USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 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 25 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 35 SER OG : rot 108:sc= 1.4 USER MOD Set 2.1: A 17 SER OG : rot 96:sc= 1.23 USER MOD Set 2.2: A 18 ASN : amide:sc= 1.13 K(o=2.4,f=0.49) USER MOD Single : A 1 TYR N :NH3+ -149:sc= 0.0278 (180deg=0) USER MOD Single : A 1 TYR OH : rot 30:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0.72 K(o=0.72,f=-0.69) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0.765 (180deg=0.707) USER MOD Single : A 28 ASN : amide:sc= 0.179 K(o=0.18,f=-4.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0.787 K(o=0.79,f=-2.5!) USER MOD Single : A 44 THR OG1 : rot -53:sc= 0.304 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 -87:sc= 0.869 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.003 K(o=-0.003,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 0.891 12.480 4.732 1.00 0.00 N ATOM 2 CA TYR A 1 1.178 11.261 3.927 1.00 0.00 C ATOM 3 C TYR A 1 -0.127 10.422 3.676 1.00 0.00 C ATOM 4 O TYR A 1 -1.020 10.379 4.532 1.00 0.00 O ATOM 5 CB TYR A 1 2.332 10.446 4.603 1.00 0.00 C ATOM 6 CG TYR A 1 1.957 9.533 5.794 1.00 0.00 C ATOM 7 CD1 TYR A 1 1.707 10.061 7.066 1.00 0.00 C ATOM 8 CD2 TYR A 1 1.843 8.153 5.589 1.00 0.00 C ATOM 9 CE1 TYR A 1 1.319 9.221 8.109 1.00 0.00 C ATOM 10 CE2 TYR A 1 1.468 7.316 6.636 1.00 0.00 C ATOM 11 CZ TYR A 1 1.199 7.850 7.892 1.00 0.00 C ATOM 12 OH TYR A 1 0.820 7.019 8.911 1.00 0.00 O ATOM 0 H1 TYR A 1 1.551 13.237 4.462 1.00 0.00 H new ATOM 0 H2 TYR A 1 -0.085 12.791 4.554 1.00 0.00 H new ATOM 0 H3 TYR A 1 1.007 12.264 5.743 1.00 0.00 H new ATOM 0 HA TYR A 1 1.527 11.548 2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 1 2.799 9.826 3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 1 3.087 11.153 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 1 1.815 11.121 7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 1 2.047 7.736 4.614 1.00 0.00 H new ATOM 0 HE1 TYR A 1 1.111 9.633 9.085 1.00 0.00 H new ATOM 0 HE2 TYR A 1 1.386 6.252 6.473 1.00 0.00 H new ATOM 0 HH TYR A 1 0.237 7.506 9.531 1.00 0.00 H new ATOM 13 N ASN A 2 -0.222 9.731 2.523 1.00 0.00 N ATOM 14 CA ASN A 2 -1.363 8.799 2.268 1.00 0.00 C ATOM 15 C ASN A 2 -1.119 7.379 2.893 1.00 0.00 C ATOM 16 O ASN A 2 0.011 6.913 3.065 1.00 0.00 O ATOM 17 CB ASN A 2 -1.659 8.743 0.744 1.00 0.00 C ATOM 18 CG ASN A 2 -2.411 9.989 0.250 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.572 10.206 0.586 1.00 0.00 O ATOM 20 ND2 ASN A 2 -1.775 10.836 -0.523 1.00 0.00 N ATOM 0 H ASN A 2 0.455 9.790 1.763 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.250 9.185 2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.721 8.647 0.197 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.249 7.854 0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.245 11.681 -0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.811 10.650 -0.799 1.00 0.00 H new ATOM 21 N ARG A 3 -2.223 6.715 3.271 1.00 0.00 N ATOM 22 CA ARG A 3 -2.166 5.514 4.171 1.00 0.00 C ATOM 23 C ARG A 3 -1.918 4.120 3.480 1.00 0.00 C ATOM 24 O ARG A 3 -1.680 3.134 4.182 1.00 0.00 O ATOM 25 CB ARG A 3 -3.501 5.496 4.977 1.00 0.00 C ATOM 26 CG ARG A 3 -3.709 6.720 5.930 1.00 0.00 C ATOM 27 CD ARG A 3 -5.143 7.314 5.912 1.00 0.00 C ATOM 28 NE ARG A 3 -5.545 7.870 4.575 1.00 0.00 N ATOM 29 CZ ARG A 3 -5.130 9.046 4.082 1.00 0.00 C ATOM 30 NH1 ARG A 3 -4.324 9.849 4.734 1.00 0.00 N ATOM 31 NH2 ARG A 3 -5.539 9.402 2.898 1.00 0.00 N ATOM 0 H ARG A 3 -3.166 6.973 2.979 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.281 5.630 4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.333 5.455 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.539 4.582 5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.468 6.416 6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.002 7.503 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.852 6.539 6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.210 8.104 6.660 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.179 7.313 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.984 9.589 5.660 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.037 10.734 4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.161 8.791 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.238 10.292 2.501 1.00 0.00 H new ATOM 32 N LEU A 4 -1.954 4.022 2.133 1.00 0.00 N ATOM 33 CA LEU A 4 -1.721 2.722 1.415 1.00 0.00 C ATOM 34 C LEU A 4 -0.253 2.145 1.540 1.00 0.00 C ATOM 35 O LEU A 4 -0.069 0.925 1.561 1.00 0.00 O ATOM 36 CB LEU A 4 -2.222 2.939 -0.054 1.00 0.00 C ATOM 37 CG LEU A 4 -2.540 1.700 -0.947 1.00 0.00 C ATOM 38 CD1 LEU A 4 -1.296 1.069 -1.589 1.00 0.00 C ATOM 39 CD2 LEU A 4 -3.379 0.626 -0.230 1.00 0.00 C ATOM 0 H LEU A 4 -2.139 4.812 1.514 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.288 1.923 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.125 3.547 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.468 3.531 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.150 2.108 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.594 0.213 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.799 1.806 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.611 0.739 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.562 -0.206 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.839 0.267 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.331 1.056 0.082 1.00 0.00 H new ATOM 40 N CYS A 5 0.772 3.011 1.701 1.00 0.00 N ATOM 41 CA CYS A 5 2.162 2.566 2.026 1.00 0.00 C ATOM 42 C CYS A 5 2.445 2.190 3.540 1.00 0.00 C ATOM 43 O CYS A 5 3.595 2.256 3.987 1.00 0.00 O ATOM 44 CB CYS A 5 3.073 3.734 1.581 1.00 0.00 C ATOM 45 SG CYS A 5 2.652 5.203 2.534 1.00 0.00 S ATOM 0 H CYS A 5 0.672 4.022 1.613 1.00 0.00 H new ATOM 0 HA CYS A 5 2.349 1.626 1.507 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.120 3.474 1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.945 3.927 0.516 1.00 0.00 H new ATOM 46 N ILE A 6 1.432 1.742 4.312 1.00 0.00 N ATOM 47 CA ILE A 6 1.643 1.247 5.712 1.00 0.00 C ATOM 48 C ILE A 6 1.683 -0.322 5.667 1.00 0.00 C ATOM 49 O ILE A 6 0.774 -0.969 5.136 1.00 0.00 O ATOM 50 CB ILE A 6 0.525 1.810 6.677 1.00 0.00 C ATOM 51 CG1 ILE A 6 0.565 3.371 6.777 1.00 0.00 C ATOM 52 CG2 ILE A 6 0.636 1.205 8.109 1.00 0.00 C ATOM 53 CD1 ILE A 6 -0.666 3.998 7.461 1.00 0.00 C ATOM 0 H ILE A 6 0.461 1.708 4.002 1.00 0.00 H new ATOM 0 HA ILE A 6 2.589 1.607 6.116 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.426 1.510 6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.459 3.665 7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.657 