USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 917 hydrogens (30 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 82 THR OG1 : rot -116:sc= 0.831 USER MOD Set 1.2: A 83 ASN : amide:sc= -11.2! C(o=-12!,f=-2.2!) USER MOD Set 1.3: A 84 ASN : amide:sc= -1.33 K(o=-12,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.0398 (180deg=-0.209!) USER MOD Single : A 6 GLN : amide:sc= -0.365 K(o=-0.37,f=-3.7!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.942 K(o=-0.94,f=-0.091) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0561 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.564 USER MOD Single : A 24 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.0089) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 33 ASN : amide:sc= -1.08! K(o=-1.1!,f=-0.3) USER MOD Single : A 38 ASN : amide:sc= 0.293 K(o=0.29,f=-8.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.498 X(o=0.5,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.068) USER MOD Single : A 74 THR OG1 : rot 82:sc= 0.645 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00538) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -75:sc= -0.17! USER MOD Single : A 87 HIS : no HD1:sc= -0.937 K(o=-0.94,f=-0.18) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -119:sc= 0.481 USER MOD Single : A 96 SER OG : rot 108:sc= 0.893 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0.042) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.57) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 106 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.13) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 109 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.083) USER MOD Single : A 110 ASN : amide:sc= -2.02! C(o=-2!,f=-3.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -153:sc= -0.705 (180deg=-1.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.787 -1.944 -21.602 1.00 1.00 N ATOM 2 CA MET A 1 18.048 -0.729 -22.425 1.00 1.00 C ATOM 3 C MET A 1 17.184 0.422 -21.919 1.00 1.00 C ATOM 4 O MET A 1 17.675 1.529 -21.702 1.00 1.00 O ATOM 5 CB MET A 1 17.715 -1.026 -23.890 1.00 1.00 C ATOM 6 CG MET A 1 18.727 -2.029 -24.449 1.00 1.00 C ATOM 7 SD MET A 1 18.471 -3.642 -23.668 1.00 1.00 S ATOM 8 CE MET A 1 20.215 -4.107 -23.535 1.00 1.00 C ATOM 0 H1 MET A 1 18.169 -2.781 -22.088 1.00 1.00 H new ATOM 0 H2 MET A 1 18.248 -1.841 -20.675 1.00 1.00 H new ATOM 0 H3 MET A 1 16.762 -2.059 -21.468 1.00 1.00 H new ATOM 0 HA MET A 1 19.099 -0.450 -22.345 1.00 1.00 H new ATOM 0 HB2 MET A 1 16.705 -1.429 -23.970 1.00 1.00 H new ATOM 0 HB3 MET A 1 17.739 -0.106 -24.473 1.00 1.00 H new ATOM 0 HG2 MET A 1 18.612 -2.114 -25.530 1.00 1.00 H new ATOM 0 HG3 MET A 1 19.743 -1.680 -24.263 1.00 1.00 H new ATOM 0 HE1 MET A 1 20.295 -5.090 -23.071 1.00 1.00 H new ATOM 0 HE2 MET A 1 20.660 -4.138 -24.529 1.00 1.00 H new ATOM 0 HE3 MET A 1 20.742 -3.374 -22.924 1.00 1.00 H new ATOM 20 N ASP A 2 15.896 0.150 -21.732 1.00 1.00 N ATOM 21 CA ASP A 2 14.973 1.171 -21.251 1.00 1.00 C ATOM 22 C ASP A 2 13.597 0.569 -20.983 1.00 1.00 C ATOM 23 O ASP A 2 12.606 0.963 -21.598 1.00 1.00 O ATOM 24 CB ASP A 2 14.847 2.292 -22.285 1.00 1.00 C ATOM 25 CG ASP A 2 14.424 1.714 -23.630 1.00 1.00 C ATOM 26 OD1 ASP A 2 14.725 0.558 -23.879 1.00 1.00 O ATOM 27 OD2 ASP A 2 13.804 2.435 -24.394 1.00 1.00 O ATOM 0 H ASP A 2 15.471 -0.761 -21.905 1.00 1.00 H new ATOM 0 HA ASP A 2 15.367 1.578 -20.320 1.00 1.00 H new ATOM 0 HB2 ASP A 2 14.116 3.027 -21.949 1.00 1.00 H new ATOM 0 HB3 ASP A 2 15.799 2.813 -22.387 1.00 1.00 H new ATOM 32 N PRO A 3 13.522 -0.376 -20.083 1.00 1.00 N ATOM 33 CA PRO A 3 12.242 -1.049 -19.726 1.00 1.00 C ATOM 34 C PRO A 3 11.338 -0.153 -18.881 1.00 1.00 C ATOM 35 O PRO A 3 10.388 -0.626 -18.257 1.00 1.00 O ATOM 36 CB PRO A 3 12.688 -2.279 -18.935 1.00 1.00 C ATOM 37 CG PRO A 3 14.016 -1.918 -18.355 1.00 1.00 C ATOM 38 CD PRO A 3 14.654 -0.904 -19.306 1.00 1.00 C ATOM 0 HA PRO A 3 11.649 -1.297 -20.607 1.00 1.00 H new ATOM 0 HB2 PRO A 3 11.971 -2.524 -18.152 1.00 1.00 H new ATOM 0 HB3 PRO A 3 12.766 -3.154 -19.580 1.00 1.00 H new ATOM 0 HG2 PRO A 3 13.900 -1.493 -17.358 1.00 1.00 H new ATOM 0 HG3 PRO A 3 14.646 -2.802 -18.253 1.00 1.00 H new ATOM 0 HD2 