USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 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 89 ASN : amide:sc= -0.0468 K(o=0.68,f=-0.96) USER MOD Set 1.2: A 93 SER OG : rot -6:sc= 0.729 USER MOD Set 2.1: A 32 THR OG1 : rot -140:sc= 0 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 0.0138 USER MOD Set 3.1: A 25 SER OG : rot -66:sc= 1.03 USER MOD Set 3.2: A 26 ASN : amide:sc= 0.884 K(o=1.9,f=-0.44) USER MOD Set 4.1: A 10 ASN : amide:sc= 0.62 K(o=1.3,f=-0.54) USER MOD Set 4.2: A 24 LYS NZ :NH3+ -177:sc= 0.691 (180deg=0) USER MOD Set 5.1: A 19 ASN : amide:sc= -0.602 K(o=-0.6,f=-5.4!) USER MOD Set 5.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.264 (180deg=-1.01) USER MOD Single : A 20 SER OG : rot 122:sc= 1.19 USER MOD Single : A 22 GLN : amide:sc= 0.543 K(o=0.54,f=-5.3!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc=-0.00391 K(o=-0.0039,f=-1.8) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 160:sc= -0.434 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 51:sc= 1.22 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -119:sc= 0.00322 (180deg=-0.0256) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 156:sc= 1.28 USER MOD Single : A 78 SER OG : rot 59:sc= 1.19 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 82 THR OG1 : rot 174:sc= 1.24 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -18.000 -26.709 5.773 1.00 0.00 N ATOM 2 CA VAL A 1 -16.664 -26.548 5.124 1.00 0.00 C ATOM 3 C VAL A 1 -16.455 -25.233 4.262 1.00 0.00 C ATOM 4 O VAL A 1 -15.331 -24.724 4.356 1.00 0.00 O ATOM 5 CB VAL A 1 -16.277 -27.894 4.411 1.00 0.00 C ATOM 6 CG1 VAL A 1 -17.068 -28.271 3.139 1.00 0.00 C ATOM 7 CG2 VAL A 1 -14.770 -27.977 4.080 1.00 0.00 C ATOM 0 H1 VAL A 1 -17.929 -27.402 6.546 1.00 0.00 H new ATOM 0 H2 VAL A 1 -18.313 -25.794 6.156 1.00 0.00 H new ATOM 0 H3 VAL A 1 -18.689 -27.044 5.070 1.00 0.00 H new ATOM 0 HA VAL A 1 -15.938 -26.358 5.915 1.00 0.00 H new ATOM 0 HB VAL A 1 -16.560 -28.622 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -16.700 -29.220 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -18.126 -28.365 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -16.937 -27.494 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -14.557 -28.926 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -14.497 -27.156 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -14.191 -27.907 5.001 1.00 0.00 H new ATOM 8 N PRO A 2 -17.373 -24.605 3.449 1.00 0.00 N ATOM 9 CA PRO A 2 -17.058 -23.345 2.712 1.00 0.00 C ATOM 10 C PRO A 2 -17.065 -22.075 3.636 1.00 0.00 C ATOM 11 O PRO A 2 -18.113 -21.489 3.922 1.00 0.00 O ATOM 12 CB PRO A 2 -18.139 -23.359 1.613 1.00 0.00 C ATOM 13 CG PRO A 2 -19.346 -24.044 2.258 1.00 0.00 C ATOM 14 CD PRO A 2 -18.737 -25.106 3.175 1.00 0.00 C ATOM 0 HA PRO A 2 -16.048 -23.296 2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -18.385 -22.348 1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -17.800 -23.903 0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.952 -23.334 2.821 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.996 -24.493 1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -19.313 -25.217 4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.714 -26.083 2.693 1.00 0.00 H new ATOM 15 N ASP A 3 -15.876 -21.668 4.103 1.00 0.00 N ATOM 16 CA ASP A 3 -15.722 -20.553 5.079 1.00 0.00 C ATOM 17 C ASP A 3 -15.193 -19.230 4.395 1.00 0.00 C ATOM 18 O ASP A 3 -13.967 -19.068 4.324 1.00 0.00 O ATOM 19 CB ASP A 3 -14.785 -21.119 6.185 1.00 0.00 C ATOM 20 CG ASP A 3 -14.592 -20.218 7.402 1.00 0.00 C ATOM 21 OD1 ASP A 3 -13.764 -19.166 7.139 1.00 0.00 O ATOM 22 OD2 ASP A 3 -15.118 -20.433 8.488 1.00 0.00 O ATOM 0 H ASP A 3 -14.992 -22.093 3.823 1.00 0.00 H new ATOM 0 HA ASP A 3 -16.673 -20.239 5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.185 -22.076 6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.809 -21.319 5.743 1.00 0.00 H new ATOM 23 N PRO A 4 -16.024 -18.242 3.940 1.00 0.00 N ATOM 24 CA PRO A 4 -15.515 -16.970 3.355 1.00 0.00 C ATOM 25 C PRO A 4 -14.949 -15.975 4.427 1.00 0.00 C ATOM 26 O PRO A 4 -15.695 -15.325 5.162 1.00 0.00 O ATOM 27 CB PRO A 4 -16.763 -16.456 2.606 1.00 0.00 C ATOM 28 CG PRO A 4 -17.953 -16.986 3.410 1.00 0.00 C ATOM 29 CD PRO A 4 -17.496 -18.362 3.889 1.00 0.00 C ATOM 0 HA PRO A 4 -14.648 -17.095 2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -16.773 -15.367 2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.786 -16.822 1.579 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -18.191 -16.331 4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -18.850 -17.056 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -17.912 -18.605 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -17.810 -19.150 3.204 1.00 0.00 H new ATOM 30 N ARG A 5 -13.615 -15.862 4.501 1.00 0.00 N ATOM 31 CA ARG A 5 -12.932 -15.024 5.538 1.00 0.00 C ATOM 32 C ARG A 5 -13.071 -13.458 5.407 1.00 0.00 C ATOM 33 O ARG A 5 -13.044 -12.762 6.428 1.00 0.00 O ATOM 34 CB ARG A 5 -11.448 -15.501 5.540 1.00 0.00 C ATOM 35 CG ARG A 5 -10.527 -14.985 6.679 1.00 0.00 C ATOM 36 CD ARG A 5 -10.863 -15.461 8.108 1.00 0.00 C ATOM 37 NE ARG A 5 -11.960 -14.640 8.682 1.00 0.00 N ATOM 38 CZ ARG A 5 -12.774 -15.016 9.658 1.00 0.00 C ATOM 39 NH1 ARG A 5 -12.643 -16.121 10.343 1.00 0.00 N ATOM 40 NH2 ARG A 5 -13.767 -14.234 9.944 1.00 0.00 N ATOM 0 H ARG A 5 -12.975 -16.334 3.863 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.435 -15.181 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.446 -16.590 5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.001 -15.211 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.504 -15.284 6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.550 -13.895 6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.157 -16.510 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.978 -15.389 8.740 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.098 -13.708 8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.874 -16.759 10.139 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.310 -16.345 11.082 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.899 -13.366 9.425 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.417 -14.486 10.688 1.00 0.00 H new ATOM 41 N GLY A 6 -13.233 -12.895 4.193 1.00 0.00 N ATOM 42 CA GLY A 6 -13.362 -11.422 3.988 1.00 0.00 C ATOM 43 C GLY A 6 -14.736 -10.783 4.264 1.00 0.00 C ATOM 44 O GLY A 6 -15.445 -10.361 3.350 1.00 0.00 O ATOM 0 H GLY A 6 -13.279 -13.435 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -12.628 -10.928 4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.089 -11.201 2.956 1.00 0.00 H new ATOM 45 N ILE A 7 -15.056 -10.702 5.552 1.00 0.00 N ATOM 46 CA ILE A 7 -16.347 -10.134 6.061 1.00 0.00 C ATOM 47 C ILE A 7 -16.119 -8.642 6.510 1.00 0.00 C ATOM 48 O ILE A 7 -16.677 -7.727 5.901 1.00 0.00 O ATOM 49 CB ILE A 7 -16.943 -11.089 7.171 1.00 0.00 C ATOM 50 CG1 ILE A 7 -17.166 -12.570 6.726 1.00 0.00 C ATOM 51 CG2 ILE A 7 -18.277 -10.552 7.753 1.00 0.00 C ATOM 52 CD1 ILE A 7 -18.079 -12.818 5.507 1.00 0.00 C ATOM 0 H ILE A 7 -14.437 -11.025 6.295 1.00 0.00 H new ATOM 0 HA ILE A 7 -17.106 -10.091 5.279 1.00 0.00 H new ATOM 0 HB ILE A 7 -16.164 -11.092 7.933 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -16.191 -13.007 6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -17.580 -13.117 7.573 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -18.647 -11.242 8.511 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -18.110 -9.574 8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -19.013 -10.463 6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -18.143 -13.889 5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -19.075 -12.426 5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -17.665 -12.315 4.634 1.00 0.00 H new ATOM 53 N ILE A 8 -15.331 -8.400 7.577 1.00 0.00 N ATOM 54 CA ILE A 8 -14.933 -7.019 8.021 1.00 0.00 C ATOM 55 C ILE A 8 -13.425 -6.797 7.635 1.00 0.00 C ATOM 56 O ILE A 8 -13.121 -5.837 6.922 1.00 0.00 O ATOM 57 CB ILE A 8 -15.268 -6.783 9.543 1.00 0.00 C ATOM 58 CG1 ILE A 8 -16.775 -6.962 9.912 1.00 0.00 C ATOM 59 CG2 ILE A 8 -14.810 -5.382 10.034 1.00 0.00 C ATOM 60 CD1 ILE A 8 -17.800 -6.089 9.157 1.00 0.00 C ATOM 0 H ILE A 8 -14.947 -9.142 8.162 1.00 0.00 H new ATOM 0 HA ILE A 8 -15.518 -6.258 7.505 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.706 -7.566 10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -17.039 -8.007 9.751 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.886 -6.766 10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -15.062 -5.266 11.088 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.732 -5.286 9.906 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.314 -4.610 9.453 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -18.805 -6.317 9.513 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -17.582 -5.036 9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -17.738 -6.297 8.089 1.00 0.00 H new ATOM 61 N ILE A 9 -12.483 -7.626 8.130 1.00 0.00 N ATOM 62 CA ILE A 9 -11.049 -7.586 7.702 1.00 0.00 C ATOM 63 C ILE A 9 -10.749 -8.765 6.702 1.00 0.00 C ATOM 64 O ILE A 9 -11.597 -9.611 6.407 1.00 0.00 O ATOM 65 CB ILE A 9 -10.067 -7.533 8.935 1.00 0.00 C ATOM 66 CG1 ILE A 9 -10.027 -8.823 9.809 1.00 0.00 C ATOM 67 CG2 ILE A 9 -10.341 -6.282 9.804 1.00 0.00 C ATOM 68 CD1 ILE A 9 -8.867 -8.862 10.823 1.00 0.00 C ATOM 0 H ILE A 9 -12.681 -8.339 8.832 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.868 -6.658 7.160 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.071 -7.465 8.497 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.970 -8.912 10.349 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.951 -9.691 9.153 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.652 -6.267 10.648 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.199 -5.384 9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.366 -6.313 10.173 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.911 -9.791 11.391 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.917 -8.806 10.291 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.951 -8.016 11.505 1.00 0.00 H new ATOM 69 N ASN A 10 -9.507 -8.824 6.186 1.00 0.00 N ATOM 70 CA ASN A 10 -9.038 -9.869 5.217 1.00 0.00 C ATOM 71 C ASN A 10 -9.787 -9.854 3.824 