3.785 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.151 1.618 8.741 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.527 0.122 8.056 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.609 1.451 8.534 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.555 5.082 7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.565 3.739 6.901 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.750 3.617 8.479 1.00 0.00 H new ATOM 54 N LYS A 7 2.734 -0.928 6.261 1.00 0.00 N ATOM 55 CA LYS A 7 2.855 -2.416 6.327 1.00 0.00 C ATOM 56 C LYS A 7 1.843 -3.016 7.383 1.00 0.00 C ATOM 57 O LYS A 7 1.996 -2.717 8.575 1.00 0.00 O ATOM 58 CB LYS A 7 4.333 -2.750 6.686 1.00 0.00 C ATOM 59 CG LYS A 7 4.736 -4.233 6.445 1.00 0.00 C ATOM 60 CD LYS A 7 5.391 -4.948 7.655 1.00 0.00 C ATOM 61 CE LYS A 7 4.402 -5.565 8.672 1.00 0.00 C ATOM 62 NZ LYS A 7 3.847 -4.566 9.625 1.00 0.00 N ATOM 0 H LYS A 7 3.506 -0.425 6.699 1.00 0.00 H new ATOM 0 HA LYS A 7 2.599 -2.867 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.990 -2.108 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.503 -2.506 7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.846 -4.791 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.428 -4.272 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.042 -5.738 7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.026 -4.233 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.582 -6.038 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.909 -6.350 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.105 -5.012 10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.606 -4.218 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.441 -3.769 9.095 1.00 0.00 H new ATOM 63 N PRO A 8 0.813 -3.847 7.024 1.00 0.00 N ATOM 64 CA PRO A 8 -0.307 -4.164 7.962 1.00 0.00 C ATOM 65 C PRO A 8 -0.004 -5.302 9.004 1.00 0.00 C ATOM 66 O PRO A 8 1.100 -5.855 9.079 1.00 0.00 O ATOM 67 CB PRO A 8 -1.426 -4.512 6.949 1.00 0.00 C ATOM 68 CG PRO A 8 -0.693 -5.144 5.768 1.00 0.00 C ATOM 69 CD PRO A 8 0.572 -4.296 5.635 1.00 0.00 C ATOM 0 HA PRO A 8 -0.550 -3.350 8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.151 -5.202 7.381 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.976 -3.622 6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.456 -6.191 5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.294 -5.112 4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.409 -4.876 5.247 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.426 -3.455 4.958 1.00 0.00 H new ATOM 70 N ARG A 9 -1.023 -5.629 9.824 1.00 0.00 N ATOM 71 CA ARG A 9 -0.907 -6.713 10.853 1.00 0.00 C ATOM 72 C ARG A 9 -0.822 -8.172 10.276 1.00 0.00 C ATOM 73 O ARG A 9 -0.029 -8.970 10.785 1.00 0.00 O ATOM 74 CB ARG A 9 -2.082 -6.587 11.869 1.00 0.00 C ATOM 75 CG ARG A 9 -1.979 -5.349 12.806 1.00 0.00 C ATOM 76 CD ARG A 9 -3.139 -5.228 13.818 1.00 0.00 C ATOM 77 NE ARG A 9 -3.040 -6.262 14.893 1.00 0.00 N ATOM 78 CZ ARG A 9 -3.867 -6.328 15.945 1.00 0.00 C ATOM 79 NH1 ARG A 9 -4.861 -5.489 16.125 1.00 0.00 N ATOM 80 NH2 ARG A 9 -3.679 -7.265 16.830 1.00 0.00 N ATOM 0 H ARG A 9 -1.933 -5.169 9.804 1.00 0.00 H new ATOM 0 HA ARG A 9 0.052 -6.559 11.348 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.021 -6.536 11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.119 -7.489 12.479 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.037 -5.398 13.353 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.947 -4.446 12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.130 -4.234 14.266 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.090 -5.334 13.297 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.299 -6.959 14.821 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.030 -4.746 15.447 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.464 -5.580 16.943 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.914 -7.930 16.714 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.297 -7.334 17.639 1.00 0.00 H new ATOM 81 N ASP A 10 -1.608 -8.528 9.231 1.00 0.00 N ATOM 82 CA ASP A 10 -1.503 -9.879 8.597 1.00 0.00 C ATOM 83 C ASP A 10 -0.302 -9.947 7.583 1.00 0.00 C ATOM 84 O ASP A 10 -0.485 -9.956 6.362 1.00 0.00 O ATOM 85 CB ASP A 10 -2.887 -10.210 7.967 1.00 0.00 C ATOM 86 CG ASP A 10 -2.989 -11.629 7.394 1.00 0.00 C ATOM 87 OD1 ASP A 10 -2.670 -12.639 8.015 1.00 0.00 O ATOM 88 OD2 ASP A 10 -3.477 -11.638 6.121 1.00 0.00 O ATOM 0 H ASP A 10 -2.310 -7.918 8.811 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.271 -10.645 9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.660 -10.079 8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.094 -9.493 7.173 1.00 0.00 H new ATOM 89 N TRP A 11 0.927 -10.016 8.126 1.00 0.00 N ATOM 90 CA TRP A 11 2.156 -10.143 7.298 1.00 0.00 C ATOM 91 C TRP A 11 2.751 -11.577 7.470 1.00 0.00 C ATOM 92 O TRP A 11 3.658 -11.801 8.279 1.00 0.00 O ATOM 93 CB TRP A 11 3.123 -8.996 7.717 1.00 0.00 C ATOM 94 CG TRP A 11 4.420 -8.937 6.886 1.00 0.00 C ATOM 95 CD1 TRP A 11 5.678 -9.452 7.277 1.00 0.00 C ATOM 96 CD2 TRP A 11 4.588 -8.489 5.596 1.00 0.00 C ATOM 97 NE1 TRP A 11 6.629 -9.329 6.235 1.00 0.00 N ATOM 98 CE2 TRP A 11 5.911 -8.743 5.202 1.00 0.00 C ATOM 99 CE3 TRP A 11 3.661 -7.922 4.693 1.00 0.00 C ATOM 100 CZ2 TRP A 11 6.329 -8.468 3.882 1.00 0.00 C ATOM 101 CZ3 TRP A 11 4.087 -7.644 3.391 1.00 0.00 C ATOM 102 CH2 TRP A 11 5.402 -7.920 2.988 1.00 0.00 C ATOM 0 H TRP A 11 1.103 -9.987 9.130 1.00 0.00 H new ATOM 0 HA TRP A 11 1.956 -10.033 6.232 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.601 -8.043 7.626 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.382 -9.119 8.769 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.886 -9.883 8.245 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.611 -9.606 6.242 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.648 -7.709 5.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.342 -8.676 3.