PRO A 3 15.165 -0.112 -18.759 1.00 1.00 H new ATOM 0 HD3 PRO A 3 15.395 -1.375 -19.952 1.00 1.00 H new ATOM 46 N GLU A 4 11.642 1.140 -18.865 1.00 1.00 N ATOM 47 CA GLU A 4 10.850 2.092 -18.095 1.00 1.00 C ATOM 48 C GLU A 4 9.529 2.383 -18.801 1.00 1.00 C ATOM 49 O GLU A 4 8.473 2.422 -18.171 1.00 1.00 O ATOM 50 CB GLU A 4 11.631 3.394 -17.909 1.00 1.00 C ATOM 51 CG GLU A 4 10.981 4.224 -16.800 1.00 1.00 C ATOM 52 CD GLU A 4 11.789 5.493 -16.556 1.00 1.00 C ATOM 53 OE1 GLU A 4 12.886 5.382 -16.033 1.00 1.00 O ATOM 54 OE2 GLU A 4 11.297 6.558 -16.890 1.00 1.00 O ATOM 0 H GLU A 4 12.425 1.551 -19.373 1.00 1.00 H new ATOM 0 HA GLU A 4 10.639 1.655 -17.119 1.00 1.00 H new ATOM 0 HB2 GLU A 4 12.668 3.175 -17.654 1.00 1.00 H new ATOM 0 HB3 GLU A 4 11.644 3.959 -18.841 1.00 1.00 H new ATOM 0 HG2 GLU A 4 9.959 4.482 -17.079 1.00 1.00 H new ATOM 0 HG3 GLU A 4 10.923 3.638 -15.883 1.00 1.00 H new ATOM 61 N LEU A 5 9.598 2.589 -20.113 1.00 1.00 N ATOM 62 CA LEU A 5 8.402 2.876 -20.894 1.00 1.00 C ATOM 63 C LEU A 5 7.502 1.647 -20.971 1.00 1.00 C ATOM 64 O LEU A 5 6.290 1.738 -20.779 1.00 1.00 O ATOM 65 CB LEU A 5 8.793 3.312 -22.308 1.00 1.00 C ATOM 66 CG LEU A 5 9.554 4.636 -22.240 1.00 1.00 C ATOM 67 CD1 LEU A 5 10.664 4.642 -23.291 1.00 1.00 C ATOM 68 CD2 LEU A 5 8.589 5.792 -22.515 1.00 1.00 C ATOM 0 H LEU A 5 10.463 2.563 -20.653 1.00 1.00 H new ATOM 0 HA LEU A 5 7.856 3.681 -20.402 1.00 1.00 H new ATOM 0 HB2 LEU A 5 9.412 2.548 -22.778 1.00 1.00 H new ATOM 0 HB3 LEU A 5 7.902 3.424 -22.925 1.00 1.00 H new ATOM 0 HG LEU A 5 9.991 4.752 -21.248 1.00 1.00 H new ATOM 0 HD11 LEU A 5 11.206 5.586 -23.242 1.00 1.00 H new ATOM 0 HD12 LEU A 5 11.352 3.818 -23.099 1.00 1.00 H new ATOM 0 HD13 LEU A 5 10.227 4.526 -24.283 1.00 1.00 H new ATOM 0 HD21 LEU A 5 9.130 6.737 -22.467 1.00 1.00 H new ATOM 0 HD22 LEU A 5 8.153 5.674 -23.507 1.00 1.00 H new ATOM 0 HD23 LEU A 5 7.796 5.790 -21.767 1.00 1.00 H new ATOM 80 N GLN A 6 8.105 0.496 -21.252 1.00 1.00 N ATOM 81 CA GLN A 6 7.348 -0.747 -21.351 1.00 1.00 C ATOM 82 C GLN A 6 6.582 -1.013 -20.060 1.00 1.00 C ATOM 83 O GLN A 6 5.421 -1.419 -20.087 1.00 1.00 O ATOM 84 CB GLN A 6 8.296 -1.915 -21.634 1.00 1.00 C ATOM 85 CG GLN A 6 8.740 -1.870 -23.097 1.00 1.00 C ATOM 86 CD GLN A 6 10.012 -2.692 -23.281 1.00 1.00 C ATOM 87 OE1 GLN A 6 10.963 -2.544 -22.514 1.00 1.00 O ATOM 88 NE2 GLN A 6 10.085 -3.556 -24.256 1.00 1.00 N ATOM 0 H GLN A 6 9.107 0.398 -21.414 1.00 1.00 H new ATOM 0 HA GLN A 6 6.635 -0.651 -22.170 1.00 1.00 H new ATOM 0 HB2 GLN A 6 9.164 -1.859 -20.978 1.00 1.00 H new ATOM 0 HB3 GLN A 6 7.797 -2.861 -21.423 1.00 1.00 H new ATOM 0 HG2 GLN A 6 7.949 -2.260 -23.738 1.00 1.00 H new ATOM 0 HG3 GLN A 6 8.917 -0.838 -23.401 1.00 1.00 H new ATOM 0 HE21 GLN A 6 9.296 -3.677 -24.890 1.00 1.00 H new ATOM 0 HE22 GLN A 6 10.932 -4.111 -24.384 1.00 1.00 H new ATOM 97 N CYS A 7 7.241 -0.780 -18.929 1.00 1.00 N ATOM 98 CA CYS A 7 6.612 -0.998 -17.631 1.00 1.00 C ATOM 99 C CYS A 7 5.213 -0.390 -17.606 1.00 1.00 C ATOM 100 O CYS A 7 4.273 -0.995 -17.092 1.00 1.00 O ATOM 101 CB CYS A 7 7.464 -0.371 -16.526 1.00 1.00 C ATOM 102 SG CYS A 7 6.387 0.446 -15.323 1.00 1.00 S ATOM 0 H CYS A 7 8.203 -0.443 -18.885 1.00 1.00 H new ATOM 0 HA CYS A 7 6.532 -2.072 -17.462 1.00 1.00 H new ATOM 0 HB2 CYS A 7 8.061 -1.138 -16.033 1.00 1.00 H new ATOM 0 HB3 CYS A 7 8.161 0.349 -16.954 1.00 1.00 H new ATOM 107 N ILE A 8 5.084 0.810 -18.162 1.00 1.00 N ATOM 108 CA ILE A 8 3.794 1.490 -18.196 1.00 1.00 C ATOM 109 C ILE A 8 2.838 0.772 -19.144 1.00 1.00 C ATOM 110 O ILE A 8 1.663 0.581 -18.828 1.00 1.00 O ATOM 111 CB ILE A 8 3.979 2.938 -18.655 1.00 1.00 C ATOM 112 CG1 ILE A 8 4.680 3.734 -17.552 1.00 1.00 C ATOM 113 CG2 ILE A 8 2.610 3.561 -18.942 1.00 1.00 C ATOM 114 CD1 ILE A 8 5.143 5.082 -18.111 1.00 1.00 C ATOM 0 H ILE A 8 5.850 1.328 -18.592 1.00 1.00 H new ATOM 0 HA ILE A 8 3.370 1.479 -17.192 1.00 1.00 H new ATOM 0 HB ILE A 8 4.584 2.959 -19.561 1.00 1.00 H new ATOM 0 HG12 ILE A 8 4.001 3.890 -16.714 1.00 1.00 H new ATOM 0 HG13 ILE A 8 5.534 3.174 -17.171 1.00 1.00 H new ATOM 0 HG21 ILE A 8 2.741 4.593 -19.269 1.00 1.00 H new ATOM 0 HG22 ILE A 8 2.109 2.993 -19.726 1.00 1.00 H new ATOM 0 HG23 ILE A 8 