284 6.754 1.00 0.00 C ATOM 246 C LYS A 30 12.120 10.582 5.235 1.00 0.00 C ATOM 247 O LYS A 30 11.316 11.469 4.936 1.00 0.00 O ATOM 248 CB LYS A 30 13.886 10.489 7.182 1.00 0.00 C ATOM 249 CG LYS A 30 14.406 11.937 6.991 1.00 0.00 C ATOM 250 CD LYS A 30 15.888 12.073 7.419 1.00 0.00 C ATOM 251 CE LYS A 30 16.498 13.469 7.157 1.00 0.00 C ATOM 252 NZ LYS A 30 15.965 14.489 8.106 1.00 0.00 N ATOM 0 H LYS A 30 12.762 8.251 7.261 1.00 0.00 H new ATOM 0 HA LYS A 30 11.782 11.025 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.992 10.212 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.515 9.810 6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.301 12.227 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.794 12.624 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.970 11.847 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.478 11.326 6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.583 13.416 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.281 13.775 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.396 15.413 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.933 14.557 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.194 14.209 9.081 1.00 0.00 H new ATOM 253 N GLY A 31 12.785 9.878 4.293 1.00 0.00 N ATOM 254 CA GLY A 31 12.642 10.199 2.842 1.00 0.00 C ATOM 255 C GLY A 31 12.932 9.026 1.882 1.00 0.00 C ATOM 256 O GLY A 31 13.828 9.117 1.040 1.00 0.00 O ATOM 0 H GLY A 31 13.413 9.101 4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.627 10.553 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.314 11.022 2.599 1.00 0.00 H new ATOM 257 N GLY A 32 12.138 7.951 1.974 1.00 0.00 N ATOM 258 CA GLY A 32 12.260 6.810 1.031 1.00 0.00 C ATOM 259 C GLY A 32 11.244 5.674 1.297 1.00 0.00 C ATOM 260 O GLY A 32 10.314 5.793 2.106 1.00 0.00 O ATOM 0 H GLY A 32 11.410 7.839 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.125 7.175 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.270 6.405 1.093 1.00 0.00 H new ATOM 261 N CYS A 33 11.435 4.555 0.582 1.00 0.00 N ATOM 262 CA CYS A 33 10.501 3.399 0.672 1.00 0.00 C ATOM 263 C CYS A 33 11.237 2.072 1.044 1.00 0.00 C ATOM 264 O CYS A 33 12.337 1.785 0.560 1.00 0.00 O ATOM 265 CB CYS A 33 9.775 3.227 -0.679 1.00 0.00 C ATOM 266 SG CYS A 33 9.164 4.795 -1.321 1.00 0.00 S ATOM 0 H CYS A 33 12.215 4.417 -0.060 1.00 0.00 H new ATOM 0 HA CYS A 33 9.785 3.609 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.457 2.780 -1.403 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.941 2.536 -0.557 1.00 0.00 H new ATOM 267 N ASP A 34 10.573 1.231 1.857 1.00 0.00 N ATOM 268 CA ASP A 34 11.039 -0.163 2.100 1.00 0.00 C ATOM 269 C ASP A 34 10.493 -1.111 0.979 1.00 0.00 C ATOM 270 O ASP A 34 9.276 -1.229 0.784 1.00 0.00 O ATOM 271 CB ASP A 34 10.538 -0.655 3.486 1.00 0.00 C ATOM 272 CG ASP A 34 11.161 0.039 4.699 1.00 0.00 C ATOM 273 OD1 ASP A 34 12.337 0.382 4.768 1.00 0.00 O ATOM 274 OD2 ASP A 34 10.259 0.210 5.705 1.00 0.00 O ATOM 0 H ASP A 34 9.719 1.481 2.356 1.00 0.00 H new ATOM 0 HA ASP A 34 12.129 -0.178 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.457 -0.522 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.731 -1.725 3.563 1.00 0.00 H new ATOM 275 N SER A 35 