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.394 -7.211 2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.703 -7.707 1.973 1.00 0.00 H new ATOM 103 N ILE A 12 2.246 -12.541 6.678 1.00 0.00 N ATOM 104 CA ILE A 12 2.868 -13.902 6.606 1.00 0.00 C ATOM 105 C ILE A 12 3.346 -14.068 5.125 1.00 0.00 C ATOM 106 O ILE A 12 2.641 -14.615 4.271 1.00 0.00 O ATOM 107 CB ILE A 12 1.884 -15.022 7.116 1.00 0.00 C ATOM 108 CG1 ILE A 12 1.432 -14.805 8.598 1.00 0.00 C ATOM 109 CG2 ILE A 12 2.514 -16.437 6.977 1.00 0.00 C ATOM 110 CD1 ILE A 12 0.198 -15.627 9.019 1.00 0.00 C ATOM 0 H ILE A 12 1.425 -12.420 6.085 1.00 0.00 H new ATOM 0 HA ILE A 12 3.722 -14.009 7.275 1.00 0.00 H new ATOM 0 HB ILE A 12 1.002 -14.950 6.480 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.262 -15.057 9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.216 -13.747 8.747 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.809 -17.186 7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.745 -16.631 5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.430 -16.487 7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.043 -15.414 10.060 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.650 -15.360 8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.413 -16.690 8.907 1.00 0.00 H new ATOM 111 N ASP A 13 4.558 -13.564 4.830 1.00 0.00 N ATOM 112 CA ASP A 13 5.118 -13.607 3.449 1.00 0.00 C ATOM 113 C ASP A 13 5.768 -14.997 3.127 1.00 0.00 C ATOM 114 O ASP A 13 5.193 -15.767 2.352 1.00 0.00 O ATOM 115 CB ASP A 13 6.006 -12.345 3.200 1.00 0.00 C ATOM 116 CG ASP A 13 7.238 -12.138 4.100 1.00 0.00 C ATOM 117 OD1 ASP A 13 7.387 -12.659 5.201 1.00 0.00 O ATOM 118 OD2 ASP A 13 8.152 -11.302 3.533 1.00 0.00 O ATOM 0 H ASP A 13 5.171 -13.124 5.516 1.00 0.00 H new ATOM 0 HA ASP A 13 4.319 -13.541 2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.350 -12.377 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.370 -11.465 3.297 1.00 0.00 H new ATOM 119 N GLU A 14 6.927 -15.329 3.742 1.00 0.00 N ATOM 120 CA GLU A 14 7.568 -16.687 3.645 1.00 0.00 C ATOM 121 C GLU A 14 8.156 -17.050 2.236 1.00 0.00 C ATOM 122 O GLU A 14 9.370 -17.210 2.092 1.00 0.00 O ATOM 123 CB GLU A 14 6.681 -17.834 4.246 1.00 0.00 C ATOM 124 CG GLU A 14 6.233 -17.650 5.723 1.00 0.00 C ATOM 125 CD GLU A 14 7.385 -17.596 6.727 1.00 0.00 C ATOM 126 OE1 GLU A 14 7.768 -18.836 7.141 1.00 0.00 O ATOM 127 OE2 GLU A 14 7.905 -16.553 7.110 1.00 0.00 O ATOM 0 H GLU A 14 7.453 -14.674 4.321 1.00 0.00 H new ATOM 0 HA GLU A 14 8.445 -16.602 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.789 -17.938 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.233 -18.771 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.653 -16.730 5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.568 -18.470 5.994 1.00 0.00 H new ATOM 128 N CYS A 15 7.295 -17.203 1.214 1.00 0.00 N ATOM 129 CA CYS A 15 7.741 -17.535 -0.166 1.00 0.00 C ATOM 130 C CYS A 15 8.365 -16.347 -0.985 1.00 0.00 C ATOM 131 O CYS A 15 9.388 -16.538 -1.648 1.00 0.00 O ATOM 132 CB CYS A 15 6.577 -18.257 -0.875 1.00 0.00 C ATOM 133 SG CYS A 15 4.934 -17.544 -0.597 1.00 0.00 S ATOM 0 H CYS A 15 6.284 -17.104 1.310 1.00 0.00 H new ATOM 0 HA CYS A 15 8.600 -18.202 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.775 -18.263 -1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.563 -19.296 -0.547 1.00 0.00 H new ATOM 134 N ASP A 16 7.790 -15.128 -0.899 1.00 0.00 N ATOM 135 CA ASP A 16 8.495 -13.866 -1.299 1.00 0.00 C ATOM 136 C ASP A 16 8.843 -13.732 -2.833 1.00 0.00 C ATOM 137 O ASP A 16 7.967 -13.398 -3.638 1.00 0.00 O ATOM 138 CB ASP A 16 9.676 -13.562 -0.306 1.00 0.00 C ATOM 139 CG ASP A 16 9.226 -13.152 1.091 1.00 0.00 C ATOM 140 OD1 ASP A 16 8.751 -11.881 1.109 1.00 0.00 O ATOM 141 OD2 ASP A 16 9.289 -13.876 2.077 1.00 0.00 O ATOM 0 H ASP A 16 6.840 -14.979 -0.558 1.00 0.00 H new ATOM 0 HA ASP A 16 7.774 -13.056 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.307 -14.447 -0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.293 -12.767 -0.725 1.00 0.00 H new ATOM 142 N SER A 17 10.124 -13.910 -3.217 1.00 0.00 N ATOM 143 CA SER A 17 10.625 -13.488 -4.560 1.00 0.00 C ATOM 144 C SER A 17 10.605 -14.597 -5.654 1.00 0.00 C ATOM 145 O SER A 17 10.101 -14.366 -6.756 1.00 0.00 O ATOM 146 CB SER A 17 12.043 -12.875 -4.381 1.00 0.00 C ATOM 147 OG SER A 17 12.988 -13.817 -3.852 1.00 0.00 O ATOM 0 H SER A 17 10.835 -14.340 -2.625 1.00 0.00 H new ATOM 0 HA SER A 17 9.927 -12.745 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.401 -12.508 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.981 -12.014 -3.715 1.00 0.00 H new ATOM 0 HG SER A 17 13.485 -14.230 -4.588 1.00 0.00 H new ATOM 148 N ASN A 18 11.200 -15.768 -5.370 1.00 0.00 N ATOM 149 CA ASN A 18 11.487 -16.788 -6.423 1.00 0.00 C ATOM 150 C ASN A 18 10.290 -17.775 -6.607 1.00 0.00 C ATOM 151 O ASN A 18 9.711 -17.841 -7.694 1.00 0.00 O ATOM 152 CB ASN A 18 12.836 -17.496 -6.093 1.00 0.00 C ATOM 153 CG ASN A 18 14.068 -16.564 -6.146 1.00 0.00 C ATOM 154 OD1 ASN A 18 14.148 -15.547 -5.458 1.00 0.00 O ATOM 155 ND2 ASN A 18 15.050 -16.884 -6.952 1.00 0.00 N ATOM 0 H ASN A 18 11.494 -16.041 -4.432 1.00 0.00 H new ATOM 0 HA ASN A 18 11.600 -16.300 -7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.769 -17.936 -5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.984 -18.317 -6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.878 -16.291 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.987 -17.726 -7.524 1.00 0.00 H new ATOM 156 N GLU A 19 9.875 -18.490 -5.540 1.00 0.00 N ATOM 157 CA GLU A 19 8.584 -19.250 -5.548 1.00 0.00 C ATOM 158 C GLU A 19 7.330 -18.343 -5.207 1.00 0.00 C ATOM 159 O GLU A 19 6.532 -18.651 -4.319 1.00 0.00 O ATOM 160 CB GLU A 19 8.743 -20.502 -4.625 1.00 0.00 C ATOM 161 CG GLU A 19 9.154 -20.228 -3.148 1.00 0.00 C ATOM 162 CD GLU A 19 9.149 -21.484 -2.282 1.00 0.00 C ATOM 163 OE1 GLU A 19 10.071 -22.293 -2.251 1.00 0.00 O ATOM 164 OE2 GLU A 19 8.009 -21.599 -1.544 1.00 0.00 O ATOM 0 H GLU A 19 10.399 -18.564 -4.668 1.00 0.00 H new ATOM 0 HA GLU A 19 8.369 -19.598 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.798 -21.045 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.488 -21.162 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.150 -19.786 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.472 -19.495 -2.718 1.00 0.00 H new ATOM 165 N GLY A 20 7.150 -17.235 -5.955 1.00 0.00 N ATOM 166 CA GLY A 20 6.050 -16.270 -5.685 1.00 0.00 C ATOM 167 C GLY A 20 6.040 -15.130 -6.723 1.00 0.00 C ATOM 168 O GLY A 20 5.383 -15.242 -7.761 1.00 0.00 O ATOM 0 H GLY A 20 7.743 -16.982 -6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.093 -16.791 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.166 -15.853 -4.685 1.00 0.00 H new ATOM 169 N GLY A 21 6.782 -14.042 -6.452 1.00 0.00 N ATOM 170 CA GLY A 21 7.017 -12.981 -7.480 1.00 0.00 C ATOM 171 C GLY A 21 6.041 -11.780 -7.450 1.00 0.00 C ATOM 172 O GLY A 21 5.339 -11.517 -8.429 1.00 0.00 O ATOM 0 H GLY A 21 7.227 -13.864 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.032 -12.602 -7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.966 -13.441 -8.467 1.00 0.00 H new ATOM 173 N GLU A 22 6.036 -11.024 -6.341 1.00 0.00 N ATOM 174 CA GLU A 22 5.166 -9.814 -6.197 1.00 0.00 C ATOM 175 C GLU A 22 5.746 -8.882 -5.075 1.00 0.00 C ATOM 176 O GLU A 22 6.014 -9.340 -3.958 1.00 0.00 O ATOM 177 CB GLU A 22 3.672 -10.197 -5.938 1.00 0.00 C ATOM 178 CG GLU A 22 3.430 -11.195 -4.772 1.00 0.00 C ATOM 179 CD GLU A 22 1.959 -11.401 -4.420 1.00 0.00 C ATOM 180 OE1 GLU A 22 1.196 -10.487 -4.123 1.00 0.00 O ATOM 181 OE2 GLU A 22 1.601 -12.715 -4.446 1.00 0.00 O ATOM 0 H GLU A 22 6.618 -11.217 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 22 5.172 -9.263 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.111 -9.285 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.261 -10.626 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.867 -12.158 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.957 -10.838 -3.887 1.00 0.00 H new ATOM 182 N ARG A 23 5.964 -7.580 -5.377 1.00 0.00 N ATOM 183 CA ARG A 23 6.683 -6.662 -4.433 1.00 0.00 C ATOM 184 C ARG A 23 5.896 -5.352 -4.099 1.00 0.00 C ATOM 185 O ARG A 23 5.330 -4.689 -4.975 1.00 0.00 O ATOM 186 CB ARG A 23 8.122 -6.382 -4.958 1.00 0.00 C ATOM 187 CG ARG A 23 8.241 -5.484 -6.224 1.00 0.00 C ATOM 188 CD ARG A 23 9.653 -5.483 -6.848 1.00 0.00 C ATOM 189 NE ARG A 23 10.654 -4.865 -5.929 1.00 0.00 N ATOM 190 CZ ARG A 23 11.970 -4.855 -6.149 1.00 0.00 C ATOM 191 NH1 ARG A 23 12.522 -5.353 -7.230 1.00 0.00 N ATOM 192 NH2 ARG A 23 12.737 -4.321 -5.246 1.00 0.00 N ATOM 0 H ARG A 23 5.663 -7.139 -6.246 1.00 0.00 H new ATOM 0 HA ARG A 23 6.757 -7.178 -3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.693 -5.916 -4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.598 -7.339 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.523 -5.825 -6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.968 -4.462 -5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.951 -6.506 -7.079 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.636 -4.936 -7.791 1.00 0.00 H new ATOM 0 HE ARG A 23 10.310 -4.422 -5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.939 -5.774 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.535 -5.319 -7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.329 -3.925 -4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.747 -4.298 -5.384 1.00 0.00 H new ATOM 193 N ALA A 24 5.917 -4.984 -2.806 1.00 0.00 N ATOM 194 CA ALA A 24 5.339 -3.711 -2.314 1.00 0.00 C ATOM 195 C ALA A 24 6.442 -2.647 -2.033 1.00 0.00 C ATOM 196 O ALA A 24 7.619 -2.965 -1.825 1.00 0.00 O ATOM 197 CB ALA A 24 4.606 -4.049 -0.999 1.00 0.00 C ATOM 0 H ALA A 24 6.333 -5.556 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 24 4.672 -3.288 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.158 -3.144 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.825 -4.783 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.317 -4.459 -0.281 1.00 0.00 H new ATOM 198 N TYR A 25 6.029 -1.374 -1.976 1.00 0.00 N ATOM 199 CA TYR A 25 6.920 -0.269 -1.524 1.00 0.00 C ATOM 200 C TYR A 25 6.205 0.459 -0.344 1.00 0.00 C ATOM 201 O TYR A 25 5.377 1.355 -0.540 1.00 0.00 O ATOM 202 CB TYR A 25 7.263 0.659 -2.726 1.00 0.00 C ATOM 203 CG TYR A 25 8.403 0.117 -3.610 1.00 0.00 C ATOM 204 CD1 TYR A 25 8.132 -0.784 -4.646 1.00 0.00 C ATOM 205 CD2 TYR A 25 9.723 0.522 -3.382 1.00 0.00 C ATOM 206 CE1 TYR A 25 9.162 -1.265 -5.449 1.00 0.00 C ATOM 207 CE2 TYR A 25 10.751 0.042 -4.192 1.00 0.00 C ATOM 208 CZ TYR A 25 10.470 -0.847 -5.225 1.00 0.00 C ATOM 209 OH TYR A 25 11.482 -1.313 -6.019 1.00 0.00 O ATOM 0 H TYR A 25 5.089 -1.073 -2.234 1.00 0.00 H new ATOM 0 HA TYR A 25 7.879 -0.637 -1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.371 0.794 -3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.542 1.643 -2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.117 -1.108 -4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.946 1.207 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.946 -1.962 -6.245 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.768 0.361 -4.017 1.00 0.00 H new ATOM 0 HH TYR A 25 12.332 -0.922 -5.729 1.00 0.00 H new ATOM 210 N PHE A 26 6.538 0.038 0.893 1.00 0.00 N ATOM 211 CA PHE A 26 5.965 0.659 2.123 1.00 0.00 C ATOM 212 C PHE A 26 6.907 1.795 2.656 1.00 0.00 C ATOM 213 O PHE A 26 8.125 1.772 2.452 1.00 0.00 O ATOM 214 CB PHE A 26 5.750 -0.437 3.216 1.00 0.00 C ATOM 215 CG PHE A 26 4.731 -1.559 2.887 1.00 0.00 C ATOM 216 CD1 PHE A 26 3.383 -1.263 2.665 1.00 0.00 C ATOM 217 CD2 PHE A 26 5.142 -2.895 2.884 1.00 0.00 C ATOM 218 CE1 PHE A 26 2.460 -2.285 2.455 1.00 0.00 C ATOM 219 CE2 PHE A 26 4.222 -3.917 2.657 1.00 0.00 C ATOM 220 CZ PHE A 26 2.881 -3.611 2.444 1.00 0.00 C ATOM 0 H PHE A 26 7.194 -0.722 1.075 1.00 0.00 H new ATOM 0 HA PHE A 26 5.002 1.107 1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.713 -0.903 3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.429 0.056 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.055 -0.234 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.180 -3.137 3.059 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.418 -2.048 2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.550 -4.946 2.646 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.167 -4.403 2.270 1.00 0.00 H new ATOM 221 N ARG A 27 6.333 2.787 3.368 1.00 0.00 N ATOM 222 CA ARG A 27 7.118 3.931 3.933 1.00 0.00 C ATOM 223 C ARG A 27 8.233 3.474 4.944 1.00 0.00 C ATOM 224 O ARG A 27 7.959 2.721 5.884 1.00 0.00 O ATOM 225 CB ARG A 27 6.085 4.875 4.626 1.00 0.00 C ATOM 226 CG ARG A 27 6.686 6.176 5.230 1.00 0.00 C ATOM 227 CD ARG A 27 5.685 6.917 6.137 1.00 0.00 C ATOM 228 NE ARG A 27 6.396 8.018 6.851 1.00 0.00 N ATOM 229 CZ ARG A 27 5.913 8.649 7.927 1.00 0.00 C ATOM 230 NH1 ARG A 27 4.711 8.439 8.402 1.00 0.00 N ATOM 231 NH2 ARG A 27 6.679 9.508 8.531 1.00 0.00 N ATOM 0 H ARG A 27 5.334 2.829 3.571 1.00 0.00 H new ATOM 0 HA ARG A 27 7.656 4.439 3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.321 5.149 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.585 4.321 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.579 5.928 5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.000 6.838 4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.866 7.322 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.245 6.225 6.855 1.00 0.00 H new ATOM 0 HE ARG A 27 7.307 8.307 6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.093 7.766 7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.392 8.948 9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.621 9.685 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.338 10.005 9.354 1.00 0.00 H new ATOM 232 N ASN A 28 9.474 3.981 4.772 1.00 0.00 N ATOM 233 CA ASN A 28 10.558 3.739 5.778 1.00 0.00 C ATOM 234 C ASN A 28 10.454 4.667 7.046 1.00 0.00 C ATOM 235 O ASN A 28 10.375 4.163 8.168 1.00 0.00 O ATOM 236 CB ASN A 28 11.959 3.701 5.091 1.00 0.00 C ATOM 237 CG ASN A 28 12.509 4.986 4.437 1.00 0.00 C ATOM 