1.00 0.00 C ATOM 72 O ASN A 10 -10.344 -10.866 3.391 1.00 0.00 O ATOM 73 CB ASN A 10 -9.034 -11.245 5.960 1.00 0.00 C ATOM 74 CG ASN A 10 -8.126 -12.318 5.377 1.00 0.00 C ATOM 75 OD1 ASN A 10 -8.543 -13.218 4.659 1.00 0.00 O ATOM 76 ND2 ASN A 10 -6.858 -12.290 5.685 1.00 0.00 N ATOM 0 H ASN A 10 -8.783 -8.146 6.424 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.019 -9.643 4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.742 -11.074 6.996 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.054 -11.630 5.975 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.231 -13.011 5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.494 -11.547 6.282 1.00 0.00 H new ATOM 77 N LEU A 11 -9.764 -8.721 3.092 1.00 0.00 N ATOM 78 CA LEU A 11 -10.531 -8.557 1.817 1.00 0.00 C ATOM 79 C LEU A 11 -9.709 -8.051 0.579 1.00 0.00 C ATOM 80 O LEU A 11 -8.545 -7.650 0.650 1.00 0.00 O ATOM 81 CB LEU A 11 -11.822 -7.753 2.157 1.00 0.00 C ATOM 82 CG LEU A 11 -11.692 -6.234 2.452 1.00 0.00 C ATOM 83 CD1 LEU A 11 -12.155 -5.363 1.279 1.00 0.00 C ATOM 84 CD2 LEU A 11 -12.487 -5.839 3.705 1.00 0.00 C ATOM 0 H LEU A 11 -9.223 -7.897 3.355 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.811 -9.540 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.515 -7.871 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.285 -8.221 3.026 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.629 -6.054 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.042 -4.311 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.550 -5.585 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.202 -5.572 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.376 -4.770 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.541 -6.074 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.110 -6.392 4.565 1.00 0.00 H new ATOM 85 N ASP A 12 -10.343 -8.122 -0.601 1.00 0.00 N ATOM 86 CA ASP A 12 -9.676 -7.831 -1.907 1.00 0.00 C ATOM 87 C ASP A 12 -9.414 -6.316 -2.214 1.00 0.00 C ATOM 88 O ASP A 12 -9.891 -5.408 -1.526 1.00 0.00 O ATOM 89 CB ASP A 12 -10.579 -8.494 -2.991 1.00 0.00 C ATOM 90 CG ASP A 12 -10.490 -10.015 -3.127 1.00 0.00 C ATOM 91 OD1 ASP A 12 -10.881 -10.664 -1.995 1.00 0.00 O ATOM 92 OD2 ASP A 12 -10.109 -10.575 -4.149 1.00 0.00 O ATOM 0 H ASP A 12 -11.326 -8.380 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.665 -8.239 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.615 -8.232 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.332 -8.052 -3.956 1.00 0.00 H new ATOM 93 N GLU A 13 -8.629 -6.056 -3.277 1.00 0.00 N ATOM 94 CA GLU A 13 -8.341 -4.670 -3.738 1.00 0.00 C ATOM 95 C GLU A 13 -9.563 -4.020 -4.490 1.00 0.00 C ATOM 96 O GLU A 13 -10.418 -4.699 -5.069 1.00 0.00 O ATOM 97 CB GLU A 13 -6.972 -4.691 -4.487 1.00 0.00 C ATOM 98 CG GLU A 13 -6.915 -4.751 -6.034 1.00 0.00 C ATOM 99 CD GLU A 13 -7.516 -6.001 -6.681 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.555 -7.108 -6.152 1.00 0.00 O ATOM 101 OE2 GLU A 13 -8.005 -5.746 -7.922 1.00 0.00 O ATOM 0 H GLU A 13 -8.180 -6.781 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.222 -3.982 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.426 -3.799 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.415 -5.550 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.432 -3.877 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.873 -4.672 -6.342 1.00 0.00 H new ATOM 102 N GLY A 14 -9.639 -2.686 -4.454 1.00 0.00 N ATOM 103 CA GLY A 14 -10.807 -1.916 -4.983 1.00 0.00 C ATOM 104 C GLY A 14 -11.936 -1.574 -3.969 1.00 0.00 C ATOM 105 O GLY A 14 -13.068 -1.324 -4.386 1.00 0.00 O ATOM 0 H GLY A 14 -8.904 -2.097 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.436 -0.983 -5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.247 -2.485 -5.802 1.00 0.00 H new ATOM 106 N GLU A 15 -11.629 -1.539 -2.661 1.00 0.00 N ATOM 107 CA GLU A 15 -12.603 -1.272 -1.567 1.00 0.00 C ATOM 108 C GLU A 15 -12.006 -0.265 -0.523 1.00 0.00 C ATOM 109 O GLU A 15 -10.809 -0.291 -0.207 1.00 0.00 O ATOM 110 CB GLU A 15 -12.958 -2.630 -0.895 1.00 0.00 C ATOM 111 CG GLU A 15 -13.780 -3.633 -1.749 1.00 0.00 C ATOM 112 CD GLU A 15 -15.220 -3.244 -2.095 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.735 -2.155 -1.858 1.00 0.00 O ATOM 114 OE2 GLU A 15 -15.882 -4.263 -2.704 1.00 0.00 O ATOM 0 H GLU A 15 -10.681 -1.697 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.505 -0.814 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.029 -3.117 -0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.516 -2.423 0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.242 -3.801 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.806 -4.585 -1.219 1.00 0.00 H new ATOM 115 N LEU A 16 -12.851 0.631 0.016 1.00 0.00 N ATOM 116 CA LEU A 16 -12.405 1.720 0.936 1.00 0.00 C ATOM 117 C LEU A 16 -12.125 1.250 2.412 1.00 0.00 C ATOM 118 O LEU A 16 -12.841 0.410 2.968 1.00 0.00 O ATOM 119 CB LEU A 16 -13.488 2.838 0.875 1.00 0.00 C ATOM 120 CG LEU A 16 -12.977 4.254 1.253 1.00 0.00 C ATOM 121 CD1 LEU A 16 -12.252 4.933 0.080 1.00 0.00 C ATOM 122 CD2 LEU A 16 -14.137 5.152 1.708 1.00 0.00 C ATOM 0 H LEU A 16 -13.855 0.631 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.436 2.088 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.900 2.872 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.306 2.570 1.544 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.270 4.122 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.910 5.922 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.395 4.329 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.936 5.031 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.753 6.139 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.863 5.246 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.619 4.710 2.580 1.00 0.00 H new ATOM 123 N CYS A 17 -11.083 1.816 3.047 1.00 0.00 N ATOM 124 CA CYS A 17 -10.637 1.424 4.411 1.00 0.00 C ATOM 125 C CYS A 17 -10.395 2.631 5.394 1.00 0.00 C ATOM 126 O CYS A 17 -10.556 3.811 5.066 1.00 0.00 O ATOM 127 CB CYS A 17 -9.299 0.664 4.170 1.00 0.00 C ATOM 128 SG CYS A 17 -7.949 1.870 4.060 1.00 0.00 S ATOM 0 H CYS A 17 -10.521 2.560 2.634 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.413 0.834 4.898 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.112 -0.037 4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.358 0.079 3.252 1.00 0.00 H new ATOM 129 N LEU A 18 -9.964 2.288 6.617 1.00 0.00 N ATOM 130 CA LEU A 18 -9.481 3.260 7.636 1.00 0.00 C ATOM 131 C LEU A 18 -7.923 3.041 7.696 1.00 0.00 C ATOM 132 O LEU A 18 -7.181 3.919 7.264 1.00 0.00 O ATOM 133 CB LEU A 18 -10.240 3.088 8.986 1.00 0.00 C ATOM 134 CG LEU A 18 -11.750 3.444 8.997 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.379 3.026 10.335 1.00 0.00 C ATOM 136 CD2 LEU A 18 -12.007 4.944 8.769 1.00 0.00 C ATOM 0 H LEU A 18 -9.937 1.321 6.940 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.686 4.300 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.134 2.051 9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.742 3.703 9.735 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.208 2.898 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.439 3.280 10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.263 1.951 10.471 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.881 3.551 11.151 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.080 5.136 8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.522 5.520 9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.601 5.240 7.802 1.00 0.00 H new ATOM 137 N ASN A 19 -7.418 1.950 8.311 1.00 0.00 N ATOM 138 CA ASN A 19 -5.971 1.551 8.275 1.00 0.00 C ATOM 139 C ASN A 19 -5.642 0.479 7.152 1.00 0.00 C ATOM 140 O ASN A 19 -6.474 0.184 6.289 1.00 0.00 O ATOM 141 CB ASN A 19 -5.587 1.167 9.741 1.00 0.00 C ATOM 142 CG ASN A 19 -6.233 -0.073 10.355 1.00 0.00 C ATOM 143 OD1 ASN A 19 -5.700 -1.167 10.264 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.364 0.044 10.999 1.00 0.00 N ATOM 0 H ASN A 19 -7.997 1.309 8.853 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.330 2.373 7.956 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.506 1.032 9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.824 2.017 10.381 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.797 -0.777 11.423 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.814 0.956 11.078 1.00 0.00 H new ATOM 145 N SER A 20 -4.436 -0.134 7.164 1.00 0.00 N ATOM 146 CA SER A 20 -4.084 -1.252 6.216 1.00 0.00 C ATOM 147 C SER A 20 -4.397 -2.711 6.689 1.00 0.00 C ATOM 148 O SER A 20 -4.340 -3.625 5.860 1.00 0.00 O ATOM 149 CB SER A 20 -2.594 -1.161 5.827 1.00 0.00 C ATOM 150 OG SER A 20 -2.372 -0.073 4.935 1.00 0.00 O ATOM 0 H SER A 20 -3.686 0.114 7.809 1.00 0.00 H new ATOM 0 HA SER A 20 -4.749 -1.088 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.986 -1.033 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.278 -2.093 5.358 1.00 0.00 H new ATOM 0 HG SER A 20 -1.720 0.544 5.328 1.00 0.00 H new ATOM 151 N ALA A 21 -4.776 -2.952 7.955 1.00 0.00 N ATOM 152 CA ALA A 21 -5.187 -4.308 8.435 1.00 0.00 C ATOM 153 C ALA A 21 -6.628 -4.812 8.039 1.00 0.00 C ATOM 154 O ALA A 21 -7.082 -5.860 8.501 1.00 0.00 O ATOM 155 CB ALA A 21 -5.039 -4.209 9.963 1.00 0.00 C ATOM 0 H ALA A 21 -4.811 -2.232 8.676 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.562 -5.058 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.318 -5.159 10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.004 -3.977 10.214 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.690 -3.421 10.341 1.00 0.00 H new ATOM 156 N GLN A 22 -7.304 -4.097 7.132 1.00 0.00 N ATOM 157 CA GLN A 22 -8.642 -4.458 6.592 1.00 0.00 C ATOM 158 C GLN A 22 -8.586 -5.269 5.250 1.00 0.00 C ATOM 159 O GLN A 22 -9.501 -6.058 5.015 1.00 0.00 O ATOM 160 CB GLN A 22 -9.434 -3.128 6.465 1.00 0.00 C ATOM 161 CG GLN A 22 -9.950 -2.572 7.823 1.00 0.00 C ATOM 162 CD GLN A 22 -10.389 -1.113 7.810 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.630 -0.213 8.147 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.611 -0.824 7.446 1.00 0.00 N ATOM 0 H GLN A 22 -6.938 -3.231 6.738 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.145 -5.147 7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.796 -2.379 