11.404 -1.801 0.265 1.00 0.00 N ATOM 276 CA SER A 35 11.006 -2.776 -0.791 1.00 0.00 C ATOM 277 C SER A 35 10.599 -4.157 -0.176 1.00 0.00 C ATOM 278 O SER A 35 11.460 -4.977 0.170 1.00 0.00 O ATOM 279 CB SER A 35 12.180 -2.931 -1.790 1.00 0.00 C ATOM 280 OG SER A 35 13.307 -3.559 -1.171 1.00 0.00 O ATOM 0 H SER A 35 12.412 -1.709 0.392 1.00 0.00 H new ATOM 0 HA SER A 35 10.128 -2.399 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.856 -3.522 -2.647 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.470 -1.951 -2.170 1.00 0.00 H new ATOM 0 HG SER A 35 12.995 -4.229 -0.528 1.00 0.00 H new ATOM 281 N PHE A 36 9.286 -4.395 -0.047 1.00 0.00 N ATOM 282 CA PHE A 36 8.760 -5.663 0.531 1.00 0.00 C ATOM 283 C PHE A 36 8.346 -6.651 -0.603 1.00 0.00 C ATOM 284 O PHE A 36 7.540 -6.322 -1.477 1.00 0.00 O ATOM 285 CB PHE A 36 7.524 -5.335 1.428 1.00 0.00 C ATOM 286 CG PHE A 36 7.844 -5.053 2.908 1.00 0.00 C ATOM 287 CD1 PHE A 36 8.327 -3.805 3.315 1.00 0.00 C ATOM 288 CD2 PHE A 36 7.586 -6.036 3.869 1.00 0.00 C ATOM 289 CE1 PHE A 36 8.526 -3.538 4.669 1.00 0.00 C ATOM 290 CE2 PHE A 36 7.789 -5.768 5.221 1.00 0.00 C ATOM 291 CZ PHE A 36 8.256 -4.518 5.620 1.00 0.00 C ATOM 0 H PHE A 36 8.562 -3.735 -0.331 1.00 0.00 H new ATOM 0 HA PHE A 36 9.538 -6.136 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.013 -4.467 1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.826 -6.171 1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.546 -3.046 2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.228 -7.007 3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 36 8.890 -2.570 4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.584 -6.529 5.959 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.409 -4.309 6.668 1.00 0.00 H new ATOM 292 N TRP A 37 8.831 -7.902 -0.529 1.00 0.00 N ATOM 293 CA TRP A 37 8.210 -9.021 -1.298 1.00 0.00 C ATOM 294 C TRP A 37 7.057 -9.618 -0.425 1.00 0.00 C ATOM 295 O TRP A 37 7.301 -10.208 0.632 1.00 0.00 O ATOM 296 CB TRP A 37 9.285 -10.081 -1.646 1.00 0.00 C ATOM 297 CG TRP A 37 10.217 -9.672 -2.796 1.00 0.00 C ATOM 298 CD1 TRP A 37 11.478 -9.049 -2.666 1.00 0.00 C ATOM 299 CD2 TRP A 37 10.029 -9.860 -4.148 1.00 0.00 C ATOM 300 NE1 TRP A 37 12.080 -8.842 -3.933 1.00 0.00 N ATOM 301 CE2 TRP A 37 11.155 -9.365 -4.825 1.00 0.00 C ATOM 302 CE3 TRP A 37 8.954 -10.447 -4.859 1.00 0.00 C ATOM 303 CZ2 TRP A 37 11.239 -9.452 -6.232 1.00 0.00 C ATOM 304 CZ3 TRP A 37 9.047 -10.528 -6.252 1.00 0.00 C ATOM 305 CH2 TRP A 37 10.177 -10.038 -6.931 1.00 0.00 C ATOM 0 H TRP A 37 9.634 -8.172 0.040 1.00 0.00 H new ATOM 0 HA TRP A 37 7.795 -8.669 -2.242 1.00 0.00 H new ATOM 0 HB2 TRP A 37 9.886 -10.279 -0.758 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.788 -11.015 -1.909 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.925 -8.767 -1.724 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.981 -8.410 -4.140 1.00 0.00 H new ATOM 0 HE3 TRP A 37 8.085 -10.822 -4.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.104 -9.075 -6.