238 OD1 ASN A 28 11.950 6.075 4.504 1.00 0.00 O ATOM 239 ND2 ASN A 28 13.646 4.878 3.793 1.00 0.00 N ATOM 0 H ASN A 28 9.756 4.547 3.972 1.00 0.00 H new ATOM 0 HA ASN A 28 10.410 2.744 6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.683 3.377 5.839 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.927 2.929 4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.061 5.698 3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.115 3.974 3.734 1.00 0.00 H new ATOM 240 N GLY A 29 10.434 6.003 6.873 1.00 0.00 N ATOM 241 CA GLY A 29 10.308 6.932 8.024 1.00 0.00 C ATOM 242 C GLY A 29 10.293 8.409 7.590 1.00 0.00 C ATOM 243 O GLY A 29 9.223 9.008 7.440 1.00 0.00 O ATOM 0 H GLY A 29 10.502 6.462 5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.391 6.708 8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.137 6.767 8.712 1.00 0.00 H new ATOM 244 N LYS A 30 11.486 8.999 7.400 1.00 0.00 N ATOM 245 CA LYS A 30 11.604 10.444 7.030 1.00 0.00 C ATOM 246 C LYS A 30 11.286 10.726 5.517 1.00 0.00 C ATOM 247 O LYS A 30 10.373 11.503 5.226 1.00 0.00 O ATOM 248 CB LYS A 30 13.012 10.940 7.481 1.00 0.00 C ATOM 249 CG LYS A 30 13.220 12.474 7.353 1.00 0.00 C ATOM 250 CD LYS A 30 14.669 12.931 7.665 1.00 0.00 C ATOM 251 CE LYS A 30 15.135 12.776 9.132 1.00 0.00 C ATOM 252 NZ LYS A 30 14.441 13.744 10.029 1.00 0.00 N ATOM 0 H LYS A 30 12.379 8.515 7.492 1.00 0.00 H new ATOM 0 HA LYS A 30 10.840 11.019 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.172 10.649 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.771 10.431 6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.960 12.785 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.533 12.983 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.350 12.367 7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.765 13.980 7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.940 11.759 9.472 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.212 12.931 9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.776 13.614 11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.648 14.715 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.415 13.579 9.990 1.00 0.00 H new ATOM 253 N GLY A 31 12.038 10.126 4.571 1.00 0.00 N ATOM 254 CA GLY A 31 11.835 10.407 3.123 1.00 0.00 C ATOM 255 C GLY A 31 12.251 9.237 2.217 1.00 0.00 C ATOM 256 O GLY A 31 13.314 9.274 1.594 1.00 0.00 O ATOM 0 H GLY A 31 12.780 9.455 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.784 10.638 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.407 11.293 2.847 1.00 0.00 H new ATOM 257 N GLY A 32 11.396 8.209 2.127 1.00 0.00 N ATOM 258 CA GLY A 32 11.687 7.036 1.266 1.00 0.00 C ATOM 259 C GLY A 32 10.690 5.867 1.429 1.00 0.00 C ATOM 260 O GLY A 32 9.845 5.831 2.334 1.00 0.00 O ATOM 0 H GLY A 32 10.509 8.157 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.687 7.356 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.691 6.676 1.489 1.00 0.00 H new ATOM 261 N CYS A 33 10.838 4.878 0.535 1.00 0.00 N ATOM 262 CA CYS A 33 10.051 3.620 0.609 1.00 0.00 C ATOM 263 C CYS A 33 10.993 2.375 0.566 1.00 0.00 C ATOM 264 O CYS A 33 11.833 2.237 -0.330 1.00 0.00 O ATOM 265 CB CYS A 33 9.058 3.583 -0.564 1.00 0.00 C ATOM 266 SG CYS A 33 7.885 4.947 -0.460 1.00 0.00 S ATOM 0 H CYS A 33 11.491 4.916 -0.248 1.00 0.00 H new ATOM 0 HA CYS A 33 9.505 3.591 1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.602 3.637 -1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.520 2.635 -0.560 1.00 0.00 H new ATOM 267 N ASP A 34 10.824 1.450 1.528 1.00 0.00 N ATOM 268 CA ASP A 34 11.570 0.160 1.511 1.00 0.00 C ATOM 269 C ASP A 34 10.761 -0.924 0.718 1.00 0.00 C ATOM 270 O ASP A 34 9.535 -1.041 0.854 1.00 0.00 O ATOM 271 CB ASP A 34 11.850 -0.241 2.984 1.00 0.00 C ATOM 272 CG ASP A 34 12.761 -1.460 3.134 1.00 0.00 C ATOM 273 OD1 ASP A 34 14.055 -1.176 2.822 1.00 0.00 O ATOM 274 OD2 ASP A 34 12.368 -2.565 3.490 1.00 0.00 O ATOM 0 H ASP A 34 10.190 1.560 2.319 1.00 0.00 H new ATOM 0 HA ASP A 34 12.524 0.256 0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.304 0.605 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.902 -0.446 3.481 1.00 0.00 H new ATOM 275 N SER A 35 11.465 -1.713 -0.119 1.00 0.00 N ATOM 276 CA SER A 35 10.790 -2.724 -0.975 1.00 0.00 C ATOM 277 C SER A 35 10.591 -4.082 -0.228 1.00 0.00 C ATOM 278 O SER A 35 11.551 -4.811 0.047 1.00 0.00 O ATOM 279 CB SER A 35 11.579 -2.903 -2.289 1.00 0.00 C ATOM 280 OG SER A 35 10.739 -3.510 -3.275 1.00 0.00 O ATOM 0 H SER A 35 12.479 -1.676 -0.224 1.00 0.00 H new ATOM 0 HA SER A 35 9.791 -2.360 -1.216 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.935 -1.936 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.459 -3.523 -2.115 1.00 0.00 H new ATOM 0 HG SER A 35 10.492 -2.843 -3.950 1.00 0.00 H new ATOM 281 N PHE A 36 9.329 -4.406 0.090 1.00 0.00 N ATOM 282 CA PHE A 36 8.984 -5.669 0.801 1.00 0.00 C ATOM 283 C PHE A 36 8.310 -6.663 -0.199 1.00 0.00 C ATOM 284 O PHE A 36 7.265 -6.364 -0.786 1.00 0.00 O ATOM 285 CB PHE A 36 8.005 -5.348 1.968 1.00 0.00 C ATOM 286 CG PHE A 36 8.640 -4.760 3.243 1.00 0.00 C ATOM 287 CD1 PHE A 36 8.840 -3.381 3.371 1.00 0.00 C ATOM 288 CD2 PHE A 36 8.941 -5.600 4.321 1.00 0.00 C ATOM 289 CE1 PHE A 36 9.319 -2.850 4.567 1.00 0.00 C ATOM 290 CE2 PHE A 36 9.430 -5.067 5.511 1.00 0.00 C ATOM 291 CZ PHE A 36 9.616 -3.692 5.634 1.00 0.00 C ATOM 0 H PHE A 36 8.524 -3.819 -0.129 1.00 0.00 H new ATOM 0 HA PHE A 36 9.889 -6.125 1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.255 -4.646 1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.480 -6.264 2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.622 -2.726 2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.793 -6.666 4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.460 -1.784 4.666 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.665 -5.720 6.339 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.991 -3.279 6.559 1.00 0.00 H new ATOM 292 N TRP A 37 8.875 -7.875 -0.356 1.00 0.00 N ATOM 293 CA TRP A 37 8.217 -8.943 -1.175 1.00 0.00 C ATOM 294 C TRP A 37 6.956 -9.523 -0.429 1.00 0.00 C ATOM 295 O TRP A 37 6.985 -9.782 0.779 1.00 0.00 O ATOM 296 CB TRP A 37 9.255 -10.037 -1.544 1.00 0.00 C ATOM 297 CG TRP A 37 10.319 -9.585 -2.565 1.00 0.00 C ATOM 298 CD1 TRP A 37 11.603 -9.081 -2.254 1.00 0.00 C ATOM 299 CD2 TRP A 37 10.251 -9.600 -3.943 1.00 0.00 C ATOM 300 NE1 TRP A 37 12.334 -8.774 -3.429 1.00 0.00 N ATOM 301 CE2 TRP A 37 11.464 -9.109 -4.454 1.00 0.00 C ATOM 302 CE3 TRP A 37 9.223 -10.035 -4.812 1.00 0.00 C ATOM 303 CZ2 TRP A 37 11.679 -9.039 -5.848 1.00 0.00 C ATOM 304 CZ3 TRP A 37 9.443 -9.951 -6.192 1.00 0.00 C ATOM 305 CH2 TRP A 37 10.655 -9.461 -6.703 1.00 0.00 C ATOM 0 H TRP A 37 9.766 -8.148 0.058 1.00 0.00 H new ATOM 0 HA TRP A 37 7.850 -8.514 -2.108 1.00 0.00 H new ATOM 0 HB2 TRP A 37 9.758 -10.366 -0.634 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.727 -10.901 -1.946 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.978 -8.947 -1.250 1.00 0.00 H new ATOM 0 HE1 TRP A 37 13.278 -8.396 -3.503 1.00 0.00 H new ATOM 0 HE3 TRP A 37 8.293 -10.422 -4.