2.004 3.542 -18.036 1.00 1.00 H new ATOM 0 HD11 ILE A 8 5.642 5.649 -17.326 1.00 1.00 H new ATOM 0 HD12 ILE A 8 5.837 4.915 -18.935 1.00 1.00 H new ATOM 0 HD13 ILE A 8 4.280 5.642 -18.471 1.00 1.00 H new ATOM 126 N ARG A 9 3.347 0.378 -20.306 1.00 1.00 N ATOM 127 CA ARG A 9 2.528 -0.318 -21.292 1.00 1.00 C ATOM 128 C ARG A 9 1.958 -1.604 -20.702 1.00 1.00 C ATOM 129 O ARG A 9 0.818 -1.976 -20.981 1.00 1.00 O ATOM 130 CB ARG A 9 3.369 -0.655 -22.526 1.00 1.00 C ATOM 131 CG ARG A 9 3.742 0.637 -23.255 1.00 1.00 C ATOM 132 CD ARG A 9 4.624 0.303 -24.461 1.00 1.00 C ATOM 133 NE ARG A 9 4.160 1.025 -25.641 1.00 1.00 N ATOM 134 CZ ARG A 9 3.178 0.545 -26.397 1.00 1.00 C ATOM 135 NH1 ARG A 9 2.605 -0.583 -26.084 1.00 1.00 N ATOM 136 NH2 ARG A 9 2.788 1.205 -27.455 1.00 1.00 N ATOM 0 H ARG A 9 4.316 0.527 -20.587 1.00 1.00 H new ATOM 0 HA ARG A 9 1.705 0.336 -21.579 1.00 1.00 H new ATOM 0 HB2 ARG A 9 4.270 -1.192 -22.230 1.00 1.00 H new ATOM 0 HB3 ARG A 9 2.810 -1.313 -23.192 1.00 1.00 H new ATOM 0 HG2 ARG A 9 2.841 1.156 -23.582 1.00 1.00 H new ATOM 0 HG3 ARG A 9 4.270 1.310 -22.579 1.00 1.00 H new ATOM 0 HD2 ARG A 9 5.660 0.568 -24.248 1.00 1.00 H new ATOM 0 HD3 ARG A 9 4.602 -0.770 -24.651 1.00 1.00 H new ATOM 0 HE ARG A 9 4.596 1.913 -25.890 1.00 1.00 H new ATOM 0 HH11 ARG A 9 2.910 -1.098 -25.258 1.00 1.00 H new ATOM 0 HH12 ARG A 9 1.851 -0.951 -26.665 1.00 1.00 H new ATOM 0 HH21 ARG A 9 3.237 2.087 -27.700 1.00 1.00 H new ATOM 0 HH22 ARG A 9 2.034 0.838 -28.036 1.00 1.00 H new ATOM 150 N GLU A 10 2.760 -2.279 -19.885 1.00 1.00 N ATOM 151 CA GLU A 10 2.328 -3.523 -19.259 1.00 1.00 C ATOM 152 C GLU A 10 1.223 -3.261 -18.242 1.00 1.00 C ATOM 153 O GLU A 10 0.312 -4.072 -18.079 1.00 1.00 O ATOM 154 CB GLU A 10 3.514 -4.197 -18.565 1.00 1.00 C ATOM 155 CG GLU A 10 4.574 -4.564 -19.604 1.00 1.00 C ATOM 156 CD GLU A 10 4.555 -6.067 -19.860 1.00 1.00 C ATOM 157 OE1 GLU A 10 3.689 -6.514 -20.593 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.409 -6.750 -19.318 1.00 1.00 O ATOM 0 H GLU A 10 3.707 -1.988 -19.642 1.00 1.00 H new ATOM 0 HA GLU A 10 1.939 -4.180 -20.036 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.939 -3.528 -17.817 1.00 1.00 H new ATOM 0 HB3 GLU A 10 3.180 -5.092 -18.039 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.386 -4.026 -20.533 1.00 1.00 H new ATOM 0 HG3 GLU A 10 5.560 -4.259 -19.253 1.00 1.00 H new ATOM 165 N CYS A 11 1.310 -2.123 -17.559 1.00 1.00 N ATOM 166 CA CYS A 11 0.309 -1.768 -16.560 1.00 1.00 C ATOM 167 C CYS A 11 -0.935 -1.192 -17.227 1.00 1.00 C ATOM 168 O CYS A 11 -2.059 -1.453 -16.797 1.00 1.00 O ATOM 169 CB CYS A 11 0.888 -0.742 -15.584 1.00 1.00 C ATOM 170 SG CYS A 11 -0.125 -0.699 -14.084 1.00 1.00 S ATOM 0 H CYS A 11 2.056 -1.437 -17.678 1.00 1.00 H new ATOM 0 HA CYS A 11 0.030 -2.671 -16.017 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.917 -1.002 -15.334 1.00 1.00 H new ATOM 0 HB3 CYS A 11 0.912 0.244 -16.048 1.00 1.00 H new ATOM 175 N ARG A 12 -0.726 -0.407 -18.280 1.00 1.00 N ATOM 176 CA ARG A 12 -1.841 0.199 -18.999 1.00 1.00 C ATOM 177 C ARG A 12 -2.783 -0.875 -19.533 1.00 1.00 C ATOM 178 O ARG A 12 -4.003 -0.716 -19.504 1.00 1.00 O ATOM 179 CB ARG A 12 -1.314 1.043 -20.162 1.00 1.00 C ATOM 180 CG ARG A 12 -1.812 2.482 -20.017 1.00 1.00 C ATOM 181 CD ARG A 12 -1.253 3.333 -21.157 1.00 1.00 C ATOM 182 NE ARG A 12 -2.126 4.473 -21.412 1.00 1.00 N ATOM 183 CZ ARG A 12 -3.186 4.364 -22.206 1.00 1.00 C ATOM 184 NH1 ARG A 12 -3.461 3.222 -22.774 1.00 1.00 N ATOM 185 NH2 ARG A 12 -3.953 5.399 -22.416 1.00 1.00 N ATOM 0 H ARG A 12 0.196 -0.177 -18.651 1.00 1.00 H new ATOM 0 HA ARG A 12 -2.392 0.836 -18.307 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -0.224 1.024 -20.174 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -1.651 0.625 -21.110 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -2.902 2.504 -20.033 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -1.499 2.891 -19.056 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -0.252 3.682 -20.902 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -1.160 2.729 -22.059 1.00 1.00 H new ATOM 0 HE ARG A 12 -1.919 5.370 -20.973 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -2.862 