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 8.240 -10.973 -6.814 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.226 -10.115 -8.007 1.00 0.00 H new ATOM 306 N ILE A 38 5.796 -9.399 -0.843 1.00 0.00 N ATOM 307 CA ILE A 38 4.620 -9.562 0.081 1.00 0.00 C ATOM 308 C ILE A 38 4.318 -11.063 0.454 1.00 0.00 C ATOM 309 O ILE A 38 4.204 -11.366 1.641 1.00 0.00 O ATOM 310 CB ILE A 38 3.318 -8.849 -0.465 1.00 0.00 C ATOM 311 CG1 ILE A 38 3.509 -7.427 -1.085 1.00 0.00 C ATOM 312 CG2 ILE A 38 2.262 -8.743 0.673 1.00 0.00 C ATOM 313 CD1 ILE A 38 2.373 -7.053 -2.062 1.00 0.00 C ATOM 0 H ILE A 38 5.551 -9.114 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 38 4.917 -9.061 1.002 1.00 0.00 H new ATOM 0 HB ILE A 38 2.995 -9.487 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.554 -6.688 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.464 -7.388 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.366 -8.251 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.006 -9.742 1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.673 -8.161 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.553 -6.056 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.343 -7.774 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.420 -7.064 -1.533 1.00 0.00 H new ATOM 314 N CYS A 39 4.159 -11.940 -0.571 1.00 0.00 N ATOM 315 CA CYS A 39 3.756 -13.382 -0.444 1.00 0.00 C ATOM 316 C CYS A 39 2.324 -13.612 -1.082 1.00 0.00 C ATOM 317 O CYS A 39 1.411 -12.819 -0.800 1.00 0.00 O ATOM 318 CB CYS A 39 3.895 -14.067 0.940 1.00 0.00 C ATOM 319 SG CYS A 39 5.588 -13.926 1.542 1.00 0.00 S ATOM 0 H CYS A 39 4.310 -11.664 -1.541 1.00 0.00 H new ATOM 0 HA CYS A 39 4.523 -13.906 -1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.210 -13.607 1.651 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.616 -15.118 0.863 1.00 0.00 H new ATOM 320 N PRO A 40 2.067 -14.677 -1.927 1.00 0.00 N ATOM 321 CA PRO A 40 0.725 -14.929 -2.551 1.00 0.00 C ATOM 322 C PRO A 40 -0.525 -14.987 -1.609 1.00 0.00 C ATOM 323 O PRO A 40 -1.548 -14.366 -1.904 1.00 0.00 O ATOM 324 CB PRO A 40 0.952 -16.255 -3.309 1.00 0.00 C ATOM 325 CG PRO A 40 2.450 -16.287 -3.606 1.00 0.00 C ATOM 326 CD PRO A 40 3.092 -15.642 -2.379 1.00 0.00 C ATOM 0 HA PRO A 40 0.441 -14.076 -3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.651 -17.111 -2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.366 -16.290 -4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.805 -17.307 -3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.687 -15.735 -4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.318 -16.379 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.029 -15.145 -2.630 1.00 0.00 H new ATOM 327 N GLU A 41 -0.424 -15.697 -0.470 1.00 0.00 N ATOM 328 CA GLU A 41 -1.470 -15.637 0.597 1.00 0.00 C ATOM 329 C GLU A 41 -1.513 -14.260 1.363 1.00 0.00 C ATOM 330 O GLU A 41 -2.596 -13.723 1.606 1.00 0.00 O ATOM 331 CB GLU A 41 -1.196 -16.833 1.547 1.00 0.00 C ATOM 332 CG GLU A 41 -2.252 -17.042 2.662 1.00 0.00 C ATOM 333 CD GLU A 41 -1.826 -18.115 3.662 1.00 0.00 C ATOM 334 OE1 GLU A 41 -0.918 -17.960 4.476 1.00 0.00 O ATOM 335 OE2 GLU A 41 -2.556 -19.257 3.540 1.00 0.00 O ATOM 0 H GLU A 41 0.358 -16.316 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.461 -15.710 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.134 -17.744 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.221 -16.691 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.415 -16.101 3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.204 -17.324 2.211 1.00 0.00 H new ATOM 336 N ASP A 42 -0.341 -13.710 1.747 1.00 0.00 N ATOM 337 CA ASP A 42 -0.255 -12.450 2.542 1.00 0.00 C ATOM 338 C ASP A 42 -0.940 -11.186 1.910 1.00 0.00 C ATOM 339 O ASP A 42 -1.649 -10.473 2.625 1.00 0.00 O ATOM 340 CB ASP A 42 1.253 -12.244 2.841 1.00 0.00 C ATOM 341 CG ASP A 42 1.617 -11.108 3.795 1.00 0.00 C ATOM 342 OD1 ASP A 42 1.232 -9.954 3.653 1.00 0.00 O ATOM 343 OD2 ASP A 42 2.437 -11.522 4.801 1.00 0.00 O ATOM 0 H ASP A 42 0.567 -14.116 1.521 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.842 -12.565 3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.648 -13.173 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.766 -12.071 1.895 1.00 0.00 H new ATOM 344 N HIS A 43 -0.740 -10.901 0.602 1.00 0.00 N ATOM 345 CA HIS A 43 -1.347 -9.679 -0.025 1.00 0.00 C ATOM 346 C HIS A 43 -2.921 -9.644 -0.161 1.00 0.00 C ATOM 347 O HIS A 43 -3.469 -8.564 -0.383 1.00 0.00 O ATOM 348 CB HIS A 43 -0.615 -9.344 -1.365 1.00 0.00 C ATOM 349 CG HIS A 43 -1.113 -10.036 -2.635 1.00 0.00 C ATOM 350 ND1 HIS A 43 -1.801 -9.373 -3.636 1.00 0.00 N ATOM 351 CD2 HIS A 43 -1.006 -11.403 -2.946 1.00 0.00 C ATOM 352 CE1 HIS A 43 -2.086 -10.412 -4.476 1.00 0.00 C ATOM 353 NE2 HIS A 43 -1.639 -11.668 -4.158 1.00 0.00 N ATOM 0 H HIS A 43 -0.183 -11.474 -0.032 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.177 -8.883 0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.678 -8.267 -1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.440 -9.587 -1.241 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -2.031 -8.383 -3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.506 -12.140 -2.335 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.656 -10.246 -5.378 1.00 0.00 H new ATOM 354 N THR A 44 -3.611 -10.808 -0.079 1.00 0.00 N ATOM 355 CA THR A 44 -5.114 -10.916 -0.147 1.00 0.00 C ATOM 356 C THR A 44 -5.874 -10.470 -1.457 1.00 0.00 C ATOM 357 O THR A 44 -6.995 -10.935 -1.682 1.00 0.00 O ATOM 358 CB THR A 44 -5.827 -10.469 1.174 1.00 0.00 C ATOM 359 OG1 THR A 44 -7.132 -11.038 1.203 1.00 0.00 O ATOM 360 CG2 THR A 44 -5.991 -8.954 1.389 1.00 0.00 C ATOM 0 H THR A 44 -3.151 -11.711 0.037 1.00 0.00 H new ATOM 0 HA THR A 44 -5.215 -11.997 -0.246 1.00 0.00 H new ATOM 0 HB THR A 44 -5.167 -10.817 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.448 -11.178 0.286 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.498 -8.774 2.337 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.009 -8.481 1.407 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.582 -8.533 0.576 1.00 0.00 H new ATOM 361 N GLY A 45 -5.304 -9.589 -2.292 1.00 0.00 N ATOM 362 CA GLY A 45 -5.989 -9.121 -3.525 1.00 0.00 C ATOM 363 C GLY A 45 -5.138 -8.104 -4.306 1.00 0.00 C ATOM 364 O GLY A 45 -4.549 -8.442 -5.336 1.00 0.00 O ATOM 0 H GLY A 45 -4.379 -9.184 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.210 -9.976 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.944 -8.667 -3.259 1.00 0.00 H new ATOM 365 N ALA A 46 -5.068 -6.860 -3.805 1.00 0.00 N ATOM 366 CA ALA A 46 -4.304 -5.779 -4.484 1.00 0.00 C ATOM 367 C ALA A 46 -2.751 -5.854 -4.263 1.00 0.00 C ATOM 368 