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.612 -8.668 -6.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 8.668 -10.268 -6.874 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.799 -9.409 -7.772 1.00 0.00 H new ATOM 306 N ILE A 38 5.825 -9.647 -1.150 1.00 0.00 N ATOM 307 CA ILE A 38 4.482 -9.802 -0.493 1.00 0.00 C ATOM 308 C ILE A 38 4.112 -11.311 -0.265 1.00 0.00 C ATOM 309 O ILE A 38 3.910 -11.732 0.876 1.00 0.00 O ATOM 310 CB ILE A 38 3.353 -9.021 -1.289 1.00 0.00 C ATOM 311 CG1 ILE A 38 3.694 -7.538 -1.631 1.00 0.00 C ATOM 312 CG2 ILE A 38 2.021 -9.041 -0.495 1.00 0.00 C ATOM 313 CD1 ILE A 38 2.806 -6.941 -2.746 1.00 0.00 C ATOM 0 H ILE A 38 5.797 -9.645 -2.170 1.00 0.00 H new ATOM 0 HA ILE A 38 4.549 -9.347 0.495 1.00 0.00 H new ATOM 0 HB ILE A 38 3.268 -9.553 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.589 -6.933 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.738 -7.475 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.256 -8.501 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.702 -10.072 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.168 -8.563 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.100 -5.908 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.929 -7.522 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.762 -6.971 -2.435 1.00 0.00 H new ATOM 314 N CYS A 39 3.960 -12.092 -1.361 1.00 0.00 N ATOM 315 CA CYS A 39 3.380 -13.472 -1.319 1.00 0.00 C ATOM 316 C CYS A 39 1.843 -13.540 -0.875 1.00 0.00 C ATOM 317 O CYS A 39 1.279 -12.519 -0.462 1.00 0.00 O ATOM 318 CB CYS A 39 4.358 -14.451 -0.603 1.00 0.00 C ATOM 319 SG CYS A 39 4.642 -15.883 -1.673 1.00 0.00 S ATOM 0 H CYS A 39 4.232 -11.793 -2.298 1.00 0.00 H new ATOM 0 HA CYS A 39 3.300 -13.835 -2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.301 -13.950 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.940 -14.771 0.351 1.00 0.00 H new ATOM 320 N PRO A 40 1.103 -14.698 -0.984 1.00 0.00 N ATOM 321 CA PRO A 40 -0.378 -14.736 -0.770 1.00 0.00 C ATOM 322 C PRO A 40 -1.000 -14.225 0.566 1.00 0.00 C ATOM 323 O PRO A 40 -2.014 -13.522 0.508 1.00 0.00 O ATOM 324 CB PRO A 40 -0.711 -16.217 -1.029 1.00 0.00 C ATOM 325 CG PRO A 40 0.318 -16.648 -2.068 1.00 0.00 C ATOM 326 CD PRO A 40 1.597 -15.927 -1.640 1.00 0.00 C ATOM 0 HA PRO A 40 -0.832 -13.998 -1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.631 -16.810 -0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.729 -16.339 -1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.452 -17.730 -2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.015 -16.360 -3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.190 -16.535 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.232 -15.697 -2.495 1.00 0.00 H new ATOM 327 N GLU A 41 -0.445 -14.564 1.753 1.00 0.00 N ATOM 328 CA GLU A 41 -1.081 -14.158 3.051 1.00 0.00 C ATOM 329 C GLU A 41 -0.714 -12.681 3.469 1.00 0.00 C ATOM 330 O GLU A 41 -0.027 -12.414 4.460 1.00 0.00 O ATOM 331 CB GLU A 41 -0.779 -15.265 4.103 1.00 0.00 C ATOM 332 CG GLU A 41 -1.521 -15.123 5.461 1.00 0.00 C ATOM 333 CD GLU A 41 -3.046 -15.096 5.365 1.00 0.00 C ATOM 334 OE1 GLU A 41 -3.585 -16.345 5.342 1.00 0.00 O ATOM 335 OE2 GLU A 41 -3.702 -14.058 5.308 1.00 0.00 O ATOM 0 H GLU A 41 0.416 -15.102 1.851 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.165 -14.100 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.034 -16.232 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.294 -15.275 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.227 -15.951 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.186 -14.206 5.946 1.00 0.00 H new ATOM 336 N ASP A 42 -1.246 -11.753 2.650 1.00 0.00 N ATOM 337 CA ASP A 42 -1.087 -10.272 2.790 1.00 0.00 C ATOM 338 C ASP A 42 -1.825 -9.557 1.586 1.00 0.00 C ATOM 339 O ASP A 42 -2.542 -8.577 1.799 1.00 0.00 O ATOM 340 CB ASP A 42 0.400 -9.806 2.888 1.00 0.00 C ATOM 341 CG ASP A 42 0.541 -8.300 3.118 1.00 0.00 C ATOM 342 OD1 ASP A 42 0.238 -7.945 4.391 1.00 0.00 O ATOM 343 OD2 ASP A 42 0.875 -7.500 2.251 1.00 0.00 O ATOM 0 H ASP A 42 -1.817 -12.010 1.845 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.542 -9.985 3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.889 -10.340 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.921 -10.078 1.970 1.00 0.00 H new ATOM 344 N HIS A 43 -1.625 -10.030 0.327 1.00 0.00 N ATOM 345 CA HIS A 43 -2.273 -9.436 -0.878 1.00 0.00 C ATOM 346 C HIS A 43 -3.827 -9.699 -0.919 1.00 0.00 C ATOM 347 O HIS A 43 -4.296 -10.694 -1.482 1.00 0.00 O ATOM 348 CB HIS A 43 -1.511 -10.052 -2.095 1.00 0.00 C ATOM 349 CG HIS A 43 -1.930 -9.525 -3.471 1.00 0.00 C ATOM 350 ND1 HIS A 43 -3.037 -9.989 -4.163 1.00 0.00 N ATOM 351 CD2 HIS A 43 -1.236 -8.580 -4.255 1.00 0.00 C ATOM 352 CE1 HIS A 43 -2.939 -9.261 -5.316 1.00 0.00 C ATOM 353 NE2 HIS A 43 -1.890 -8.398 -5.470 1.00 0.00 N ATOM 0 H HIS A 43 -1.019 -10.823 0.118 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.201 -8.348 -0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.445 -9.868 -1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.652 -11.133 -2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.331 -8.072 -3.957 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.680 -9.366 -6.095 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.653 -7.791 -6.255 1.00 0.00 H new ATOM 354 N THR A 44 -4.613 -8.761 -0.361 1.00 0.00 N ATOM 355 CA THR A 44 -6.111 -8.878 -0.343 1.00 0.00 C ATOM 356 C THR A 44 -6.803 -8.130 -1.546 1.00 0.00 C ATOM 357 O THR A 44 -7.716 -7.317 -1.356 1.00 0.00 O ATOM 358 CB THR A 44 -6.632 -8.448 1.071 1.00 0.00 C ATOM 359 OG1 THR A 44 -8.047 -8.585 1.106 1.00 0.00 O ATOM 360 CG2 THR A 44 -6.304 -7.002 1.503 1.00 0.00 C ATOM 0 H THR A 44 -4.255 -7.915 0.083 1.00 0.00 H new ATOM 0 HA THR A 44 -6.395 -9.918 -0.503 1.00 0.00 H new ATOM 0 HB THR A 44 -6.109 -9.105 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.442 -8.094 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.713 -6.817 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.223 -6.865 1.525 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.744 -6.302 0.793 1.00 0.00 H new ATOM 361 N GLY A 45 -6.380 -8.448 -2.787 1.00 0.00 N ATOM 362 CA GLY A 45 -6.893 -7.760 -4.007 