2.413 -22.609 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -4.275 3.138 -23.383 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -3.739 6.291 -21.971 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -4.767 5.316 -23.025 1.00 1.00 H new ATOM 199 N LEU A 13 -2.208 -1.969 -20.020 1.00 1.00 N ATOM 200 CA LEU A 13 -3.006 -3.065 -20.558 1.00 1.00 C ATOM 201 C LEU A 13 -3.918 -3.639 -19.479 1.00 1.00 C ATOM 202 O LEU A 13 -5.089 -3.927 -19.730 1.00 1.00 O ATOM 203 CB LEU A 13 -2.084 -4.165 -21.095 1.00 1.00 C ATOM 204 CG LEU A 13 -2.910 -5.231 -21.830 1.00 1.00 C ATOM 205 CD1 LEU A 13 -3.557 -4.629 -23.084 1.00 1.00 C ATOM 206 CD2 LEU A 13 -1.992 -6.384 -22.240 1.00 1.00 C ATOM 0 H LEU A 13 -1.200 -2.120 -20.054 1.00 1.00 H new ATOM 0 HA LEU A 13 -3.623 -2.681 -21.371 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -1.346 -3.734 -21.772 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -1.533 -4.623 -20.273 1.00 1.00 H new ATOM 0 HG LEU A 13 -3.694 -5.595 -21.166 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -4.140 -5.395 -23.596 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -4.212 -3.806 -22.796 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -2.780 -4.257 -23.752 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -2.573 -7.144 -22.762 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -1.209 -6.009 -22.899 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -1.538 -6.822 -21.351 1.00 1.00 H new ATOM 218 N ALA A 14 -3.374 -3.805 -18.277 1.00 1.00 N ATOM 219 CA ALA A 14 -4.149 -4.346 -17.167 1.00 1.00 C ATOM 220 C ALA A 14 -5.158 -3.317 -16.665 1.00 1.00 C ATOM 221 O ALA A 14 -6.225 -3.672 -16.168 1.00 1.00 O ATOM 222 CB ALA A 14 -3.214 -4.746 -16.024 1.00 1.00 C ATOM 0 H ALA A 14 -2.407 -3.575 -18.048 1.00 1.00 H new ATOM 0 HA ALA A 14 -4.689 -5.225 -17.520 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -3.800 -5.149 -15.198 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -2.513 -5.503 -16.375 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -2.661 -3.871 -15.683 1.00 1.00 H new ATOM 228 N GLN A 15 -4.810 -2.041 -16.802 1.00 1.00 N ATOM 229 CA GLN A 15 -5.695 -0.969 -16.361 1.00 1.00 C ATOM 230 C GLN A 15 -6.934 -0.898 -17.247 1.00 1.00 C ATOM 231 O GLN A 15 -8.028 -0.589 -16.777 1.00 1.00 O ATOM 232 CB GLN A 15 -4.954 0.370 -16.405 1.00 1.00 C ATOM 233 CG GLN A 15 -3.764 0.327 -15.444 1.00 1.00 C ATOM 234 CD GLN A 15 -3.990 1.301 -14.293 1.00 1.00 C ATOM 235 OE1 GLN A 15 -4.863 1.080 -13.455 1.00 1.00 O ATOM 236 NE2 GLN A 15 -3.250 2.371 -14.200 1.00 1.00 N ATOM 0 H GLN A 15 -3.930 -1.726 -17.211 1.00 1.00 H new ATOM 0 HA GLN A 15 -6.007 -1.178 -15.338 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -4.609 0.574 -17.419 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -5.629 1.180 -16.129 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -3.635 -0.684 -15.056 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -2.847 0.584 -15.975 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -2.527 2.553 -14.896 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -3.395 3.026 -13.432 1.00 1.00 H new ATOM 245 N LEU A 16 -6.751 -1.186 -18.533 1.00 1.00 N ATOM 246 CA LEU A 16 -7.861 -1.152 -19.477 1.00 1.00 C ATOM 247 C LEU A 16 -8.409 0.265 -19.610 1.00 1.00 C ATOM 248 O LEU A 16 -8.245 0.909 -20.646 1.00 1.00 O ATOM 249 CB LEU A 16 -8.974 -2.092 -19.010 1.00 1.00 C ATOM 250 CG LEU A 16 -9.859 -2.467 -20.200 1.00 1.00 C ATOM 251 CD1 LEU A 16 -9.320 -3.739 -20.857 1.00 1.00 C ATOM 252 CD2 LEU A 16 -11.289 -2.712 -19.713 1.00 1.00 C ATOM 0 H LEU A 16 -5.852 -1.443 -18.941 1.00 1.00 H new ATOM 0 HA LEU A 16 -7.495 -1.480 -20.450 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -8.544 -2.990 -18.566 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -9.572 -1.609 -18.237 1.00 1.00 H new ATOM 0 HG LEU A 16 -9.855 -1.654 -20.926 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -9.951 -4.006 -21.705 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -8.301 -3.566 -21.203 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -9.324 -4.553 -20.132 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -11.921 -2.979 -20.560 