O ALA A 46 -2.243 -6.523 -3.353 1.00 0.00 O ATOM 369 CB ALA A 46 -4.883 -4.447 -3.958 1.00 0.00 C ATOM 0 H ALA A 46 -5.524 -6.571 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.420 -5.880 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.358 -3.613 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.944 -4.390 -4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.756 -4.397 -2.877 1.00 0.00 H new ATOM 370 N ASP A 47 -2.006 -5.135 -5.122 1.00 0.00 N ATOM 371 CA ASP A 47 -0.541 -4.917 -4.927 1.00 0.00 C ATOM 372 C ASP A 47 -0.284 -3.535 -4.234 1.00 0.00 C ATOM 373 O ASP A 47 -0.812 -2.501 -4.663 1.00 0.00 O ATOM 374 CB ASP A 47 0.196 -5.055 -6.294 1.00 0.00 C ATOM 375 CG ASP A 47 -0.213 -4.068 -7.397 1.00 0.00 C ATOM 376 OD1 ASP A 47 -1.163 -4.249 -8.150 1.00 0.00 O ATOM 377 OD2 ASP A 47 0.589 -2.968 -7.437 1.00 0.00 O ATOM 0 H ASP A 47 -2.383 -4.692 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.136 -5.679 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.266 -4.944 -6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.037 -6.067 -6.666 1.00 0.00 H new ATOM 378 N TYR A 48 0.542 -3.509 -3.168 1.00 0.00 N ATOM 379 CA TYR A 48 0.773 -2.245 -2.394 1.00 0.00 C ATOM 380 C TYR A 48 1.902 -1.355 -3.043 1.00 0.00 C ATOM 381 O TYR A 48 3.002 -1.216 -2.499 1.00 0.00 O ATOM 382 CB TYR A 48 1.080 -2.589 -0.904 1.00 0.00 C ATOM 383 CG TYR A 48 -0.038 -3.306 -0.119 1.00 0.00 C ATOM 384 CD1 TYR A 48 -1.106 -2.580 0.417 1.00 0.00 C ATOM 385 CD2 TYR A 48 0.039 -4.684 0.109 1.00 0.00 C ATOM 386 CE1 TYR A 48 -2.096 -3.231 1.151 1.00 0.00 C ATOM 387 CE2 TYR A 48 -0.951 -5.332 0.844 1.00 0.00 C ATOM 388 CZ TYR A 48 -2.021 -4.607 1.359 1.00 0.00 C ATOM 389 OH TYR A 48 -2.987 -5.238 2.096 1.00 0.00 O ATOM 0 H TYR A 48 1.054 -4.320 -2.820 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.137 -1.646 -2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.972 -3.214 -0.875 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.323 -1.663 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.164 -1.513 0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.870 -5.248 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.923 -2.668 1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.888 -6.397 1.014 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.787 -6.196 2.145 1.00 0.00 H new ATOM 390 N TYR A 49 1.594 -0.749 -4.217 1.00 0.00 N ATOM 391 CA TYR A 49 2.572 0.066 -5.016 1.00 0.00 C ATOM 392 C TYR A 49 3.768 -0.785 -5.567 1.00 0.00 C ATOM 393 O TYR A 49 4.696 -1.115 -4.829 1.00 0.00 O ATOM 394 CB TYR A 49 3.083 1.351 -4.276 1.00 0.00 C ATOM 395 CG TYR A 49 2.082 2.497 -3.976 1.00 0.00 C ATOM 396 CD1 TYR A 49 0.883 2.686 -4.684 1.00 0.00 C ATOM 397 CD2 TYR A 49 2.438 3.423 -2.990 1.00 0.00 C ATOM 398 CE1 TYR A 49 0.054 3.767 -4.387 1.00 0.00 C ATOM 399 CE2 TYR A 49 1.611 4.508 -2.706 1.00 0.00 C ATOM 400 CZ TYR A 49 0.416 4.672 -3.396 1.00 0.00 C ATOM 401 OH TYR A 49 -0.405 5.724 -3.090 1.00 0.00 O ATOM 0 H TYR A 49 0.669 -0.805 -4.643 1.00 0.00 H new ATOM 0 HA TYR A 49 1.996 0.415 -5.873 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.514 1.034 -3.326 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.895 1.771 -4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.602 