5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.284 -3.284 5.801 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.791 -3.183 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.162 -2.690 8.567 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.249 -1.568 7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.927 0.146 7.444 1.00 0.00 H new ATOM 165 N CYS A 23 -7.580 -5.112 4.364 1.00 0.00 N ATOM 166 CA CYS A 23 -7.437 -5.983 3.163 1.00 0.00 C ATOM 167 C CYS A 23 -6.726 -7.353 3.524 1.00 0.00 C ATOM 168 O CYS A 23 -6.518 -7.658 4.703 1.00 0.00 O ATOM 169 CB CYS A 23 -6.850 -5.089 2.065 1.00 0.00 C ATOM 170 SG CYS A 23 -8.103 -3.819 1.741 1.00 0.00 S ATOM 0 H CYS A 23 -6.857 -4.398 4.450 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.373 -6.369 2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.911 -4.639 2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.635 -5.665 1.165 1.00 0.00 H new ATOM 171 N LYS A 24 -6.374 -8.213 2.547 1.00 0.00 N ATOM 172 CA LYS A 24 -5.860 -9.593 2.810 1.00 0.00 C ATOM 173 C LYS A 24 -4.611 -9.708 3.723 1.00 0.00 C ATOM 174 O LYS A 24 -4.697 -10.218 4.844 1.00 0.00 O ATOM 175 CB LYS A 24 -5.701 -10.354 1.456 1.00 0.00 C ATOM 176 CG LYS A 24 -6.966 -10.729 0.648 1.00 0.00 C ATOM 177 CD LYS A 24 -7.900 -11.765 1.307 1.00 0.00 C ATOM 178 CE LYS A 24 -7.437 -13.220 1.135 1.00 0.00 C ATOM 179 NZ LYS A 24 -8.388 -14.114 1.821 1.00 0.00 N ATOM 0 H LYS A 24 -6.434 -7.982 1.555 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.619 -10.079 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.068 -9.746 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.157 -11.276 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.537 -9.820 0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.653 -11.115 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.979 -11.543 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.899 -11.660 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.379 -13.474 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.436 -13.347 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.053 -15.096 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.459 -13.842 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.323 -14.035 1.373 1.00 0.00 H new ATOM 180 N SER A 25 -3.467 -9.270 3.217 1.00 0.00 N ATOM 181 CA SER A 25 -2.227 -9.213 4.043 1.00 0.00 C ATOM 182 C SER A 25 -2.128 -7.868 4.833 1.00 0.00 C ATOM 183 O SER A 25 -2.248 -7.819 6.058 1.00 0.00 O ATOM 184 CB SER A 25 -1.018 -9.546 3.128 1.00 0.00 C ATOM 185 OG SER A 25 0.196 -9.620 3.883 1.00 0.00 O ATOM 0 H SER A 25 -3.352 -8.949 2.256 1.00 0.00 H new ATOM 0 HA SER A 25 -2.240 -9.965 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.193 -10.495 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.923 -8.784 2.355 1.00 0.00 H new ATOM 0 HG SER A 25 0.413 -8.734 4.241 1.00 0.00 H new ATOM 186 N ASN A 26 -1.840 -6.794 4.086 1.00 0.00 N ATOM 187 CA ASN A 26 -1.571 -5.432 4.648 1.00 0.00 C ATOM 188 C ASN A 26 -1.465 -4.366 3.493 1.00 0.00 C ATOM 189 O ASN A 26 -0.394 -3.779 3.298 1.00 0.00 O ATOM 190 CB ASN A 26 -0.309 -5.449 5.585 1.00 0.00 C ATOM 191 CG ASN A 26 0.991 -6.067 5.041 1.00 0.00 C ATOM 192 OD1 ASN A 26 1.190 -7.275 5.052 1.00 0.00 O ATOM 193 ND2 ASN A 26 1.898 -5.282 4.525 1.00 0.00 N ATOM 0 H ASN A 26 -1.783 -6.829 3.068 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.413 -5.135 5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.094 -4.420 5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.577 -5.985 6.495 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.755 -5.678 4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.749 -4.273 4.507 1.00 0.00 H new ATOM 194 N CYS A 27 -2.526 -4.086 2.707 1.00 0.00 N ATOM 195 CA CYS A 27 -2.400 -3.180 1.522 1.00 0.00 C ATOM 196 C CYS A 27 -3.578 -2.184 1.282 1.00 0.00 C ATOM 197 O CYS A 27 -4.339 -2.316 0.318 1.00 0.00 O ATOM 198 CB CYS A 27 -2.119 -4.105 0.305 1.00 0.00 C ATOM 199 SG CYS A 27 -2.088 -3.190 -1.264 1.00 0.00 S ATOM 0 H CYS A 27 -3.463 -4.459 2.857 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.583 -2.482 1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.163 -4.609 0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.884 -4.880 0.256 1.00 0.00 H new ATOM 200 N CYS A 28 -3.705 -1.147 2.129 1.00 0.00 N ATOM 201 CA CYS A 28 -4.659 -0.035 1.873 1.00 0.00 C ATOM 202 C CYS A 28 -3.826 1.116 1.236 1.00 0.00 C ATOM 203 O CYS A 28 -2.825 1.562 1.815 1.00 0.00 O ATOM 204 CB CYS A 28 -5.400 0.415 3.127 1.00 0.00 C ATOM 205 SG CYS A 28 -6.734 1.472 2.550 1.00 0.00 S ATOM 0 H CYS A 28 -3.168 -1.049 2.991 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.451 -0.364 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.789 -0.440 3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.736 0.955 3.802 1.00 0.00 H new ATOM 206 N GLN A 29 -4.220 1.586 0.044 1.00 0.00 N ATOM 207 CA GLN A 29 -3.405 2.562 -0.720 1.00 0.00 C ATOM 208 C GLN A 29 -3.944 4.038 -0.654 1.00 0.00 C ATOM 209 O GLN A 29 -5.082 4.354 -1.013 1.00 0.00 O ATOM 210 CB GLN A 29 -3.277 1.950 -2.140 1.00 0.00 C ATOM 211 CG GLN A 29 -2.011 2.384 -2.930 1.00 0.00 C ATOM 212 CD GLN A 29 -2.296 3.301 -4.106 1.00 0.00 C ATOM 213 OE1 GLN A 29 -2.442 2.879 -5.246 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.435 4.570 -3.867 1.00 0.00 N ATOM 0 H GLN A 29 -5.089 1.314 -0.415 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.416 2.701 -0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.278 0.864 -2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.159 2.224 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.326 2.888 -2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.500 1.493 -3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.314 4.927 -2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.665 5.210 -4.627 1.00 0.00 H new ATOM 215 N HIS A 30 -3.088 4.930 -0.136 1.00 0.00 N ATOM 216 CA HIS A 30 -3.377 6.372 0.083 1.00 0.00 C ATOM 217 C HIS A 30 -3.095 7.235 -1.188 1.00 0.00 C ATOM 218 O HIS A 30 -2.006 7.146 -1.768 1.00 0.00 O ATOM 219 CB HIS A 30 -2.434 6.842 1.236 1.00 0.00 C ATOM 220 CG HIS A 30 -2.895 8.012 2.100 1.00 0.00 C ATOM 221 ND1 HIS A 30 -2.886 7.944 3.485 1.00 0.00 N ATOM 222 CD2 HIS A 30 -3.196 9.319 1.677 1.00 0.00 C ATOM 223 CE1 HIS A 30 -3.207 9.239 3.780 1.00 0.00 C ATOM 224 NE2 HIS A 30 -3.410 10.133 2.771 1.00 0.00 N ATOM 0 H HIS A 30 -2.145 4.670 0.154 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.433 6.498 0.323 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.257 5.990 1.893 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.474 7.109 0.795 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -3.252 9.639 0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.300 9.553 4.809 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -3.652 11.123 2.813 1.00 0.00 H new ATOM 225 N ASP A 31 -4.005 8.133 -1.581 1.00 0.00 N ATOM 226 CA ASP A 31 -3.755 9.085 -2.702 1.00 0.00 C ATOM 227 C ASP A 31 -2.943 10.377 -2.292 1.00 0.00 C ATOM 228 O ASP A 31 -3.397 11.502 -2.508 1.00 0.00 O ATOM 229 CB ASP A 31 -5.116 9.332 -3.408 1.00 0.00 C ATOM 230 CG ASP A 31 -6.195 10.129 -2.682 1.00 0.00 C ATOM 231 OD1 ASP A 31 -6.018 11.473 -2.796 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.120 9.607 -2.080 1.00 0.00 O ATOM 0 H ASP A 31 -4.924 8.231 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.067 8.646 -3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.910 9.840 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.538 8.358 -3.657 1.00 0.00 H new ATOM 233 N THR A 32 -1.711 10.197 -1.764 1.00 0.00 N ATOM 234 CA THR A 32 -0.747 11.292 -1.393 1.00 0.00 C ATOM 235 C THR A 32 -1.319 12.486 -0.532 1.00 0.00 C ATOM 236 O THR A 32 -1.723 13.520 -1.070 1.00 0.00 O ATOM 237 CB THR A 32 0.085 11.747 -2.646 1.00 0.00 C ATOM 238 OG1 THR A 32 0.945 12.823 -2.289 1.00 0.00 O ATOM 239 CG2 THR A 32 -0.701 12.246 -3.869 1.00 0.00 C ATOM 0 H THR A 32 -1.337 9.267 -1.574 1.00 0.00 H new ATOM 0 HA THR A 32 -0.066 10.834 -0.675 1.00 0.00 H new ATOM 0 HB THR A 32 0.592 10.828 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.962 13.483 -3.014 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.005 12.527 -4.659 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.357 11.453 -4.228 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.300 13.112 -3.588 1.00 0.00 H new ATOM 240 N ILE A 33 -1.292 12.360 0.814 1.00 0.00 N ATOM 241 CA ILE A 33 -1.816 13.379 1.800 1.00 0.00 C ATOM 242 C ILE A 33 -3.389 13.387 1.833 1.00 0.00 C ATOM 243 O ILE A 33 -3.955 13.172 2.909 1.00 0.00 O ATOM 244 CB ILE A 33 -1.152 14.812 1.720 1.00 0.00 C ATOM 245 CG1 ILE A 33 0.373 14.835 2.054 1.00 0.00 C ATOM 246 CG2 ILE A 33 -1.802 15.822 2.708 1.00 0.00 C ATOM 247 CD1 ILE A 33 1.308 14.413 0.914 1.00 0.00 C ATOM 0 H ILE A 33 -0.901 11.537 1.272 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.481 13.038 2.780 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.313 15.092 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.643 15.844 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.550 14.179 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.311 16.790 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.861 15.929 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.690 15.456 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.342 14.465 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.076 13.391 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.171 15.082 0.064 1.00 0.00 H new ATOM 248 N LEU A 34 -4.103 13.619 0.712 1.00 0.00 N ATOM 249 CA LEU A 34 -5.594 13.508 0.649 1.00 0.00 C ATOM 250 C LEU A 34 -6.024 12.035 0.961 1.00 0.00 C ATOM 251 O LEU A 34 -5.700 11.087 0.239 1.00 0.00 O ATOM 252 CB LEU A 34 -6.072 13.996 -0.745 1.00 0.00 C ATOM 253 CG LEU A 34 -6.134 15.536 -0.902 1.00 0.00 C ATOM 254 CD1 LEU A 34 -6.089 15.930 -2.387 1.00 0.00 C ATOM 255 CD2 LEU A 34 -7.398 16.136 -0.260 1.00 0.00 C ATOM 0 H LEU A 34 -3.676 13.887 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.068 14.140 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.403 13.593 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.062 13.584 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.264 15.939 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.134 17.015 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.163 