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -11.292 -3.525 -18.987 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -11.674 -1.806 -19.245 1.00 1.00 H new ATOM 264 N LYS A 17 -9.062 0.744 -18.557 1.00 1.00 N ATOM 265 CA LYS A 17 -9.630 2.087 -18.566 1.00 1.00 C ATOM 266 C LYS A 17 -9.890 2.570 -17.144 1.00 1.00 C ATOM 267 O LYS A 17 -9.165 3.420 -16.625 1.00 1.00 O ATOM 268 CB LYS A 17 -10.940 2.094 -19.357 1.00 1.00 C ATOM 269 CG LYS A 17 -11.338 3.535 -19.675 1.00 1.00 C ATOM 270 CD LYS A 17 -10.968 3.861 -21.123 1.00 1.00 C ATOM 271 CE LYS A 17 -10.978 5.378 -21.323 1.00 1.00 C ATOM 272 NZ LYS A 17 -11.035 5.686 -22.780 1.00 1.00 N ATOM 0 H LYS A 17 -9.211 0.226 -17.691 1.00 1.00 H new ATOM 0 HA LYS A 17 -8.915 2.760 -19.040 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -10.822 1.526 -20.280 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -11.727 1.607 -18.781 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -12.409 3.669 -19.524 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -10.832 4.221 -18.996 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -9.982 3.459 -21.357 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -11.675 3.389 -21.805 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -11.836 5.817 -20.814 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -10.085 5.820 -20.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -11.042 6.717 -22.917 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -10.203 5.279 -23.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -11.900 5.277 -23.188 1.00 1.00 H new ATOM 286 N ASN A 18 -10.927 2.026 -16.518 1.00 1.00 N ATOM 287 CA ASN A 18 -11.275 2.409 -15.155 1.00 1.00 C ATOM 288 C ASN A 18 -11.567 3.904 -15.077 1.00 1.00 C ATOM 289 O ASN A 18 -11.041 4.692 -15.864 1.00 1.00 O ATOM 290 CB ASN A 18 -10.126 2.062 -14.206 1.00 1.00 C ATOM 291 CG ASN A 18 -10.600 1.063 -13.157 1.00 1.00 C ATOM 292 OD1 ASN A 18 -10.605 1.367 -11.964 1.00 1.00 O ATOM 293 ND2 ASN A 18 -11.004 -0.121 -13.532 1.00 1.00 N ATOM 0 H ASN A 18 -11.539 1.322 -16.930 1.00 1.00 H new ATOM 0 HA ASN A 18 -12.169 1.859 -14.860 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -9.292 1.642 -14.769 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -9.759 2.966 -13.720 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -11.324 -0.795 -12.836 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -11.000 -0.372 -14.521 1.00 1.00 H new ATOM 300 N ASN A 19 -12.409 4.288 -14.122 1.00 1.00 N ATOM 301 CA ASN A 19 -12.765 5.691 -13.950 1.00 1.00 C ATOM 302 C ASN A 19 -12.758 6.069 -12.472 1.00 1.00 C ATOM 303 O ASN A 19 -13.043 5.239 -11.609 1.00 1.00 O ATOM 304 CB ASN A 19 -14.153 5.954 -14.538 1.00 1.00 C ATOM 305 CG ASN A 19 -14.306 7.433 -14.874 1.00 1.00 C ATOM 306 OD1 ASN A 19 -14.255 7.812 -16.046 1.00 1.00 O ATOM 307 ND2 ASN A 19 -14.489 8.297 -13.915 1.00 1.00 N ATOM 0 H ASN A 19 -12.854 3.652 -13.460 1.00 1.00 H new ATOM 0 HA ASN A 19 -12.027 6.299 -14.473 1.00 1.00 H new ATOM 0 HB2 ASN A 19 -14.297 5.352 -15.435 1.00 1.00 H new ATOM 0 HB3 ASN A 19 -14.921 5.653 -13.826 1.00 1.00 H new ATOM 0 HD21 ASN A 19 -14.590 9.288 -14.134 1.00 1.00 H new ATOM 0 HD22 ASN A 19 -14.531 7.982 -12.946 1.00 1.00 H new ATOM 314 N SER A 20 -12.428 7.326 -12.188 1.00 1.00 N ATOM 315 CA SER A 20 -12.387 7.800 -10.810 1.00 1.00 C ATOM 316 C SER A 20 -12.825 9.259 -10.732 1.00 1.00 C ATOM 317 O SER A 20 -13.663 9.708 -11.514 1.00 1.00 O ATOM 318 CB SER A 20 -10.970 7.661 -10.253 1.00 1.00 C ATOM 319 OG SER A 20 -11.033 7.500 -8.843 1.00 1.00 O ATOM 0 H SER A 20 -12.187 8.028 -12.887 1.00 1.00 H new ATOM 0 HA SER A 20 -13.072 7.195 -10.217 1.00 1.00 H new ATOM 0 HB2 SER A 20 -10.471 6.804 -10.706 1.00 1.00 H new ATOM 0 HB3 SER A 20 -10.380 8.543 -10.504 1.00 1.00 H new ATOM 0 HG SER A 20 -10.126 7.409 -8.483 1.00 1.00 H new ATOM 325 N GLY A 21 -12.252 9.994 -9.784 1.00 1.00 N ATOM 326 CA GLY A 21 -12.591 11.401 -9.614 1.00 1.00 C ATOM 327 C GLY A 21 -11.545 12.115 -8.763 1.00 1.00 C ATOM 328 O GLY A 21 -10.673 12.807 -9.286 1.00 1.00 O ATOM 0 H GLY A 21 -11.556 9.641 -9.127 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -12.662 11.882 -10.589 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -13.570 