1.00 0.00 C ATOM 363 C GLY A 45 -5.809 -6.928 -4.727 1.00 0.00 C ATOM 364 O GLY A 45 -5.300 -7.336 -5.774 1.00 0.00 O ATOM 0 H GLY A 45 -5.688 -9.172 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.291 -8.504 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.720 -7.107 -3.729 1.00 0.00 H new ATOM 365 N ALA A 46 -5.474 -5.752 -4.168 1.00 0.00 N ATOM 366 CA ALA A 46 -4.523 -4.809 -4.821 1.00 0.00 C ATOM 367 C ALA A 46 -3.021 -5.029 -4.418 1.00 0.00 C ATOM 368 O ALA A 46 -2.693 -5.542 -3.341 1.00 0.00 O ATOM 369 CB ALA A 46 -4.999 -3.387 -4.451 1.00 0.00 C ATOM 0 H ALA A 46 -5.839 -5.425 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.534 -4.979 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.335 -2.651 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.014 -3.236 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.984 -3.269 -3.368 1.00 0.00 H new ATOM 370 N ASP A 47 -2.103 -4.588 -5.303 1.00 0.00 N ATOM 371 CA ASP A 47 -0.648 -4.514 -4.966 1.00 0.00 C ATOM 372 C ASP A 47 -0.333 -3.207 -4.165 1.00 0.00 C ATOM 373 O ASP A 47 -0.766 -2.107 -4.530 1.00 0.00 O ATOM 374 CB ASP A 47 0.191 -4.563 -6.277 1.00 0.00 C ATOM 375 CG ASP A 47 0.299 -5.965 -6.885 1.00 0.00 C ATOM 376 OD1 ASP A 47 -0.655 -6.585 -7.348 1.00 0.00 O ATOM 377 OD2 ASP A 47 1.571 -6.452 -6.836 1.00 0.00 O ATOM 0 H ASP A 47 -2.330 -4.279 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.385 -5.366 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.257 -3.892 -7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.193 -4.187 -6.071 1.00 0.00 H new ATOM 378 N TYR A 48 0.451 -3.336 -3.077 1.00 0.00 N ATOM 379 CA TYR A 48 0.768 -2.171 -2.193 1.00 0.00 C ATOM 380 C TYR A 48 1.943 -1.292 -2.772 1.00 0.00 C ATOM 381 O TYR A 48 3.072 -1.304 -2.270 1.00 0.00 O ATOM 382 CB TYR A 48 1.078 -2.705 -0.763 1.00 0.00 C ATOM 383 CG TYR A 48 -0.093 -3.361 0.000 1.00 0.00 C ATOM 384 CD1 TYR A 48 -1.061 -2.563 0.619 1.00 0.00 C ATOM 385 CD2 TYR A 48 -0.152 -4.753 0.148 1.00 0.00 C ATOM 386 CE1 TYR A 48 -2.074 -3.149 1.377 1.00 0.00 C ATOM 387 CE2 TYR A 48 -1.167 -5.334 0.906 1.00 0.00 C ATOM 388 CZ TYR A 48 -2.123 -4.533 1.522 1.00 0.00 C ATOM 389 OH TYR A 48 -3.105 -5.112 2.281 1.00 0.00 O ATOM 0 H TYR A 48 0.876 -4.215 -2.783 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.095 -1.506 -2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.885 -3.433 -0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.453 -1.875 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.024 -1.489 0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.591 -5.377 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.821 -2.530 1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.211 -6.408 1.015 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.992 -6.085 2.275 1.00 0.00 H new ATOM 390 N TYR A 49 1.641 -0.535 -3.852 1.00 0.00 N ATOM 391 CA TYR A 49 2.660 0.233 -4.645 1.00 0.00 C ATOM 392 C TYR A 49 3.738 -0.682 -5.320 1.00 0.00 C ATOM 393 O TYR A 49 4.679 -1.140 -4.671 1.00 0.00 O ATOM 394 CB TYR A 49 3.314 1.420 -3.864 1.00 0.00 C ATOM 395 CG TYR A 49 2.341 2.549 -3.468 1.00 0.00 C ATOM 396 CD1 TYR A 49 1.680 3.287 -4.458 1.00 0.00 C ATOM 397 CD2 TYR A 49 2.114 2.850 -2.123 1.00 0.00 C ATOM 398 CE1 TYR A 49 0.778 4.287 -4.103 1.00 0.00 C ATOM 399 CE2 TYR A 49 1.216 3.860 -1.773 1.00 0.00 C ATOM 400 CZ TYR A 49 0.540 4.565 -2.762 1.00 0.00 C ATOM 401 OH TYR A 49 -0.378 5.516 -2.408 1.00 0.00 O ATOM 0 H TYR A 49 0.690 -0.432 -4.207 1.00 0.00 H new ATOM 0 HA TYR A 49 2.082 0.687 -5.450 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.781 1.028 -2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.110 1.844 -4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.871 3.080 -5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.634 2.300 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.263 4.847 -4.870 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.046 4.094 -0.732 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.420 5.582 -1.431 1.00 0.00 H new ATOM 402 N SER A 50 3.618 -0.915 -6.641 1.00 0.00 N ATOM 403 CA SER A 50 4.634 -1.723 -7.392 1.00 0.00 C ATOM 404 C SER A 50 6.001 -1.012 -7.718 1.00 0.00 C ATOM 405 O SER A 50 6.981 -1.704 -8.010 1.00 0.00 O ATOM 406 CB SER A 50 3.965 -2.257 -8.683 1.00 0.00 C ATOM 407 OG SER A 50 3.618 -1.198 -9.580 1.00 0.00 O ATOM 0 H SER A 50 2.848 -0.569 -7.213 1.00 0.00 H new ATOM 0 HA SER A 50 4.935 -2.527 -6.720 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.642 -2.950 -9.183 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.069 -2.820 -8.422 1.00 0.00 H new ATOM 0 HG SER A 50 3.200 -1.573 -10.383 1.00 0.00 H new ATOM 408 N SER A 51 6.073 0.339 -7.682 1.00 0.00 N ATOM 409 CA SER A 51 7.352 1.077 -7.910 1.00 0.00 C ATOM 410 C SER A 51 7.679 2.077 -6.751 1.00 0.00 C ATOM 411 O SER A 51 6.789 2.592 -6.060 1.00 0.00 O ATOM 412 CB SER A 51 7.285 1.810 -9.279 1.00 0.00 C ATOM 413 OG SER A 51 6.406 2.940 -9.246 1.00 0.00 O ATOM 0 H SER A 51 5.271 0.942 -7.499 1.00 0.00 H new ATOM 0 HA SER A 51 8.165 0.351 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.285 2.138 -9.563 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.949 1.113 -10.046 1.00 0.00 H new ATOM 0 HG SER A 51 5.493 2.651 -9.455 1.00 0.00 H new ATOM 414 N TYR A 52 8.982 2.405 -6.604 1.00 0.00 N ATOM 415 CA TYR A 52 9.430 3.501 -5.686 1.00 0.00 C ATOM 416 C TYR A 52 8.828 4.911 -6.045 1.00 0.00 C ATOM 417 O TYR A 52 8.389 5.629 -5.146 1.00 0.00 O ATOM 418 CB TYR A 52 10.991 3.505 -5.679 1.00 0.00 C ATOM 419 CG TYR A 52 11.642 4.354 -4.565 1.00 0.00 C ATOM 420 CD1 TYR A 52 11.799 5.736 -4.730 1.00 0.00 C ATOM 421 CD2 TYR A 52 12.135 3.743 -3.407 1.00 0.00 C ATOM 422 CE1 TYR A 52 12.426 6.493 -3.743 1.00 0.00 C ATOM 423 CE2 TYR A 52 12.777 4.503 -2.430 1.00 0.00 C ATOM 424 CZ TYR A 52 12.913 5.878 -2.595 1.00 0.00 C ATOM 425 OH TYR A 52 13.539 6.626 -1.634 1.00 0.00 O ATOM 0 H TYR A 52 9.742 1.938 -7.099 1.00 0.00 H new ATOM 0 HA TYR A 52 9.048 3.302 -4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.340 2.477 -5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.342 3.871 -6.644 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.433 6.216 -5.625 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.018 2.678 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.534 7.560 -3.870 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.169 4.024 -1.545 1.00 0.00 H new ATOM 0 HH TYR A 52 13.818 6.044 -0.897 1.00 0.00 H new ATOM 426 N ARG A 53 8.785 5.287 -7.346 1.00 0.00 N ATOM 427 CA ARG A 53 8.126 6.551 -7.796 1.00 0.00 C ATOM 428 C ARG A 53 6.631 6.730 -7.338 1.00 0.00 C ATOM 429 O ARG A 53 6.282 7.806 -6.839 1.00 0.00 O