15.567 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.939 15.488 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.397 17.218 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.283 15.712 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.410 15.904 0.805 1.00 0.00 H new ATOM 256 N SER A 35 -6.722 11.862 2.088 1.00 0.00 N ATOM 257 CA SER A 35 -7.038 10.512 2.626 1.00 0.00 C ATOM 258 C SER A 35 -8.298 9.736 2.118 1.00 0.00 C ATOM 259 O SER A 35 -9.061 9.189 2.922 1.00 0.00 O ATOM 260 CB SER A 35 -7.007 10.686 4.170 1.00 0.00 C ATOM 261 OG SER A 35 -8.163 11.375 4.656 1.00 0.00 O ATOM 0 H SER A 35 -7.083 12.631 2.653 1.00 0.00 H new ATOM 0 HA SER A 35 -6.290 9.828 2.225 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.943 9.706 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.111 11.237 4.455 1.00 0.00 H new ATOM 0 HG SER A 35 -8.106 11.462 5.630 1.00 0.00 H new ATOM 262 N LEU A 36 -8.497 9.612 0.793 1.00 0.00 N ATOM 263 CA LEU A 36 -9.546 8.707 0.223 1.00 0.00 C ATOM 264 C LEU A 36 -8.737 7.380 -0.003 1.00 0.00 C ATOM 265 O LEU A 36 -8.176 7.111 -1.070 1.00 0.00 O ATOM 266 CB LEU A 36 -10.219 9.368 -1.012 1.00 0.00 C ATOM 267 CG LEU A 36 -11.507 8.686 -1.550 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.294 9.668 -2.434 1.00 0.00 C ATOM 269 CD2 LEU A 36 -11.213 7.426 -2.384 1.00 0.00 C ATOM 0 H LEU A 36 -7.956 10.117 0.091 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.417 8.501 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.461 10.400 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.489 9.403 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.085 8.391 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.195 9.181 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.571 10.544 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.674 9.977 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.151 6.993 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.596 7.693 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.684 6.698 -1.769 1.00 0.00 H new ATOM 270 N SER A 37 -8.656 6.560 1.059 1.00 0.00 N ATOM 271 CA SER A 37 -7.766 5.374 1.082 1.00 0.00 C ATOM 272 C SER A 37 -8.490 4.069 0.665 1.00 0.00 C ATOM 273 O SER A 37 -9.346 3.531 1.373 1.00 0.00 O ATOM 274 CB SER A 37 -7.184 5.288 2.507 1.00 0.00 C ATOM 275 OG SER A 37 -6.466 6.475 2.859 1.00 0.00 O ATOM 0 H SER A 37 -9.194 6.692 1.915 1.00 0.00 H new ATOM 0 HA SER A 37 -6.971 5.487 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.992 5.126 3.221 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.520 4.427 2.577 1.00 0.00 H new ATOM 0 HG SER A 37 -6.390 6.534 3.834 1.00 0.00 H new ATOM 276 N ARG A 38 -8.121 3.585 -0.521 1.00 0.00 N ATOM 277 CA ARG A 38 -8.751 2.406 -1.162 1.00 0.00 C ATOM 278 C ARG A 38 -7.652 1.342 -1.477 1.00 0.00 C ATOM 279 O ARG A 38 -6.571 1.687 -1.966 1.00 0.00 O ATOM 280 CB ARG A 38 -9.483 2.942 -2.429 1.00 0.00 C ATOM 281 CG ARG A 38 -10.669 2.062 -2.863 1.00 0.00 C ATOM 282 CD ARG A 38 -11.474 2.629 -4.043 1.00 0.00 C ATOM 283 NE ARG A 38 -12.715 1.824 -4.209 1.00 0.00 N ATOM 284 CZ ARG A 38 -13.902 2.109 -3.683 1.00 0.00 C ATOM 285 NH1 ARG A 38 -14.188 3.223 -3.063 1.00 0.00 N ATOM 286 NH2 ARG A 38 -14.835 1.216 -3.793 1.00 0.00 N ATOM 0 H ARG A 38 -7.371 3.996 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.475 1.903 -0.522 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.842 3.953 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.770 3.010 -3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.295 1.075 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.338 1.927 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.724 3.674 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.879 2.597 -4.956 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.649 0.979 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.476 3.945 -2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.124 3.370 -2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.644 0.335 -4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.761 1.395 -3.403 1.00 0.00 H new ATOM 287 N CYS A 39 -7.879 0.046 -1.198 1.00 0.00 N ATOM 288 CA CYS A 39 -6.858 -1.001 -1.475 1.00 0.00 C ATOM 289 C CYS A 39 -6.552 -1.208 -2.993 1.00 0.00 C ATOM 290 O CYS A 39 -7.396 -1.097 -3.883 1.00 0.00 O ATOM 291 CB CYS A 39 -7.295 -2.311 -0.798 1.00 0.00 C ATOM 292 SG CYS A 39 -7.309 -2.156 0.990 1.00 0.00 S ATOM 0 H CYS A 39 -8.744 -0.306 -0.787 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.913 -0.658 -1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.289 -2.588 -1.148 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.619 -3.115 -1.089 1.00 0.00 H new ATOM 293 N ALA A 40 -5.282 -1.509 -3.242 1.00 0.00 N ATOM 294 CA ALA A 40 -4.705 -1.633 -4.599 1.00 0.00 C ATOM 295 C ALA A 40 -3.735 -2.854 -4.739 1.00 0.00 C ATOM 296 O ALA A 40 -3.612 -3.706 -3.852 1.00 0.00 O ATOM 297 CB ALA A 40 -4.040 -0.256 -4.791 1.00 0.00 C ATOM 0 H ALA A 40 -4.602 -1.679 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.437 -1.851 -5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.568 -0.214 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.796 0.526 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.286 -0.105 -4.019 1.00 0.00 H new ATOM 298 N LEU A 41 -3.062 -2.953 -5.891 1.00 0.00 N ATOM 299 CA LEU A 41 -2.032 -3.998 -6.135 1.00 0.00 C ATOM 300 C LEU A 41 -0.631 -3.655 -5.511 1.00 0.00 C ATOM 301 O LEU A 41 -0.243 -2.496 -5.331 1.00 0.00 O ATOM 302 CB LEU A 41 -1.991 -4.280 -7.671 1.00 0.00 C ATOM 303 CG LEU A 41 -1.531 -3.174 -8.670 1.00 0.00 C ATOM 304 CD1 LEU A 41 0.000 -3.047 -8.774 1.00 0.00 C ATOM 305 CD2 LEU A 41 -2.076 -3.473 -10.077 1.00 0.00 C ATOM 0 H LEU A 41 -3.206 -2.323 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.311 -4.913 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.339 -5.140 -7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.995 -4.584 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.925 -2.236 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.252 -2.260 -9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.412 -2.798 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.421 -3.993 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.749 -2.695 -10.767 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.700 -4.439 -10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.165 -3.498 -10.048 1.00 0.00 H new ATOM 306 N LYS A 42 0.120 -4.707 -5.167 1.00 0.00 N ATOM 307 CA LYS A 42 1.529 -4.595 -4.688 1.00 0.00 C ATOM 308 C LYS A 42 2.516 -4.432 -5.904 1.00 0.00 C ATOM 309 O LYS A 42 2.334 -5.050 -6.960 1.00 0.00 O ATOM 310 CB LYS A 42 1.798 -5.796 -3.742 1.00 0.00 C ATOM 311 CG LYS A 42 1.693 -7.234 -4.311 1.00 0.00 C ATOM 312 CD LYS A 42 1.797 -8.291 -3.194 1.00 0.00 C ATOM 313 CE LYS A 42 1.744 -9.724 -3.741 1.00 0.00 C ATOM 314 NZ LYS A 42 1.957 -10.671 -2.631 1.00 0.00 N ATOM 0 H LYS A 42 -0.220 -5.668 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 42 1.703 -3.693 -4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.801 -5.676 -3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.102 -5.720 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.745 -7.350 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.485 -7.396 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.729 -8.148 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.984 -8.146 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.780 -9.910 -4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.508 -9.863 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.922 -11.645 -2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.886 -10.496 -2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.213 -10.541 -1.916 1.00 0.00 H new ATOM 315 N ALA A 43 3.581 -3.623 -5.758 1.00 0.00 N ATOM 316 CA ALA A 43 4.465 -3.273 -6.902 1.00 0.00 C ATOM 317 C ALA A 43 5.471 -4.360 -7.418 1.00 0.00 C ATOM 318 O ALA A 43 5.955 -5.244 -6.707 1.00 0.00 O ATOM 319 CB ALA A 43 5.220 -2.007 -6.456 1.00 0.00 C ATOM 0 H ALA A 43 3.855 -3.199 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 43 3.823 -3.146 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.894 -1.687 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.505 -1.212 -6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.796 -2.225 -5.557 1.00 0.00 H new ATOM 320 N ARG A 44 5.779 -4.219 -8.710 1.00 0.00 N ATOM 321 CA ARG A 44 6.683 -5.124 -9.472 1.00 0.00 C ATOM 322 C ARG A 44 8.103 -4.512 -9.691 1.00 0.00 C ATOM 323 O ARG A 44 8.353 -3.333 -9.437 1.00 0.00 O ATOM 324 CB ARG A 44 5.960 -5.435 -10.820 1.00 0.00 C ATOM 325 CG ARG A 44 5.027 -6.666 -10.751 1.00 0.00 C ATOM 326 CD ARG A 44 4.101 -6.844 -11.968 1.00 0.00 C ATOM 327 NE ARG A 44 4.871 -7.200 -13.189 1.00 0.00 N ATOM 328 CZ ARG A 44 4.361 -7.290 -14.411 1.00 0.00 C ATOM 329 NH1 ARG A 44 3.095 -7.127 -14.694 1.00 0.00 N ATOM 330 NH2 ARG A 44 5.171 -7.556 -15.388 1.00 0.00 N ATOM 0 H ARG A 44 5.405 -3.460 -9.280 1.00 0.00 H new ATOM 0 HA ARG A 44 6.867 -6.039 -8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.377 -4.564 -11.120 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.709 -5.600 -11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.638 -7.562 -10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.413 -6.589 -9.853 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.368 -7.623 -11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.546 -5.922 -12.142 1.00 0.00 H new ATOM 0 HE ARG A 44 5.867 -7.390 -13.079 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.429 -6.916 -13.951 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.773 -7.211 -15.658 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.165 -7.689 -15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.814 -7.633 -16.340 1.00 0.00 H new ATOM 331 N GLU A 45 9.039 -5.337 -10.188 1.00 0.00 N ATOM 332 CA GLU A 45 10.477 -4.967 -10.359 1.00 0.00 C ATOM 333 C GLU A 45 10.733 -3.611 -11.105 1.00 0.00 C ATOM 334 O GLU A 45 10.179 -3.344 -12.174 1.00 0.00 O ATOM 335 CB GLU A 45 11.228 -6.132 -11.063 1.00 0.00 C ATOM 336 CG GLU A 45 12.738 -6.167 -10.692 1.00 0.00 C ATOM 337 CD GLU A 45 13.535 -7.297 -11.327 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.835 -7.052 -12.630 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.884 -8.307 -10.725 1.00 0.00 O ATOM 0 H GLU A 45 8.830 -6.289 -10.488 1.00 0.00 H new ATOM 0 HA GLU A 45 10.867 -4.803 -9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.766 -7.080 -10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.123 -6.029 -12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.189 -5.218 -10.982 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.828 -6.245 -9.608 1.00 0.00 H new ATOM 340 N ASN A 46 11.577 -2.765 -10.496 1.00 0.00 N ATOM 341 CA ASN A 46 11.852 -1.359 -10.960 1.00 0.00 C ATOM 342 C ASN A 46 10.633 -0.371 -10.773 1.00 0.00 C ATOM 343 O ASN A 46 10.496 0.610 -11.509 1.00 0.00 O ATOM 344 CB ASN A 46 12.477 -1.319 -12.391 1.00 0.00 C ATOM 345 CG ASN A 46 13.843 -1.991 -12.519 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.865 -1.470 -12.092 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.912 -3.162 -13.095 1.00 0.00 N ATOM 0 H ASN A 46 12.102 -3.021 -9.659 1.00 0.00 H new ATOM 0 HA ASN A 46 12.615 -0.970 -10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.787 -1.798 -13.086 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.571 -0.278 -12.701 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.812 -3.634 -13.186 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.066 -3.604 -13.454 1.00 0.00 H new ATOM 348 N SER A 47 9.797 -0.576 -9.734 1.00 0.00 N ATOM 349 CA SER A 47 8.676 0.336 -9.377 1.00 0.00 C ATOM 350 C SER A 47 8.709 0.712 -7.857 1.00 0.00 C ATOM 351 O SER A 47 9.206 -0.024 -6.996 1.00 0.00 O ATOM 352 CB SER A 47 7.327 -0.328 -9.753 1.00 0.00 C ATOM 353 OG SER A 47 7.264 -0.668 -11.138 1.00 0.00 O ATOM 0 H SER A 47 9.876 -1.381 -9.113 1.00 0.00 H new ATOM 0 HA SER A 47 8.787 1.262 -9.941 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.186 -1.227 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.509 0.350 -9.509 1.00 0.00 H new ATOM 0 HG SER A 47 6.399 -1.085 -11.333 1.00 0.00 H new ATOM 354 N GLU A 48 8.144 1.884 -7.540 1.00 0.00 N ATOM 355 CA GLU A 48 8.130 2.463 -6.178 1.00 0.00 C ATOM 356 C GLU A 48 7.116 1.758 -5.207 1.00 0.00 C ATOM 357 O GLU A 48 5.892 1.796 -5.357 1.00 0.00 O ATOM 358 CB GLU A 48 7.769 3.971 -6.302 1.00 0.00 C ATOM 359 CG GLU A 48 8.865 4.896 -6.891 1.00 0.00 C ATOM 360 CD GLU A 48 8.417 6.346 -7.049 1.00 0.00 C ATOM 361 OE1 GLU A 48 7.542 6.507 -8.078 1.00 0.00 O ATOM 362 OE2 GLU A 48 8.803 7.266 -6.335 1.00 0.00 O ATOM 0 H GLU A 48 7.674 2.471 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 48 9.119 2.316 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.878 4.059 -6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.505 4.342 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.742 4.863 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.171 4.510 -7.864 1.00 0.00 H new ATOM 363 N CYS A 49 7.698 1.134 -4.195 1.00 0.00 N ATOM 364 CA CYS A 49 6.995 0.480 -3.061 1.00 0.00 C ATOM 365 C CYS A 49 7.214 1.239 -1.713 1.00 0.00 C ATOM 366 O CYS A 49 8.252 1.868 -1.487 1.00 0.00 O ATOM 367 CB CYS A 49 7.560 -0.955 -3.002 1.00 0.00 C ATOM 368 SG CYS A 49 9.364 -0.949 -2.929 1.00 0.00 S ATOM 0 H CYS A 49 8.712 1.056 -4.122 1.00 0.00 H new ATOM 0 HA CYS A 49 5.916 0.484 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.161 -1.469 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.231 -1.514 -3.878 1.00 0.00 H new ATOM 369 N SER A 50 6.263 1.137 -0.770 1.00 0.00 N ATOM 370 CA SER A 50 6.418 1.714 0.600 1.00 0.00 C ATOM 371 C SER A 50 7.348 0.759 1.410 1.00 0.00 C ATOM 372 O SER A 50 6.963 -0.358 1.765 1.00 0.00 O ATOM 373 CB SER A 50 5.031 1.886 1.264 1.00 0.00 C ATOM 374 OG SER A 50 4.188 2.757 0.508 1.00 0.00 O ATOM 0 H SER A 50 5.373 0.662 -0.920 1.00 0.00 H new ATOM 0 HA SER A 50 6.869 2.706 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.552 0.912 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.156 2.284 2.271 1.00 0.00 H new ATOM 0 HG SER A 50 4.169 2.464 -0.427 1.00 0.00 H new ATOM 375 N ALA A 51 8.586 1.203 1.674 1.00 0.00 N ATOM 376 CA ALA A 51 9.618 0.332 2.292 1.00 0.00 C ATOM 377 C ALA A 51 9.451 0.049 3.821 1.00 0.00 C ATOM 378 O ALA A 51 9.430 -1.115 4.228 1.00 0.00 O ATOM 379 CB ALA A 51 10.955 1.018 1.945 1.00 0.00 C ATOM 0 H ALA A 51 8.903 2.152 1.474 1.00 0.00 H new ATOM 0 HA ALA A 51 9.540 -0.679 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.779 0.441 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.065 1.074 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.967 2.024 2.364 1.00 0.00 H new ATOM 380 N PHE A 52 9.348 1.090 4.658 1.00 0.00 N ATOM 381 CA PHE A 52 9.050 0.941 6.106 1.00 0.00 C ATOM 382 C PHE A 52 7.507 1.061 6.337 1.00 0.00 C ATOM 383 O PHE A 52 6.841 1.938 5.770 1.00 0.00 O ATOM 384 CB PHE A 52 9.866 1.990 6.919 1.00 0.00 C ATOM 385 CG PHE A 52 9.523 3.479 6.712 1.00 0.00 C ATOM 386 CD1 PHE A 52 8.498 4.086 7.448 1.00 0.00 C ATOM 387 CD2 PHE A 52 10.182 4.208 5.722 1.00 0.00 C ATOM 388 CE1 PHE A 52 8.146 5.410 7.197 1.00 0.00 C ATOM 389 CE2 PHE A 52 9.842 5.535 5.482 1.00 0.00 C ATOM 390 CZ PHE A 52 8.824 6.138 6.221 1.00 0.00 C ATOM 0 H PHE A 52 9.467 2.059 4.361 1.00 0.00 H new ATOM 0 HA PHE A 52 9.353 -0.044 6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.745 1.762 7.978 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.921 1.852 6.681 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.979 3.526 8.212 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.961 3.739 5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.348 5.872 7.759 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.366 6.098 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.561 7.169 6.037 1.00 0.00 H new ATOM 391 N THR A 53 6.944 0.212 7.201 1.00 0.00 N ATOM 392 CA THR A 53 5.489 0.267 7.525 1.00 0.00 C ATOM 393 C THR A 53 5.237 0.760 8.975 1.00 0.00 C ATOM 394 O THR A 53 5.913 0.400 9.943 1.00 0.00 O ATOM 395 CB THR A 53 4.772 -1.097 7.319 1.00 0.00 C ATOM 396 OG1 THR A 53 5.413 -2.149 8.035 1.00 0.00 O ATOM 397 CG2 THR A 53 4.725 -1.483 5.838 1.00 0.00 C ATOM 0 H THR A 53 7.456 -0.521 7.692 1.00 0.00 H new ATOM 0 HA THR A 53 5.066 0.985 6.822 1.00 0.00 H new ATOM 0 HB THR A 53 3.759 -0.967 7.701 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.932 -2.989 7.882 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.218 -2.441 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.183 -0.719 5.280 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.741 -1.564 5.451 1.00 0.00 H new ATOM 398 N LEU A 54 4.170 1.547 9.083 1.00 0.00 N ATOM 399 CA LEU A 54 3.640 2.047 10.373 1.00 0.00 C ATOM 400 C LEU A 54 2.450 1.130 10.823 1.00 0.00 C ATOM 401 O LEU A 54 2.460 -0.095 10.664 1.00 0.00 O ATOM 402 CB LEU A 54 3.350 3.573 10.110 1.00 0.00 C ATOM 403 CG LEU A 54 2.119 3.936 9.207 1.00 0.00 C ATOM 404 CD1 LEU A 54 1.161 4.925 9.895 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.525 4.485 7.834 1.00 0.00 C ATOM 0 H LEU A 54 3.635 1.866 8.275 1.00 0.00 H new ATOM 0 HA LEU A 54 4.309 1.994 11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.213 4.060 11.076 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.239 4.010 9.656 1.00 0.00 H new ATOM 0 HG LEU A 54 1.596 2.993 9.051 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.326 5.145 9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.784 4.484 10.818 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.694 5.848 10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.631 4.717 7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.118 5.390 7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.116 3.738 7.304 1.00 0.00 H new ATOM 406 N TYR A 55 1.443 1.739 11.440 1.00 0.00 N ATOM 407 CA TYR A 55 0.172 1.069 11.766 1.00 0.00 C ATOM 408 C TYR A 55 -0.907 1.932 11.018 1.00 0.00 C ATOM 409 O TYR A 55 -1.599 2.772 11.601 1.00 0.00 O ATOM 410 CB TYR A 55 0.057 0.921 13.311 1.00 0.00 C ATOM 411 CG TYR A 55 -1.321 0.393 13.718 1.00 0.00 C ATOM 412 CD1 TYR A 55 -1.713 -0.890 13.326 1.00 0.00 C ATOM 413 CD2 TYR A 55 -2.282 1.311 14.147 1.00 0.00 C ATOM 414 CE1 TYR A 55 -3.064 -1.221 13.286 1.00 0.00 C ATOM 415 CE2 TYR A 55 -3.632 0.978 14.106 1.00 0.00 C ATOM 416 CZ TYR A 55 -4.024 -0.288 13.677 1.00 0.00 C ATOM 417 OH TYR A 55 -5.353 -0.589 13.566 1.00 0.00 O ATOM 0 H TYR A 55 1.478 2.715 11.733 1.00 0.00 H new ATOM 0 HA TYR A 55 0.056 0.038 11.431 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.830 0.243 13.672 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.233 1.886 13.785 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.968 -1.624 13.054 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.977 2.281 14.511 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.369 -2.202 12.952 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.376 1.701 14.407 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.888 0.169 13.882 1.00 0.00 H new ATOM 418 N GLY A 56 -0.988 1.772 9.688 1.00 0.00 N ATOM 419 CA GLY A 56 -1.889 2.625 8.872 1.00 0.00 C ATOM 420 C GLY A 56 -1.801 2.446 7.351 1.00 0.00 C ATOM 421 O GLY A 56 -1.319 1.446 6.823 1.00 0.00 O ATOM 0 H GLY A 56 -0.458 1.080 9.158 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.916 2.431 9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.678 3.668 9.107 1.00 0.00 H new ATOM 422 N VAL A 57 -2.321 3.442 6.642 1.00 0.00 N ATOM 423 CA VAL A 57 -2.416 3.428 5.150 1.00 0.00 C ATOM 424 C VAL A 57 -1.043 3.790 4.488 1.00 0.00 C ATOM 425 O VAL A 57 -0.249 4.596 4.988 1.00 0.00 O ATOM 426 CB VAL A 57 -3.572 4.375 4.697 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.910 4.270 3.200 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.909 4.090 5.401 1.00 0.00 C ATOM 0 H VAL A 57 -2.694 4.291 7.066 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.654 2.420 4.810 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.174 5.357 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.722 4.957 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.031 4.528 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.217 3.251 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.667 4.785 5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.222 3.068 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.788 4.215 6.477 1.00 0.00 H new ATOM 429 N TYR A 58 -0.779 3.161 3.341 1.00 0.00 N ATOM 430 CA TYR A 58 0.514 3.261 2.626 1.00 0.00 C ATOM 431 C TYR A 58 0.336 3.949 