11.489 -9.143 1.00 1.00 H new ATOM 332 N GLY A 22 -11.641 11.940 -7.449 1.00 1.00 N ATOM 333 CA GLY A 22 -10.696 12.572 -6.534 1.00 1.00 C ATOM 334 C GLY A 22 -10.654 14.077 -6.748 1.00 1.00 C ATOM 335 O GLY A 22 -11.682 14.716 -6.968 1.00 1.00 O ATOM 0 H GLY A 22 -12.357 11.371 -6.996 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -10.981 12.355 -5.504 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -9.702 12.152 -6.685 1.00 1.00 H new ATOM 339 N THR A 23 -9.453 14.635 -6.681 1.00 1.00 N ATOM 340 CA THR A 23 -9.275 16.067 -6.869 1.00 1.00 C ATOM 341 C THR A 23 -9.855 16.840 -5.688 1.00 1.00 C ATOM 342 O THR A 23 -10.658 16.310 -4.922 1.00 1.00 O ATOM 343 CB THR A 23 -9.960 16.515 -8.163 1.00 1.00 C ATOM 344 OG1 THR A 23 -10.009 15.424 -9.072 1.00 1.00 O ATOM 345 CG2 THR A 23 -9.169 17.667 -8.787 1.00 1.00 C ATOM 0 H THR A 23 -8.592 14.120 -6.499 1.00 1.00 H new ATOM 0 HA THR A 23 -8.207 16.275 -6.934 1.00 1.00 H new ATOM 0 HB THR A 23 -10.973 16.850 -7.942 1.00 1.00 H new ATOM 0 HG1 THR A 23 -10.449 15.708 -9.901 1.00 1.00 H new ATOM 0 HG21 THR A 23 -9.656 17.986 -9.708 1.00 1.00 H new ATOM 0 HG22 THR A 23 -9.131 18.503 -8.088 1.00 1.00 H new ATOM 0 HG23 THR A 23 -8.155 17.334 -9.010 1.00 1.00 H new ATOM 353 N ASN A 24 -9.440 18.094 -5.549 1.00 1.00 N ATOM 354 CA ASN A 24 -9.925 18.933 -4.458 1.00 1.00 C ATOM 355 C ASN A 24 -9.997 18.137 -3.160 1.00 1.00 C ATOM 356 O ASN A 24 -10.798 18.443 -2.276 1.00 1.00 O ATOM 357 CB ASN A 24 -11.311 19.484 -4.797 1.00 1.00 C ATOM 358 CG ASN A 24 -11.265 20.225 -6.130 1.00 1.00 C ATOM 359 OD1 ASN A 24 -12.295 20.392 -6.783 1.00 1.00 O ATOM 360 ND2 ASN A 24 -10.127 20.681 -6.575 1.00 1.00 N ATOM 0 H ASN A 24 -8.774 18.550 -6.173 1.00 1.00 H new ATOM 0 HA ASN A 24 -9.228 19.760 -4.326 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -12.033 18.669 -4.849 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -11.647 20.157 -4.008 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -10.089 21.177 -7.466 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -9.275 20.542 -6.032 1.00 1.00 H new ATOM 367 N GLY A 25 -9.157 17.112 -3.052 1.00 1.00 N ATOM 368 CA GLY A 25 -9.136 16.277 -1.858 1.00 1.00 C ATOM 369 C GLY A 25 -10.473 15.569 -1.663 1.00 1.00 C ATOM 370 O GLY A 25 -11.497 16.210 -1.428 1.00 1.00 O ATOM 0 H GLY A 25 -8.487 16.842 -3.772 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -8.338 15.539 -1.940 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -8.914 16.890 -0.985 1.00 1.00 H new ATOM 374 N ASP A 26 -10.455 14.244 -1.765 1.00 1.00 N ATOM 375 CA ASP A 26 -11.673 13.458 -1.600 1.00 1.00 C ATOM 376 C ASP A 26 -11.334 11.998 -1.320 1.00 1.00 C ATOM 377 O ASP A 26 -12.096 11.096 -1.669 1.00 1.00 O ATOM 378 CB ASP A 26 -12.530 13.553 -2.863 1.00 1.00 C ATOM 379 CG ASP A 26 -13.989 13.788 -2.487 1.00 1.00 C ATOM 380 OD1 ASP A 26 -14.553 12.934 -1.822 1.00 1.00 O ATOM 381 OD2 ASP A 26 -14.521 14.817 -2.870 1.00 1.00 O ATOM 0 H ASP A 26 -9.618 13.695 -1.960 1.00 1.00 H new ATOM 0 HA ASP A 26 -12.230 13.858 -0.753 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -12.173 14.367 -3.494 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -12.439 12.635 -3.444 1.00 1.00 H new ATOM 386 N ARG A 27 -10.187 11.773 -0.688 1.00 1.00 N ATOM 387 CA ARG A 27 -9.757 10.416 -0.366 1.00 1.00 C ATOM 388 C ARG A 27 -8.679 10.438 0.714 1.00 1.00 C ATOM 389 O ARG A 27 -7.982 9.447 0.928 1.00 1.00 O ATOM 390 CB ARG A 27 -9.214 9.723 -1.620 1.00 1.00 C ATOM 391 CG ARG A 27 -8.500 10.745 -2.512 1.00 1.00 C ATOM 392 CD ARG A 27 -7.395 11.441 -1.715 1.00 1.00 C ATOM 393 NE ARG A 27 -6.472 12.116 -2.619 1.00 1.00 N ATOM 394 CZ ARG A 27 -5.470 11.459 -3.195 1.00 1.00 C ATOM 395 NH1 ARG A 27 -5.300 10.187 -2.955 1.00 1.00 N ATOM 396 NH2 ARG A 27 -4.656 12.086 -4.000 1.00 1.00 N ATOM 0 H ARG A 27 -9.543 12.506 -0.390 1.00 1.00 H new ATOM 0 HA ARG A 27 -10.619 9.863 0.007 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -8.523 8.929 -1.337 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -10.030 9.255 -2.170 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -8.075 10.247 -3.384 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -9.214 11.481 -2.882 