ATOM 430 CB ARG A 53 8.285 6.636 -9.346 1.00 0.00 C ATOM 431 CG ARG A 53 7.715 7.908 -10.044 1.00 0.00 C ATOM 432 CD ARG A 53 8.442 9.233 -9.722 1.00 0.00 C ATOM 433 NE ARG A 53 8.039 9.769 -8.387 1.00 0.00 N ATOM 434 CZ ARG A 53 8.619 10.824 -7.803 1.00 0.00 C ATOM 435 NH1 ARG A 53 9.566 11.528 -8.376 1.00 0.00 N ATOM 436 NH2 ARG A 53 8.227 11.170 -6.614 1.00 0.00 N ATOM 0 H ARG A 53 9.195 4.741 -8.104 1.00 0.00 H new ATOM 0 HA ARG A 53 8.627 7.384 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.347 6.566 -9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.802 5.763 -9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.744 7.752 -11.122 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.666 8.014 -9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.520 9.071 -9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.217 9.969 -10.494 1.00 0.00 H new ATOM 0 HE ARG A 53 7.278 9.304 -7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.892 11.279 -9.310 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.976 12.324 -7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.492 10.641 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.655 11.971 -6.149 1.00 0.00 H new ATOM 437 N ASP A 54 5.780 5.691 -7.503 1.00 0.00 N ATOM 438 CA ASP A 54 4.356 5.737 -7.030 1.00 0.00 C ATOM 439 C ASP A 54 4.191 5.832 -5.470 1.00 0.00 C ATOM 440 O ASP A 54 3.354 6.598 -4.983 1.00 0.00 O ATOM 441 CB ASP A 54 3.581 4.506 -7.580 1.00 0.00 C ATOM 442 CG ASP A 54 3.413 4.478 -9.102 1.00 0.00 C ATOM 443 OD1 ASP A 54 3.047 5.443 -9.766 1.00 0.00 O ATOM 444 OD2 ASP A 54 3.704 3.255 -9.632 1.00 0.00 O ATOM 0 H ASP A 54 6.041 4.814 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 54 3.936 6.663 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.100 3.599 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.593 4.481 -7.119 1.00 0.00 H new ATOM 445 N CYS A 55 4.994 5.082 -4.688 1.00 0.00 N ATOM 446 CA CYS A 55 5.061 5.283 -3.212 1.00 0.00 C ATOM 447 C CYS A 55 5.634 6.678 -2.768 1.00 0.00 C ATOM 448 O CYS A 55 5.078 7.309 -1.865 1.00 0.00 O ATOM 449 CB CYS A 55 5.884 4.109 -2.652 1.00 0.00 C ATOM 450 SG CYS A 55 6.064 4.238 -0.865 1.00 0.00 S ATOM 0 H CYS A 55 5.600 4.340 -5.040 1.00 0.00 H new ATOM 0 HA CYS A 55 4.050 5.295 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.398 3.167 -2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.868 4.095 -3.120 1.00 0.00 H new ATOM 451 N PHE A 56 6.724 7.167 -3.400 1.00 0.00 N ATOM 452 CA PHE A 56 7.340 8.471 -3.025 1.00 0.00 C ATOM 453 C PHE A 56 6.448 9.731 -3.335 1.00 0.00 C ATOM 454 O PHE A 56 6.363 10.618 -2.483 1.00 0.00 O ATOM 455 CB PHE A 56 8.751 8.547 -3.677 1.00 0.00 C ATOM 456 CG PHE A 56 9.711 9.538 -2.990 1.00 0.00 C ATOM 457 CD1 PHE A 56 9.661 10.909 -3.271 1.00 0.00 C ATOM 458 CD2 PHE A 56 10.668 9.059 -2.090 1.00 0.00 C ATOM 459 CE1 PHE A 56 10.563 11.783 -2.669 1.00 0.00 C ATOM 460 CE2 PHE A 56 11.577 9.933 -1.499 1.00 0.00 C ATOM 461 CZ PHE A 56 11.524 11.293 -1.789 1.00 0.00 C ATOM 0 H PHE A 56 7.196 6.687 -4.166 1.00 0.00 H new ATOM 0 HA PHE A 56 7.432 8.504 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.200 7.554 -3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.641 8.831 -4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.920 11.290 -3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.702 8.006 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.517 12.840 -2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.323 9.555 -0.816 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.230 11.970 -1.330 1.00 0.00 H new ATOM 462 N ASN A 57 5.786 9.834 -4.515 1.00 0.00 N ATOM 463 CA ASN A 57 4.812 10.957 -4.758 1.00 0.00 C ATOM 464 C ASN A 57 3.498 10.904 -3.891 1.00 0.00 C ATOM 465 O ASN A 57 3.082 11.941 -3.369 1.00 0.00 O ATOM 466 CB ASN A 57 4.541 11.180 -6.279 1.00 0.00 C ATOM 467 CG ASN A 57 3.935 10.018 -7.089 1.00 0.00 C ATOM 468 OD1 ASN A 57 3.449 9.023 -6.569 1.00 0.00 O ATOM 469 ND2 ASN A 57 3.948 10.128 -8.395 1.00 0.00 N ATOM 0 H ASN A 57 5.894 9.185 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 57 5.318 11.849 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.874 12.037 -6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.485 11.456 -6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.554 9.386 -8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.352 10.956 -8.833 1.00 0.00 H new ATOM 470 N ALA A 58 2.865 9.725 -3.714 1.00 0.00 N ATOM 471 CA ALA A 58 1.638 9.612 -2.874 1.00 0.00 C ATOM 472 C ALA A 58 1.871 9.721 -1.322 1.00 0.00 C ATOM 473 O ALA A 58 1.104 10.408 -0.639 1.00 0.00 O ATOM 474 CB ALA A 58 0.947 8.293 -3.257 1.00 0.00 C ATOM 0 H ALA A 58 3.172 8.846 -4.131 1.00 0.00 H new ATOM 0 HA ALA A 58 1.007 10.475 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.041 8.171 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.687 8.312 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.622 7.459 -3.064 1.00 0.00 H new ATOM 475 N CYS A 59 2.900 9.050 -0.760 1.00 0.00 N ATOM 476 CA CYS A 59 3.221 9.172 0.691 1.00 0.00 C ATOM 477 C CYS A 59 4.213 10.324 1.045 1.00 0.00 C ATOM 478 O CYS A 59 3.925 11.107 1.955 1.00 0.00 O ATOM 479 CB CYS A 59 3.692 7.803 1.214 1.00 0.00 C ATOM 480 SG CYS A 59 2.269 6.711 1.291 1.00 0.00 S ATOM 0 H CYS A 59 3.519 8.425 -1.276 1.00 0.00 H new ATOM 0 HA CYS A 59 2.305 9.466 1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.455 7.387 0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.144 7.908 2.200 1.00 0.00 H new ATOM 481 N ILE A 60 5.378 10.418 0.374 1.00 0.00 N ATOM 482 CA ILE A 60 6.433 11.407 0.766 1.00 0.00 C ATOM 483 C ILE A 60 6.151 12.799 0.116 1.00 0.00 C ATOM 484 O ILE A 60 6.037 13.827 0.780 1.00 0.00 O ATOM 485 CB ILE A 60 7.880 10.858 0.468 1.00 0.00 C ATOM 486 CG1 ILE A 60 8.167 9.427 1.031 1.00 0.00 C ATOM 487 CG2 ILE A 60 8.984 11.836 0.950 1.00 0.00 C ATOM 488 CD1 ILE A 60 7.972 9.241 2.552 1.00 0.00 C ATOM 489 OXT ILE A 60 6.057 12.756 -1.254 1.00 0.00 O ATOM 0 H ILE A 60 5.621 9.838 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 60 6.391 11.553 1.845 1.00 0.00 H new ATOM 0 HB ILE A 60 7.909 10.777 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.520 8.719 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.194 9.161 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.965 11.417 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.871 12.792 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.892 11.986 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.200 8.211 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.639 9.915 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.939 9.466 2.817 1.00 0.00 H new TER 490 ILE A 60