1.250 1.00 0.00 C ATOM 432 O TYR A 58 -0.601 3.660 0.511 1.00 0.00 O ATOM 433 CB TYR A 58 1.048 1.808 2.473 1.00 0.00 C ATOM 434 CG TYR A 58 1.212 0.967 3.760 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.735 1.529 4.932 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.684 -0.326 3.795 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.744 0.796 6.115 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.733 -1.071 4.973 1.00 0.00 C ATOM 439 CZ TYR A 58 1.250 -0.503 6.134 1.00 0.00 C ATOM 440 OH TYR A 58 1.218 -1.191 7.316 1.00 0.00 O ATOM 0 H TYR A 58 -1.456 2.561 2.871 1.00 0.00 H new ATOM 0 HA TYR A 58 1.224 3.875 3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.375 1.271 1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.018 1.857 1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.132 2.533 4.917 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.237 -0.750 2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.135 1.237 7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.370 -2.088 4.984 1.00 0.00 H new ATOM 0 HH TYR A 58 0.845 -2.084 7.165 1.00 0.00 H new ATOM 441 N TYR A 59 1.250 4.832 0.853 1.00 0.00 N ATOM 442 CA TYR A 59 1.106 5.604 -0.428 1.00 0.00 C ATOM 443 C TYR A 59 1.172 4.736 -1.755 1.00 0.00 C ATOM 444 O TYR A 59 0.517 5.074 -2.739 1.00 0.00 O ATOM 445 CB TYR A 59 2.120 6.781 -0.344 1.00 0.00 C ATOM 446 CG TYR A 59 1.793 8.024 0.529 1.00 0.00 C ATOM 447 CD1 TYR A 59 1.036 7.974 1.710 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.333 9.255 0.132 1.00 0.00 C ATOM 449 CE1 TYR A 59 0.795 9.127 2.452 1.00 0.00 C ATOM 450 CE2 TYR A 59 2.102 10.405 0.884 1.00 0.00 C ATOM 451 CZ TYR A 59 1.328 10.341 2.038 1.00 0.00 C ATOM 452 OH TYR A 59 1.072 11.468 2.770 1.00 0.00 O ATOM 0 H TYR A 59 2.098 5.046 1.378 1.00 0.00 H new ATOM 0 HA TYR A 59 0.092 5.995 -0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.064 6.371 0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.292 7.134 -1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.636 7.029 2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.933 9.313 -0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.194 9.078 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.525 11.348 0.570 1.00 0.00 H new ATOM 0 HH TYR A 59 1.892 11.759 3.220 1.00 0.00 H new ATOM 453 N LYS A 60 1.924 3.626 -1.758 1.00 0.00 N ATOM 454 CA LYS A 60 1.992 2.610 -2.848 1.00 0.00 C ATOM 455 C LYS A 60 2.411 1.307 -2.086 1.00 0.00 C ATOM 456 O LYS A 60 3.509 1.259 -1.529 1.00 0.00 O ATOM 457 CB LYS A 60 2.976 2.986 -3.996 1.00 0.00 C ATOM 458 CG LYS A 60 2.310 3.729 -5.179 1.00 0.00 C ATOM 459 CD LYS A 60 3.269 4.097 -6.336 1.00 0.00 C ATOM 460 CE LYS A 60 4.177 5.320 -6.111 1.00 0.00 C ATOM 461 NZ LYS A 60 3.394 6.571 -6.042 1.00 0.00 N ATOM 0 H LYS A 60 2.532 3.391 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 60 1.046 2.510 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.771 3.611 -3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.446 2.076 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.507 3.107 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.849 4.643 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.903 3.234 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.672 4.275 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.740 5.191 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.904 5.389 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.690 7.209 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.382 6.353 -6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.557 7.033 -5.125 1.00 0.00 H new ATOM 462 N CYS A 61 1.545 0.280 -2.008 1.00 0.00 N ATOM 463 CA CYS A 61 1.776 -0.958 -1.192 1.00 0.00 C ATOM 464 C CYS A 61 3.232 -1.616 -1.136 1.00 0.00 C ATOM 465 O CYS A 61 3.963 -1.513 -2.129 1.00 0.00 O ATOM 466 CB CYS A 61 0.735 -1.976 -1.702 1.00 0.00 C ATOM 467 SG CYS A 61 -0.934 -1.549 -1.172 1.00 0.00 S ATOM 0 H CYS A 61 0.656 0.272 -2.507 1.00 0.00 H new ATOM 0 HA CYS A 61 1.674 -0.652 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.771 -2.018 -2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.989 -2.971 -1.336 1.00 0.00 H new ATOM 468 N PRO A 62 3.681 -2.315 -0.036 1.00 0.00 N ATOM 469 CA PRO A 62 5.091 -2.831 0.103 1.00 0.00 C ATOM 470 C PRO A 62 5.635 -4.010 -0.796 1.00 0.00 C ATOM 471 O PRO A 62 6.146 -5.015 -0.296 1.00 0.00 O ATOM 472 CB PRO A 62 5.146 -3.184 1.612 1.00 0.00 C ATOM 473 CG PRO A 62 4.023 -2.409 2.284 1.00 0.00 C ATOM 474 CD PRO A 62 2.924 -2.435 1.233 1.00 0.00 C ATOM 0 HA PRO A 62 5.766 -2.063 -0.276 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.021 -4.256 1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.112 -2.913 2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.705 -2.881 3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.324 -1.391 2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.347 -3.359 1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.220 -1.613 1.363 1.00 0.00 H new ATOM 475 N CYS A 63 5.612 -3.839 -2.128 1.00 0.00 N ATOM 476 CA CYS A 63 6.195 -4.786 -3.134 1.00 0.00 C ATOM 477 C CYS A 63 5.610 -6.255 -3.191 1.00 0.00 C ATOM 478 O CYS A 63 4.918 -6.738 -2.291 1.00 0.00 O ATOM 479 CB CYS A 63 7.745 -4.764 -2.997 1.00 0.00 C ATOM 480 SG CYS A 63 8.436 -5.233 -4.588 1.00 0.00 S ATOM 0 H CYS A 63 5.180 -3.023 -2.561 1.00 0.00 H new ATOM 0 HA CYS A 63 5.876 -4.406 -4.105 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.090 -3.772 -2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.071 -5.455 -2.219 1.00 0.00 H new ATOM 481 N GLU A 64 5.875 -6.964 -4.304 1.00 0.00 N ATOM 482 CA GLU A 64 5.427 -8.366 -4.520 1.00 0.00 C ATOM 483 C GLU A 64 6.233 -9.464 -3.731 1.00 0.00 C ATOM 484 O GLU A 64 7.381 -9.266 -3.323 1.00 0.00 O ATOM 485 CB GLU A 64 5.428 -8.591 -6.063 1.00 0.00 C ATOM 486 CG GLU A 64 6.814 -8.717 -6.761 1.00 0.00 C ATOM 487 CD GLU A 64 6.809 -9.088 -8.242 1.00 0.00 C ATOM 488 OE1 GLU A 64 6.048 -10.184 -8.508 1.00 0.00 O ATOM 489 OE2 GLU A 64 7.454 -8.489 -9.097 1.00 0.00 O ATOM 0 H GLU A 64 6.408 -6.585 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 64 4.429 -8.489 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.860 -9.497 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.890 -7.763 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.337 -7.767 -6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.397 -9.466 -6.225 1.00 0.00 H new ATOM 490 N ARG A 65 5.636 -10.662 -3.567 1.00 0.00 N ATOM 491 CA ARG A 65 6.260 -11.796 -2.828 1.00 0.00 C ATOM 492 C ARG A 65 7.582 -12.317 -3.501 1.00 0.00 C ATOM 493 O ARG A 65 7.613 -12.750 -4.656 1.00 0.00 O ATOM 494 CB ARG A 65 5.184 -12.903 -2.689 1.00 0.00 C ATOM 495 CG ARG A 65 5.541 -13.995 -1.653 1.00 0.00 C ATOM 496 CD ARG A 65 4.380 -14.974 -1.442 1.00 0.00 C ATOM 497 NE ARG A 65 4.729 -15.949 -0.378 1.00 0.00 N ATOM 498 CZ ARG A 65 3.878 -16.802 0.182 1.00 0.00 C ATOM 499 NH1 ARG A 65 2.619 -16.916 -0.156 1.00 0.00 N ATOM 500 NH2 ARG A 65 4.323 -17.570 1.126 1.00 0.00 N ATOM 0 H ARG A 65 4.711 -10.878 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 65 6.581 -11.460 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.237 -12.443 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.032 -13.373 -3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.422 -14.542 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.799 -13.526 -0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.478 -14.428 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.162 -15.499 -2.372 1.00 0.00 H new ATOM 0 HE ARG A 65 5.695 -15.965 -0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.234 -16.327 -0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.023 -17.594 0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.299 -17.508 1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.698 -18.237 1.578 1.00 0.00 H new ATOM 501 N GLY A 66 8.669 -12.244 -2.727 1.00 0.00 N ATOM 502 CA GLY A 66 10.049 -12.549 -3.224 1.00 0.00 C ATOM 503 C GLY A 66 10.982 -11.335 -3.495 1.00 0.00 C ATOM 504 O GLY A 66 12.204 -11.471 -3.400 1.00 0.00 O ATOM 0 H GLY A 66 8.637 -11.976 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.537 -13.196 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.959 -13.121 -4.148 1.00 0.00 H new ATOM 505 N LEU A 67 10.419 -10.167 -3.838 1.00 0.00 N ATOM 506 CA LEU A 67 11.188 -8.933 -4.143 1.00 0.00 C ATOM 507 C LEU A 67 11.246 -7.962 -2.917 1.00 0.00 C ATOM 508 O LEU A 67 10.293 -7.810 -2.148 1.00 0.00 O ATOM 509 CB LEU A 67 10.537 -8.236 -5.377 1.00 0.00 C ATOM 510 CG LEU A 67 11.009 -8.744 -6.761 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.465 -10.128 -7.152 1.00 0.00 C ATOM 512 CD2 LEU A 67 10.649 -7.742 -7.859 1.00 0.00 C ATOM 0 H LEU A 67 9.410 -10.043 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 67 12.219 -9.205 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.456 -8.361 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.738 -7.166 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 67 12.090 -8.845 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.846 -10.404 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.787 -10.866 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.376 -10.096 -7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.990 -8.120 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.568 -7.604 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.132 -6.787 -7.652 1.00 0.00 H new ATOM 513 N THR A 68 12.386 -7.271 -2.772 1.00 0.00 N ATOM 514 CA THR A 68 12.628 -6.323 -1.648 1.00 0.00 C ATOM 515 C THR A 68 12.380 -4.835 -2.057 1.00 0.00 C ATOM 516 O THR A 68 12.579 -4.429 -3.205 1.00 0.00 O ATOM 517 CB THR A 68 14.078 -6.555 -1.108 1.00 0.00 C ATOM 518 OG1 THR A 68 14.086 -6.314 0.293 1.00 0.00 O ATOM 519 CG2 THR A 68 15.179 -5.650 -1.681 1.00 0.00 C ATOM 0 H THR A 68 13.169 -7.345 -3.421 1.00 0.00 H new ATOM 0 HA THR A 68 11.910 -6.522 -0.853 1.00 0.00 H new ATOM 0 HB THR A 68 14.308 -7.577 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.989 -6.458 0.645 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.136 -5.910 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.239 -5.789 -2.760 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.944 -4.608 -1.462 1.00 0.00 H new ATOM 520 N CYS A 69 12.038 -4.023 -1.061 