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -7.833 12.162 -1.025 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -6.856 10.710 -1.112 1.00 1.00 H new ATOM 0 HE ARG A 27 -6.597 13.110 -2.813 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -5.936 9.697 -2.326 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -4.531 9.683 -3.397 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -4.789 13.080 -4.187 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -3.887 11.582 -4.442 1.00 1.00 H new ATOM 410 N ASN A 28 -8.551 11.573 1.391 1.00 1.00 N ATOM 411 CA ASN A 28 -7.555 11.713 2.448 1.00 1.00 C ATOM 412 C ASN A 28 -7.712 10.602 3.482 1.00 1.00 C ATOM 413 O ASN A 28 -8.813 10.093 3.696 1.00 1.00 O ATOM 414 CB ASN A 28 -7.704 13.074 3.131 1.00 1.00 C ATOM 415 CG ASN A 28 -6.707 14.065 2.541 1.00 1.00 C ATOM 416 OD1 ASN A 28 -5.960 14.708 3.278 1.00 1.00 O ATOM 417 ND2 ASN A 28 -6.650 14.228 1.247 1.00 1.00 N ATOM 0 H ASN A 28 -9.119 12.404 1.229 1.00 1.00 H new ATOM 0 HA ASN A 28 -6.564 11.640 2.000 1.00 1.00 H new ATOM 0 HB2 ASN A 28 -8.720 13.446 3.000 1.00 1.00 H new ATOM 0 HB3 ASN A 28 -7.537 12.972 4.203 1.00 1.00 H new ATOM 0 HD21 ASN A 28 -5.985 14.889 0.845 1.00 1.00 H new ATOM 0 HD22 ASN A 28 -7.270 13.694 0.638 1.00 1.00 H new ATOM 424 N SER A 29 -6.604 10.237 4.121 1.00 1.00 N ATOM 425 CA SER A 29 -6.619 9.187 5.135 1.00 1.00 C ATOM 426 C SER A 29 -7.566 8.059 4.733 1.00 1.00 C ATOM 427 O SER A 29 -7.363 7.396 3.716 1.00 1.00 O ATOM 428 CB SER A 29 -7.058 9.766 6.479 1.00 1.00 C ATOM 429 OG SER A 29 -6.180 10.824 6.843 1.00 1.00 O ATOM 0 H SER A 29 -5.687 10.651 3.955 1.00 1.00 H new ATOM 0 HA SER A 29 -5.610 8.783 5.223 1.00 1.00 H new ATOM 0 HB2 SER A 29 -8.082 10.134 6.413 1.00 1.00 H new ATOM 0 HB3 SER A 29 -7.047 8.989 7.244 1.00 1.00 H new ATOM 0 HG SER A 29 -6.459 11.199 7.704 1.00 1.00 H new ATOM 435 N GLY A 30 -8.600 7.846 5.541 1.00 1.00 N ATOM 436 CA GLY A 30 -9.573 6.796 5.259 1.00 1.00 C ATOM 437 C GLY A 30 -9.022 5.427 5.639 1.00 1.00 C ATOM 438 O GLY A 30 -7.857 5.123 5.383 1.00 1.00 O ATOM 0 H GLY A 30 -8.785 8.381 6.389 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -10.492 6.989 5.812 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -9.830 6.808 4.200 1.00 1.00 H new ATOM 442 N ALA A 31 -9.867 4.603 6.251 1.00 1.00 N ATOM 443 CA ALA A 31 -9.452 3.267 6.663 1.00 1.00 C ATOM 444 C ALA A 31 -9.028 2.441 5.452 1.00 1.00 C ATOM 445 O ALA A 31 -9.002 2.941 4.327 1.00 1.00 O ATOM 446 CB ALA A 31 -10.603 2.564 7.385 1.00 1.00 C ATOM 0 H ALA A 31 -10.836 4.834 6.471 1.00 1.00 H new ATOM 0 HA ALA A 31 -8.602 3.362 7.339 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -10.286 1.567 7.690 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -10.886 3.140 8.266 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -11.458 2.484 6.714 1.00 1.00 H new ATOM 452 N ASN A 32 -8.701 1.176 5.691 1.00 1.00 N ATOM 453 CA ASN A 32 -8.280 0.291 4.611 1.00 1.00 C ATOM 454 C ASN A 32 -8.492 -1.169 5.002 1.00 1.00 C ATOM 455 O ASN A 32 -8.336 -1.538 6.166 1.00 1.00 O ATOM 456 CB ASN A 32 -6.803 0.525 4.288 1.00 1.00 C ATOM 457 CG ASN A 32 -6.614 0.655 2.780 1.00 1.00 C ATOM 458 OD1 ASN A 32 -6.233 1.717 2.290 1.00 1.00 O ATOM 459 ND2 ASN A 32 -6.860 -0.371 2.011 1.00 1.00 N ATOM 0 H ASN A 32 -8.719 0.743 6.614 1.00 1.00 H new ATOM 0 HA ASN A 32 -8.883 0.512 3.730 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -6.452 1.429 4.786 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -6.203 -0.302 4.668 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -6.736 -0.293 1.002 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -7.176 -1.251 2.420 1.00 1.00 H new ATOM 466 N ASN A 33 -8.847 -1.993 4.021 1.00 1.00 N ATOM 467 CA ASN A 33 -9.077 -3.410 4.275 1.00 1.00 C ATOM 468 C ASN A 33 -7.821 -4.220 3.971 1.00 1.00 C ATOM 469 O ASN A 33 -7.026 -3.850 3.106 1.00 1.00 O ATOM 470 CB ASN A 33 -10.233 -3.915 3.410 1.00 1.00 C ATOM 471 CG ASN A 33 -9.706 -4.387 2.059 1.00 1.00 C ATOM 472 OD1 ASN A 33 -9.742 -3.638 1.082 1.00 1.00 O ATOM 473 ND2 ASN A 33 -9.214 -5.589 1.945 1.00 1.00 N ATOM 0 H ASN A 33 -8.981 -1.707 3.051 1.00 1.00 H new ATOM 0 HA ASN A 33 -9.330 -3.534 5.328 