1.991 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.361 3.296 -2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.871 3.901 -4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.899 5.222 -1.949 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.000 6.257 -2.374 1.00 0.00 H new ATOM 402 N SER A 50 3.758 -1.106 -6.879 1.00 0.00 N ATOM 403 CA SER A 50 4.870 -1.906 -7.501 1.00 0.00 C ATOM 404 C SER A 50 6.015 -1.088 -8.222 1.00 0.00 C ATOM 405 O SER A 50 6.834 -1.675 -8.940 1.00 0.00 O ATOM 406 CB SER A 50 4.235 -2.974 -8.429 1.00 0.00 C ATOM 407 OG SER A 50 3.689 -2.399 -9.618 1.00 0.00 O ATOM 0 H SER A 50 3.017 -0.838 -7.527 1.00 0.00 H new ATOM 0 HA SER A 50 5.415 -2.369 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.989 -3.714 -8.698 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.449 -3.502 -7.889 1.00 0.00 H new ATOM 0 HG SER A 50 3.301 -3.106 -10.175 1.00 0.00 H new ATOM 408 N SER A 51 6.130 0.239 -7.991 1.00 0.00 N ATOM 409 CA SER A 51 7.326 1.022 -8.427 1.00 0.00 C ATOM 410 C SER A 51 7.668 2.137 -7.384 1.00 0.00 C ATOM 411 O SER A 51 6.782 2.711 -6.738 1.00 0.00 O ATOM 412 CB SER A 51 7.130 1.584 -9.862 1.00 0.00 C ATOM 413 OG SER A 51 6.174 2.646 -9.912 1.00 0.00 O ATOM 0 H SER A 51 5.421 0.793 -7.511 1.00 0.00 H new ATOM 0 HA SER A 51 8.186 0.353 -8.469 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.087 1.943 -10.241 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.808 0.779 -10.522 1.00 0.00 H new ATOM 0 HG SER A 51 5.491 2.504 -9.223 1.00 0.00 H new ATOM 414 N TYR A 52 8.972 2.456 -7.239 1.00 0.00 N ATOM 415 CA TYR A 52 9.436 3.493 -6.257 1.00 0.00 C ATOM 416 C TYR A 52 8.841 4.937 -6.479 1.00 0.00 C ATOM 417 O TYR A 52 8.483 5.610 -5.509 1.00 0.00 O ATOM 418 CB TYR A 52 10.993 3.472 -6.269 1.00 0.00 C ATOM 419 CG TYR A 52 11.649 4.231 -5.100 1.00 0.00 C ATOM 420 CD1 TYR A 52 11.929 3.566 -3.902 1.00 0.00 C ATOM 421 CD2 TYR A 52 11.997 5.581 -5.235 1.00 0.00 C ATOM 422 CE1 TYR A 52 12.549 4.242 -2.854 1.00 0.00 C ATOM 423 CE2 TYR A 52 12.612 6.255 -4.181 1.00 0.00 C ATOM 424 CZ TYR A 52 12.886 5.585 -2.991 1.00 0.00 C ATOM 425 OH TYR A 52 13.496 6.242 -1.958 1.00 0.00 O ATOM 0 H TYR A 52 9.723 2.024 -7.776 1.00 0.00 H new ATOM 0 HA TYR A 52 9.051 3.233 -5.271 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.330 2.436 -6.248 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.343 3.902 -7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.664 2.525 -3.789 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.788 6.101 -6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.769 3.723 -1.933 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.876 7.297 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 52 13.665 7.172 -2.216 1.00 0.00 H new ATOM 426 N ARG A 53 8.689 5.384 -7.744 1.00 0.00 N ATOM 427 CA ARG A 53 7.934 6.638 -8.070 1.00 0.00 C ATOM 428 C ARG A 53 6.444 6.725 -7.559 1.00 0.00 C ATOM 429 O ARG A 53 5.961 7.831 -7.300 1.00 0.00 O ATOM 430 CB ARG A 53 8.069 6.914 -9.602 1.00 0.00 C ATOM 431 CG ARG A 53 7.427 5.875 -10.572 1.00 0.00 C ATOM 432 CD ARG A 53 5.963 6.182 -10.950 1.00 0.00 C ATOM 433 NE ARG A 53 5.421 5.031 -11.729 1.00 0.00 N ATOM 434 CZ ARG A 53 4.349 