1.00 0.00 N ATOM 521 CA CYS A 69 11.875 -2.557 -1.240 1.00 0.00 C ATOM 522 C CYS A 69 13.200 -1.779 -0.919 1.00 0.00 C ATOM 523 O CYS A 69 13.480 -1.464 0.242 1.00 0.00 O ATOM 524 CB CYS A 69 10.645 -2.156 -0.403 1.00 0.00 C ATOM 525 SG CYS A 69 10.019 -0.610 -1.067 1.00 0.00 S ATOM 0 H CYS A 69 11.864 -4.345 -0.109 1.00 0.00 H new ATOM 0 HA CYS A 69 11.689 -2.281 -2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.880 -2.931 -0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.917 -2.040 0.646 1.00 0.00 H new ATOM 526 N GLU A 70 14.015 -1.442 -1.930 1.00 0.00 N ATOM 527 CA GLU A 70 15.355 -0.820 -1.716 1.00 0.00 C ATOM 528 C GLU A 70 15.349 0.743 -1.866 1.00 0.00 C ATOM 529 O GLU A 70 15.301 1.263 -2.985 1.00 0.00 O ATOM 530 CB GLU A 70 16.298 -1.534 -2.733 1.00 0.00 C ATOM 531 CG GLU A 70 17.810 -1.203 -2.623 1.00 0.00 C ATOM 532 CD GLU A 70 18.478 -1.632 -1.318 1.00 0.00 C ATOM 533 OE1 GLU A 70 18.465 -0.960 -0.294 1.00 0.00 O ATOM 534 OE2 GLU A 70 19.080 -2.847 -1.415 1.00 0.00 O ATOM 0 H GLU A 70 13.779 -1.586 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 70 15.697 -0.959 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.175 -2.611 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.966 -1.283 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 70 18.331 -1.680 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 70 17.939 -0.127 -2.742 1.00 0.00 H new ATOM 535 N GLY A 71 15.391 1.497 -0.750 1.00 0.00 N ATOM 536 CA GLY A 71 15.501 2.991 -0.805 1.00 0.00 C ATOM 537 C GLY A 71 14.974 3.825 0.384 1.00 0.00 C ATOM 538 O GLY A 71 15.724 4.627 0.937 1.00 0.00 O ATOM 0 H GLY A 71 15.352 1.114 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.554 3.239 -0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.978 3.327 -1.700 1.00 0.00 H new ATOM 539 N ASP A 72 13.690 3.683 0.759 1.00 0.00 N ATOM 540 CA ASP A 72 12.990 4.488 1.817 1.00 0.00 C ATOM 541 C ASP A 72 12.718 6.023 1.550 1.00 0.00 C ATOM 542 O ASP A 72 11.851 6.597 2.216 1.00 0.00 O ATOM 543 CB ASP A 72 13.662 4.263 3.195 1.00 0.00 C ATOM 544 CG ASP A 72 13.782 2.827 3.697 1.00 0.00 C ATOM 545 OD1 ASP A 72 12.914 2.263 4.353 1.00 0.00 O ATOM 546 OD2 ASP A 72 14.959 2.256 3.314 1.00 0.00 O ATOM 0 H ASP A 72 13.079 2.988 0.331 1.00 0.00 H new ATOM 0 HA ASP A 72 11.977 4.085 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.664 4.689 3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.104 4.833 3.938 1.00 0.00 H new ATOM 547 N LYS A 73 13.418 6.686 0.617 1.00 0.00 N ATOM 548 CA LYS A 73 13.167 8.102 0.223 1.00 0.00 C ATOM 549 C LYS A 73 13.375 8.264 -1.322 1.00 0.00 C ATOM 550 O LYS A 73 14.451 7.980 -1.861 1.00 0.00 O ATOM 551 CB LYS A 73 14.040 9.065 1.083 1.00 0.00 C ATOM 552 CG LYS A 73 15.585 8.955 0.976 1.00 0.00 C ATOM 553 CD LYS A 73 16.358 9.849 1.968 1.00 0.00 C ATOM 554 CE LYS A 73 16.260 11.354 1.673 1.00 0.00 C ATOM 555 NZ LYS A 73 17.081 12.101 2.647 1.00 0.00 N ATOM 0 H LYS A 73 14.187 6.258 0.102 1.00 0.00 H new ATOM 0 HA LYS A 73 12.132 8.377 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.761 10.086 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.768 8.916 2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.875 7.917 1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.886 9.215 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.983 9.663 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.408 9.557 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.603 11.560 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.221 11.680 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.015 13.120 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.734 11.913 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.073 11.797 2.571 1.00 0.00 H new ATOM 556 N SER A 74 12.344 8.726 -2.048 1.00 0.00 N ATOM 557 CA SER A 74 12.400 8.878 -3.525 1.00 0.00 C ATOM 558 C SER A 74 12.866 10.310 -3.933 1.00 0.00 C ATOM 559 O SER A 74 12.069 11.222 -4.181 1.00 0.00 O ATOM 560 CB SER A 74 11.010 8.506 -4.089 1.00 0.00 C ATOM 561 OG SER A 74 11.065 8.433 -5.515 1.00 0.00 O ATOM 0 H SER A 74 11.452 9.005 -1.639 1.00 0.00 H new ATOM 0 HA SER A 74 13.145 8.207 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.687 7.549 -3.680 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.273 9.249 -3.783 1.00 0.00 H new ATOM 0 HG SER A 74 10.352 7.844 -5.840 1.00 0.00 H new ATOM 562 N LEU A 75 14.196 10.494 -4.019 1.00 0.00 N ATOM 563 CA LEU A 75 14.808 11.775 -4.509 1.00 0.00 C ATOM 564 C LEU A 75 14.363 12.207 -5.959 1.00 0.00 C ATOM 565 O LEU A 75 14.166 13.401 -6.206 1.00 0.00 O ATOM 566 CB LEU A 75 16.351 11.658 -4.349 1.00 0.00 C ATOM 567 CG LEU A 75 17.169 12.963 -4.559 1.00 0.00 C ATOM 568 CD1 LEU A 75 16.839 14.051 -3.520 1.00 0.00 C ATOM 569 CD2 LEU A 75 18.675 12.663 -4.498 1.00 0.00 C ATOM 0 H LEU A 75 14.879 9.782 -3.760 1.00 0.00 H new ATOM 0 HA LEU A 75 14.430 12.593 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 75 16.563 11.279 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 75 16.712 10.911 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 75 16.892 13.343 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 75 17.441 14.938 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.782 14.308 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.060 13.678 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 75 19.236 13.586 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 75 18.923 12.241 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 75 18.936 11.950 -5.280 1.00 0.00 H new ATOM 570 N VAL A 76 14.159 11.260 -6.900 1.00 0.00 N ATOM 571 CA VAL A 76 13.585 11.549 -8.256 1.00 0.00 C ATOM 572 C VAL A 76 12.010 11.634 -8.096 1.00 0.00 C ATOM 573 O VAL A 76 11.246 10.752 -8.498 1.00 0.00 O ATOM 574 CB VAL A 76 14.106 10.463 -9.269 1.00 0.00 C ATOM 575 CG1 VAL A 76 13.562 10.641 -10.706 1.00 0.00 C ATOM 576 CG2 VAL A 76 15.649 10.406 -9.410 1.00 0.00 C ATOM 0 H VAL A 76 14.382 10.275 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 76 13.907 12.504 -8.672 1.00 0.00 H new ATOM 0 HB VAL A 76 13.732 9.544 -8.819 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.964 9.857 -11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.474 10.577 -10.694 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.864 11.615 -11.091 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.920 9.631 -10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.018 11.370 -9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.095 10.177 -8.442 1.00 0.00 H new ATOM 577 N GLY A 77 11.555 12.737 -7.476 1.00 0.00 N ATOM 578 CA GLY A 77 10.130 12.962 -7.093 1.00 0.00 C ATOM 579 C GLY A 77 9.866 13.385 -5.619 1.00 0.00 C ATOM 580 O GLY A 77 8.842 12.991 -5.056 1.00 0.00 O ATOM 0 H GLY A 77 12.165 13.513 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.718 13.730 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.575 12.045 -7.289 1.00 0.00 H new ATOM 581 N SER A 78 10.729 14.215 -5.002 1.00 0.00 N ATOM 582 CA SER A 78 10.553 14.690 -3.595 1.00 0.00 C ATOM 583 C SER A 78 9.856 16.092 -3.502 1.00 0.00 C ATOM 584 O SER A 78 10.472 17.124 -3.224 1.00 0.00 O ATOM 585 CB SER A 78 11.947 14.660 -2.917 1.00 0.00 C ATOM 586 OG SER A 78 12.346 13.329 -2.586 1.00 0.00 O ATOM 0 H SER A 78 11.568 14.580 -5.453 1.00 0.00 H new ATOM 0 HA SER A 78 9.870 14.026 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.685 15.106 -3.583 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.925 15.269 -2.013 1.00 0.00 H new ATOM 0 HG SER A 78 12.366 12.782 -3.399 1.00 0.00 H new ATOM 587 N ILE A 79 8.539 16.100 -3.754 1.00 0.00 N ATOM 588 CA ILE A 79 7.657 17.303 -3.588 1.00 0.00 C ATOM 589 C ILE A 79 6.737 16.984 -2.350 1.00 0.00 C ATOM 590 O ILE A 79 6.809 17.671 -1.328 1.00 0.00 O ATOM 591 CB ILE A 79 6.904 17.673 -4.927 1.00 0.00 C ATOM 592 CG1 ILE A 79 7.826 18.161 -6.092 1.00 0.00 C ATOM 593 CG2 ILE A 79 5.872 18.812 -4.699 1.00 0.00 C ATOM 594 CD1 ILE A 79 8.600 17.067 -6.849 1.00 0.00 C ATOM 0 H ILE A 79 8.036 15.275 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 79 8.218 18.215 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 79 6.437 16.731 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.212 18.706 -6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.546 18.871 -5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.371 19.043 -5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.134 18.492 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.386 19.701 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.204 17.525 -7.633 1.00 0.00 H new ATOM 0 HD12 ILE A 79 9.250 16.534 -6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 79 7.895 16.366 -7.297 1.00 0.00 H new ATOM 595 N THR A 80 5.866 15.960 -2.443 1.00 0.00 N ATOM 596 CA THR A 80 5.050 15.457 -1.298 1.00 0.00 C ATOM 597 C THR A 80 5.865 14.432 -0.422 1.00 0.00 C ATOM 598 O THR A 80 7.071 14.217 -0.589 1.00 0.00 O ATOM 599 CB THR A 80 3.703 14.860 -1.857 1.00 0.00 C ATOM 600 OG1 THR A 80 3.891 14.021 -2.995 1.00 0.00 O ATOM 601 CG2 THR A 80 2.687 15.935 -2.245 1.00 0.00 C ATOM 0 H THR A 80 5.701 15.451 -3.312 1.00 0.00 H new ATOM 0 HA THR A 80 4.802 16.279 -0.627 1.00 0.00 H new ATOM 0 HB THR A 80 3.318 14.271 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.023 13.679 -3.296 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.781 15.460 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.443 16.538 -1.370 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.111 16.574 -3.019 1.00 0.00 H new ATOM 602 N ASN A 81 5.190 13.788 0.542 1.00 0.00 N ATOM 603 CA ASN A 81 5.759 12.706 1.399 1.00 0.00 C ATOM 604 C ASN A 81 5.991 11.363 0.609 1.00 0.00 C ATOM 605 O ASN A 81 5.331 10.341 0.818 1.00 0.00 O ATOM 606 CB ASN A 81 4.758 12.534 2.578 1.00 0.00 C ATOM 607 CG ASN A 81 4.674 13.668 3.596 1.00 0.00 C ATOM 608 OD1 ASN A 81 3.843 14.561 3.490 1.00 0.00 O ATOM 609 ND2 ASN A 81 5.496 13.667 4.612 1.00 0.00 N ATOM 0 H ASN A 81 4.216 13.999 0.761 1.00 0.00 H new ATOM 0 HA ASN A 81 6.752 12.976 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.764 12.384 2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.019 11.620 3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.443 14.408 5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.190 12.926 4.706 1.00 0.00 H new ATOM 610 N THR A 82 6.979 