5.098 -12.527 1.00 0.00 C ATOM 435 NH1 ARG A 53 3.658 6.199 -12.707 1.00 0.00 N ATOM 436 NH2 ARG A 53 3.974 4.020 -13.153 1.00 0.00 N ATOM 0 H ARG A 53 9.072 4.907 -8.560 1.00 0.00 H new ATOM 0 HA ARG A 53 8.401 7.435 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.627 7.888 -9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.130 6.988 -9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.023 5.829 -11.483 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.472 4.888 -10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.367 6.345 -10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.908 7.097 -11.540 1.00 0.00 H new ATOM 0 HE ARG A 53 5.899 4.134 -11.648 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.931 7.057 -12.227 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.848 6.197 -13.327 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.494 3.151 -13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.160 4.044 -13.767 1.00 0.00 H new ATOM 437 N ASP A 54 5.731 5.586 -7.387 1.00 0.00 N ATOM 438 CA ASP A 54 4.386 5.585 -6.728 1.00 0.00 C ATOM 439 C ASP A 54 4.459 5.980 -5.210 1.00 0.00 C ATOM 440 O ASP A 54 3.797 6.934 -4.792 1.00 0.00 O ATOM 441 CB ASP A 54 3.697 4.198 -6.894 1.00 0.00 C ATOM 442 CG ASP A 54 3.401 3.750 -8.323 1.00 0.00 C ATOM 443 OD1 ASP A 54 2.573 4.612 -8.975 1.00 0.00 O ATOM 444 OD2 ASP A 54 3.846 2.716 -8.815 1.00 0.00 O ATOM 0 H ASP A 54 6.051 4.665 -7.687 1.00 0.00 H new ATOM 0 HA ASP A 54 3.787 6.346 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.330 3.445 -6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.758 4.215 -6.341 1.00 0.00 H new ATOM 445 N CYS A 55 5.282 5.272 -4.403 1.00 0.00 N ATOM 446 CA CYS A 55 5.489 5.636 -2.972 1.00 0.00 C ATOM 447 C CYS A 55 6.211 7.007 -2.726 1.00 0.00 C ATOM 448 O CYS A 55 5.838 7.736 -1.806 1.00 0.00 O ATOM 449 CB CYS A 55 6.243 4.471 -2.298 1.00 0.00 C ATOM 450 SG CYS A 55 7.954 4.427 -2.864 1.00 0.00 S ATOM 0 H CYS A 55 5.810 4.454 -4.708 1.00 0.00 H new ATOM 0 HA CYS A 55 4.505 5.788 -2.528 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.214 4.587 -1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 55 5.751 3.527 -2.531 1.00 0.00 H new ATOM 451 N PHE A 56 7.225 7.378 -3.539 1.00 0.00 N ATOM 452 CA PHE A 56 7.924 8.685 -3.368 1.00 0.00 C ATOM 453 C PHE A 56 7.013 9.938 -3.648 1.00 0.00 C ATOM 454 O PHE A 56 7.011 10.881 -2.852 1.00 0.00 O ATOM 455 CB PHE A 56 9.234 8.665 -4.208 1.00 0.00 C ATOM 456 CG PHE A 56 10.306 9.622 -3.660 1.00 0.00 C ATOM 457 CD1 PHE A 56 11.165 9.192 -2.641 1.00 0.00 C ATOM 458 CD2 PHE A 56 10.423 10.924 -4.155 1.00 0.00 C ATOM 459 CE1 PHE A 56 12.129 10.054 -2.127 1.00 0.00 C ATOM 460 CE2 PHE A 56 11.386 11.786 -3.635 1.00 0.00 C ATOM 461 CZ PHE A 56 12.239 11.351 -2.623 1.00 0.00 C ATOM 0 H PHE A 56 7.577 6.808 -4.308 1.00 0.00 H new ATOM 0 HA PHE A 56 8.184 8.802 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.633 7.651 -4.226 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.004 8.936 -5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.079 8.188 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.766 11.262 -4.942 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.792 9.717 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.471 12.793 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.986 12.020 -2.223 1.00 0.00 H new ATOM 462 N ASN A 57 6.211 9.931 -4.735 1.00 0.00 N ATOM 463 CA ASN A 57 5.222 11.025 -4.993 1.00 0.00 C ATOM 464 C ASN A 57 3.975 10.988 -4.036 1.00 0.00 C ATOM 465 O ASN A 57 3.654 12.008 -3.423 1.00 0.00 O ATOM 466 CB ASN A 57 4.789 11.003 -6.487 1.00 0.00 C ATOM 467 CG ASN A 57 5.885 11.456 -7.462 1.00 0.00 C ATOM 468 OD1 ASN A 57 6.175 12.638 -7.600 1.00 0.00 O ATOM 469 ND2 ASN A 57 6.511 10.540 -8.159 1.00 0.00 N ATOM 0 H ASN A 57 6.220 9.197 -5.443 1.00 0.00 H new ATOM 0 HA ASN A 57 5.725 11.966 -4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.479 9.992 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.918 11.646 -6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.241 10.811 -8.818 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.268 9.556 -8.043 1.00 0.00 H new ATOM 470 N ALA A 58 3.272 9.839 -3.904 1.00 0.00 N ATOM 471 CA ALA A 58 2.058 9.757 -3.032 1.00 0.00 C ATOM 472 C ALA A 58 2.291 9.671 -1.475 1.00 0.00 C ATOM 473 O ALA A 58 1.336 9.857 -0.708 1.00 0.00 O ATOM 474 CB ALA A 58 1.245 8.546 -3.525 1.00 0.00 C ATOM 0 H ALA A 58 3.511 8.967 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 58 1.537 10.709 -3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.345 8.441 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.965 8.696 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.848 7.643 -3.437 1.00 0.00 H new ATOM 475 N CYS A 59 3.522 9.368 -1.008 1.00 0.00 N ATOM 476 CA CYS A 59 3.826 9.260 0.451 1.00 0.00 C ATOM 477 C CYS A 59 5.067 10.081 0.944 1.00 0.00 C ATOM 478 O CYS A 59 5.080 10.456 2.120 1.00 0.00 O ATOM 479 CB CYS A 59 3.932 7.767 0.824 1.00 0.00 C ATOM 480 SG CYS A 59 2.450 6.915 0.261 1.00 0.00 S ATOM 0 H CYS A 59 4.325 9.193 -1.612 1.00 0.00 H new ATOM 0 HA CYS A 59 2.997 9.729 0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.817 7.326 0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.043 7.655 1.903 1.00 0.00 H new ATOM 481 N ILE A 60 6.086 10.374 0.099 1.00 0.00 N ATOM 482 CA ILE A 60 7.205 11.295 0.496 1.00 0.00 C ATOM 483 C ILE A 60 6.881 12.743 0.018 1.00 0.00 C ATOM 484 O ILE A 60 6.726 13.676 0.804 1.00 0.00 O ATOM 485 CB ILE A 60 8.624 10.782 0.038 1.00 0.00 C ATOM 486 CG1 ILE A 60 8.953 9.321 0.478 1.00 0.00 C ATOM 487 CG2 ILE A 60 9.766 11.727 0.503 1.00 0.00 C ATOM 488 CD1 ILE A 60 8.869 9.048 1.989 1.00 0.00 C ATOM 489 OXT ILE A 60 6.801 12.869 -1.350 1.00 0.00 O ATOM 0 H ILE A 60 6.166 9.999 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 60 7.271 11.307 1.584 1.00 0.00 H new ATOM 0 HB ILE A 60 8.567 10.785 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.270 8.644 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.959 9.076 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.724 11.333 0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.612 12.720 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.764 11.792 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.116 8.005 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.574 9.692 2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.858 9.253 2.340 1.00 0.00 H new TER 490 ILE A 60