11.373 -0.291 1.00 0.00 N ATOM 611 CA THR A 82 7.277 10.232 -1.214 1.00 0.00 C ATOM 612 C THR A 82 8.437 9.356 -0.653 1.00 0.00 C ATOM 613 O THR A 82 9.574 9.268 -1.126 1.00 0.00 O ATOM 614 CB THR A 82 7.538 10.740 -2.657 1.00 0.00 C ATOM 615 OG1 THR A 82 8.554 11.737 -2.701 1.00 0.00 O ATOM 616 CG2 THR A 82 6.278 11.333 -3.299 1.00 0.00 C ATOM 0 H THR A 82 7.607 12.167 -0.414 1.00 0.00 H new ATOM 0 HA THR A 82 6.401 9.585 -1.271 1.00 0.00 H new ATOM 0 HB THR A 82 7.859 9.859 -3.214 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.750 11.964 -3.634 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.510 11.675 -4.308 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.500 10.571 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.927 12.175 -2.702 1.00 0.00 H new ATOM 617 N ASN A 83 8.040 8.659 0.400 1.00 0.00 N ATOM 618 CA ASN A 83 8.932 7.789 1.216 1.00 0.00 C ATOM 619 C ASN A 83 8.935 6.326 0.658 1.00 0.00 C ATOM 620 O ASN A 83 8.387 5.396 1.262 1.00 0.00 O ATOM 621 CB ASN A 83 8.448 7.907 2.689 1.00 0.00 C ATOM 622 CG ASN A 83 8.757 9.233 3.388 1.00 0.00 C ATOM 623 OD1 ASN A 83 7.929 10.130 3.492 1.00 0.00 O ATOM 624 ND2 ASN A 83 9.953 9.403 3.890 1.00 0.00 N ATOM 0 H ASN A 83 7.076 8.669 0.733 1.00 0.00 H new ATOM 0 HA ASN A 83 9.974 8.104 1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.370 7.749 2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.900 7.100 3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.188 10.276 4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.650 8.663 3.809 1.00 0.00 H new ATOM 625 N PHE A 84 9.595 6.129 -0.498 1.00 0.00 N ATOM 626 CA PHE A 84 9.556 4.834 -1.224 1.00 0.00 C ATOM 627 C PHE A 84 10.945 4.207 -1.555 1.00 0.00 C ATOM 628 O PHE A 84 11.954 4.876 -1.794 1.00 0.00 O ATOM 629 CB PHE A 84 8.835 5.030 -2.598 1.00 0.00 C ATOM 630 CG PHE A 84 7.434 5.653 -2.625 1.00 0.00 C ATOM 631 CD1 PHE A 84 6.359 5.021 -1.995 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.219 6.844 -3.324 1.00 0.00 C ATOM 633 CE1 PHE A 84 5.088 5.580 -2.057 1.00 0.00 C ATOM 634 CE2 PHE A 84 5.943 7.394 -3.397 1.00 0.00 C ATOM 635 CZ PHE A 84 4.879 6.764 -2.761 1.00 0.00 C ATOM 0 H PHE A 84 10.162 6.844 -0.953 1.00 0.00 H new ATOM 0 HA PHE A 84 9.039 4.159 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.481 5.647 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.769 4.053 -3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 84 6.516 4.097 -1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.047 7.340 -3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 84 4.261 5.096 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.779 8.309 -3.947 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.889 7.193 -2.813 1.00 0.00 H new ATOM 636 N GLY A 85 10.932 2.873 -1.600 1.00 0.00 N ATOM 637 CA GLY A 85 12.064 2.059 -2.099 1.00 0.00 C ATOM 638 C GLY A 85 11.692 1.445 -3.471 1.00 0.00 C ATOM 639 O GLY A 85 10.529 1.440 -3.885 1.00 0.00 O ATOM 0 H GLY A 85 10.135 2.315 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.956 2.678 -2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.300 1.268 -1.386 1.00 0.00 H new ATOM 640 N ILE A 86 12.665 0.907 -4.201 1.00 0.00 N ATOM 641 CA ILE A 86 12.394 0.273 -5.527 1.00 0.00 C ATOM 642 C ILE A 86 12.394 -1.287 -5.366 1.00 0.00 C ATOM 643 O ILE A 86 13.282 -1.873 -4.738 1.00 0.00 O ATOM 644 CB ILE A 86 13.400 0.786 -6.619 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.481 2.336 -6.788 1.00 0.00 C ATOM 646 CG2 ILE A 86 13.034 0.197 -8.002 1.00 0.00 C ATOM 647 CD1 ILE A 86 12.198 3.037 -7.279 1.00 0.00 C ATOM 0 H ILE A 86 13.645 0.887 -3.917 1.00 0.00 H new ATOM 0 HA ILE A 86 11.406 0.566 -5.881 1.00 0.00 H new ATOM 0 HB ILE A 86 14.372 0.450 -6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.763 2.771 -5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.284 2.562 -7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.739 0.560 -8.750 1.00 0.00 H new ATOM 0 HG22 ILE A 86 13.080 -0.891 -7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.025 0.506 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.377 4.109 -7.357 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.919 2.643 -8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.390 2.855 -6.571 1.00 0.00 H new ATOM 648 N CYS A 87 11.407 -1.958 -5.979 1.00 0.00 N ATOM 649 CA CYS A 87 11.333 -3.439 -6.029 1.00 0.00 C ATOM 650 C CYS A 87 12.525 -4.120 -6.794 1.00 0.00 C ATOM 651 O CYS A 87 12.702 -3.899 -7.998 1.00 0.00 O ATOM 652 CB CYS A 87 10.029 -3.761 -6.769 1.00 0.00 C ATOM 653 SG CYS A 87 8.549 -3.619 -5.764 1.00 0.00 S ATOM 0 H CYS A 87 10.634 -1.495 -6.457 1.00 0.00 H new ATOM 0 HA CYS A 87 11.379 -3.825 -5.011 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.937 -3.093 -7.625 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.090 -4.776 -7.162 1.00 0.00 H new ATOM 654 N HIS A 88 13.309 -4.976 -6.120 1.00 0.00 N ATOM 655 CA HIS A 88 14.397 -5.762 -6.768 1.00 0.00 C ATOM 656 C HIS A 88 14.416 -7.211 -6.192 1.00 0.00 C ATOM 657 O HIS A 88 14.082 -7.467 -5.031 1.00 0.00 O ATOM 658 CB HIS A 88 15.748 -5.036 -6.598 1.00 0.00 C ATOM 659 CG HIS A 88 15.961 -3.840 -7.529 1.00 0.00 C ATOM 660 ND1 HIS A 88 16.366 -3.978 -8.850 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.630 -2.502 -7.252 1.00 0.00 C ATOM 662 CE1 HIS A 88 16.245 -2.671 -9.254 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.849 -1.715 -8.365 1.00 0.00 N ATOM 0 H HIS A 88 13.217 -5.149 -5.119 1.00 0.00 H new ATOM 0 HA HIS A 88 14.212 -5.842 -7.839 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.832 -4.694 -5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.552 -5.753 -6.763 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.258 -2.141 -6.304 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.464 -2.400 -10.276 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.745 -0.708 -8.487 1.00 0.00 H new ATOM 664 N ASN A 89 14.909 -8.174 -6.977 1.00 0.00 N ATOM 665 CA ASN A 89 14.829 -9.623 -6.613 1.00 0.00 C ATOM 666 C ASN A 89 16.081 -10.208 -5.877 1.00 0.00 C ATOM 667 O ASN A 89 16.822 -11.070 -6.355 1.00 0.00 O ATOM 668 CB ASN A 89 14.503 -10.323 -7.950 1.00 0.00 C ATOM 669 CG ASN A 89 13.886 -11.713 -7.807 1.00 0.00 C ATOM 670 OD1 ASN A 89 13.123 -11.997 -6.895 1.00 0.00 O ATOM 671 ND2 ASN A 89 14.153 -12.617 -8.707 1.00 0.00 N ATOM 0 H ASN A 89 15.369 -7.994 -7.869 1.00 0.00 H new ATOM 0 HA ASN A 89 14.066 -9.791 -5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.818 -9.693 -8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.419 -10.405 -8.535 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.728 -13.542 -8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 89 14.787 -12.400 -9.476 1.00 0.00 H new ATOM 672 N VAL A 90 16.220 -9.739 -4.640 1.00 0.00 N ATOM 673 CA VAL A 90 17.263 -10.211 -3.668 1.00 0.00 C ATOM 674 C VAL A 90 16.841 -11.536 -2.923 1.00 0.00 C ATOM 675 O VAL A 90 17.679 -12.417 -2.724 1.00 0.00 O ATOM 676 CB VAL A 90 17.631 -9.031 -2.691 1.00 0.00 C ATOM 677 CG1 VAL A 90 18.711 -9.407 -1.647 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.161 -7.757 -3.401 1.00 0.00 C ATOM 0 H VAL A 90 15.616 -9.012 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 90 18.163 -10.487 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 90 16.673 -8.828 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 90 18.915 -8.547 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 90 18.354 -10.236 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.626 -9.702 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.390 -6.994 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 90 19.064 -8.001 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.401 -7.379 -4.085 1.00 0.00 H new ATOM 679 N GLY A 91 15.566 -11.685 -2.520 1.00 0.00 N ATOM 680 CA GLY A 91 15.044 -12.948 -1.907 1.00 0.00 C ATOM 681 C GLY A 91 14.808 -14.214 -2.781 1.00 0.00 C ATOM 682 O GLY A 91 14.398 -15.240 -2.237 1.00 0.00 O ATOM 0 H GLY A 91 14.865 -10.949 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.736 -13.230 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.094 -12.705 -1.430 1.00 0.00 H new ATOM 683 N ARG A 92 15.054 -14.162 -4.097 1.00 0.00 N ATOM 684 CA ARG A 92 15.011 -15.348 -4.998 1.00 0.00 C ATOM 685 C ARG A 92 16.326 -15.396 -5.850 1.00 0.00 C ATOM 686 O ARG A 92 17.200 -16.224 -5.574 1.00 0.00 O ATOM 687 CB ARG A 92 13.667 -15.308 -5.779 1.00 0.00 C ATOM 688 CG ARG A 92 13.422 -16.493 -6.745 1.00 0.00 C ATOM 689 CD ARG A 92 12.001 -16.548 -7.341 1.00 0.00 C ATOM 690 NE ARG A 92 11.744 -15.484 -8.354 1.00 0.00 N ATOM 691 CZ ARG A 92 10.963 -14.421 -8.176 1.00 0.00 C ATOM 692 NH1 ARG A 92 10.410 -14.093 -7.038 1.00 0.00 N ATOM 693 NH2 ARG A 92 10.738 -13.654 -9.197 1.00 0.00 N ATOM 0 H ARG A 92 15.291 -13.296 -4.581 1.00 0.00 H new ATOM 0 HA ARG A 92 15.007 -16.300 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 92 12.849 -15.274 -5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.627 -14.381 -6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 92 14.143 -16.435 -7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 92 13.616 -17.425 -6.214 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.845 -17.524 -7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.273 -16.456 -6.535 1.00 0.00 H new ATOM 0 HE ARG A 92 12.205 -15.579 -9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.567 -14.668 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.822 -13.262 -6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.155 -13.874 -10.102 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.144 -12.831 -9.096 1.00 0.00 H new ATOM 694 N SER A 93 16.538 -14.507 -6.843 1.00 0.00 N ATOM 695 CA SER A 93 17.808 -14.462 -7.627 1.00 0.00 C ATOM 696 C SER A 93 18.975 -13.778 -6.844 1.00 0.00 C ATOM 697 O SER A 93 19.525 -12.734 -7.194 1.00 0.00 O ATOM 698 CB SER A 93 17.510 -13.789 -8.990 1.00 0.00 C ATOM 699 OG SER A 93 17.169 -12.406 -8.858 1.00 0.00 O ATOM 0 H SER A 93 15.852 -13.808 -7.127 1.00 0.00 H new ATOM 0 HA SER A 93 18.165 -15.477 -7.803 1.00 0.00 H new ATOM 0 HB2 SER A 93 18.382 -13.884 -9.636 1.00 0.00 H new ATOM 0 HB3 SER A 93 16.691 -14.316 -9.480 1.00 0.00 H new ATOM 0 HG SER A 93 17.104 -12.174 -7.908 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 19.331 -14.484 -5.725 1.00 0.00 O