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -10.746 -4.733 3.916 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -10.965 -3.120 3.267 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -8.858 -5.911 1.045 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -9.185 -6.207 2.756 1.00 1.00 H new ATOM 480 N GLY A 34 -7.647 -5.325 4.687 1.00 1.00 N ATOM 481 CA GLY A 34 -6.483 -6.180 4.484 1.00 1.00 C ATOM 482 C GLY A 34 -6.857 -7.652 4.610 1.00 1.00 C ATOM 483 O GLY A 34 -7.955 -7.988 5.054 1.00 1.00 O ATOM 0 H GLY A 34 -8.292 -5.648 5.408 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -6.057 -5.993 3.498 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -5.714 -5.933 5.216 1.00 1.00 H new ATOM 487 N GLY A 35 -5.937 -8.527 4.218 1.00 1.00 N ATOM 488 CA GLY A 35 -6.181 -9.963 4.292 1.00 1.00 C ATOM 489 C GLY A 35 -5.437 -10.699 3.184 1.00 1.00 C ATOM 490 O GLY A 35 -6.009 -11.544 2.494 1.00 1.00 O ATOM 0 H GLY A 35 -5.022 -8.270 3.848 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -5.861 -10.341 5.263 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -7.250 -10.159 4.210 1.00 1.00 H new ATOM 494 N GLY A 36 -4.158 -10.377 3.020 1.00 1.00 N ATOM 495 CA GLY A 36 -3.345 -11.015 1.992 1.00 1.00 C ATOM 496 C GLY A 36 -3.466 -12.533 2.068 1.00 1.00 C ATOM 497 O GLY A 36 -4.250 -13.136 1.335 1.00 1.00 O ATOM 0 H GLY A 36 -3.665 -9.683 3.582 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -3.660 -10.670 1.007 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -2.302 -10.723 2.114 1.00 1.00 H new ATOM 501 N GLU A 37 -2.684 -13.137 2.964 1.00 1.00 N ATOM 502 CA GLU A 37 -2.698 -14.589 3.144 1.00 1.00 C ATOM 503 C GLU A 37 -2.948 -15.307 1.820 1.00 1.00 C ATOM 504 O GLU A 37 -4.041 -15.816 1.578 1.00 1.00 O ATOM 505 CB GLU A 37 -3.785 -14.977 4.148 1.00 1.00 C ATOM 506 CG GLU A 37 -3.572 -16.421 4.604 1.00 1.00 C ATOM 507 CD GLU A 37 -4.917 -17.090 4.862 1.00 1.00 C ATOM 508 OE1 GLU A 37 -5.825 -16.401 5.296 1.00 1.00 O ATOM 509 OE2 GLU A 37 -5.021 -18.283 4.621 1.00 1.00 O ATOM 0 H GLU A 37 -2.034 -12.644 3.576 1.00 1.00 H new ATOM 0 HA GLU A 37 -1.721 -14.892 3.521 1.00 1.00 H new ATOM 0 HB2 GLU A 37 -3.757 -14.306 5.007 1.00 1.00 H new ATOM 0 HB3 GLU A 37 -4.769 -14.871 3.692 1.00 1.00 H new ATOM 0 HG2 GLU A 37 -3.022 -16.974 3.843 1.00 1.00 H new ATOM 0 HG3 GLU A 37 -2.968 -16.439 5.511 1.00 1.00 H new ATOM 516 N ASN A 38 -1.926 -15.340 0.969 1.00 1.00 N ATOM 517 CA ASN A 38 -2.042 -15.996 -0.329 1.00 1.00 C ATOM 518 C ASN A 38 -2.783 -15.101 -1.318 1.00 1.00 C ATOM 519 O ASN A 38 -3.295 -14.044 -0.949 1.00 1.00 O ATOM 520 CB ASN A 38 -2.787 -17.326 -0.183 1.00 1.00 C ATOM 521 CG ASN A 38 -2.278 -18.323 -1.218 1.00 1.00 C ATOM 522 OD1 ASN A 38 -2.002 -17.949 -2.357 1.00 1.00 O ATOM 523 ND2 ASN A 38 -2.145 -19.580 -0.890 1.00 1.00 N ATOM 0 H ASN A 38 -1.014 -14.923 1.154 1.00 1.00 H new ATOM 0 HA ASN A 38 -1.038 -16.185 -0.708 1.00 1.00 H new ATOM 0 HB2 ASN A 38 -2.643 -17.725 0.821 1.00 1.00 H new ATOM 0 HB3 ASN A 38 -3.858 -17.169 -0.313 1.00 1.00 H new ATOM 0 HD21 ASN A 38 -1.812 -20.254 -1.579 1.00 1.00 H new ATOM 0 HD22 ASN A 38 -2.375 -19.888 0.055 1.00 1.00 H new ATOM 530 N SER A 39 -2.833 -15.531 -2.574 1.00 1.00 N ATOM 531 CA SER A 39 -3.513 -14.758 -3.608 1.00 1.00 C ATOM 532 C SER A 39 -3.075 -13.299 -3.558 1.00 1.00 C ATOM 533 O SER A 39 -3.573 -12.520 -2.746 1.00 1.00 O ATOM 534 CB SER A 39 -5.027 -14.846 -3.415 1.00 1.00 C ATOM 535 OG SER A 39 -5.398 -16.205 -3.222 1.00 1.00 O ATOM 0 H SER A 39 -2.415 -16.403 -2.899 1.00 1.00 H new ATOM 0 HA SER A 39 -3.247 -15.173 -4.580 1.00 1.00 H new ATOM 0 HB2 SER A 39 -5.331 -14.249 -2.555 1.00 1.00 H new ATOM 0 HB3 SER A 39 -5.540 -14.437 -4.285 1.00 1.00 H new ATOM 0 HG SER A 39 -6.368 -16.265 -3.096 1.00 1.00 H new ATOM 541 N ALA A 40 -2.139 -12.936 -4.430 1.00 1.00 N ATOM 542 CA ALA A 40 -1.637 -11.567 -4.477 1.00 1.00 C ATOM 543 C ALA A 40 -0.443 -11.468 -5.424 1.00 1.00 C ATOM 544 O ALA A 40 0.689 -11.244 -4.994 1.00 1.00 O ATOM 545 CB ALA A 40 -1.219 -11.115 -3.076 1.00 1.00 C ATOM 0 H ALA A 40 -1.715 -13.567 -5.110 1.00 1.00 H new ATOM 0 HA ALA A 40 -2.433 -10.919 -4.844 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -0.845 -10.092 -3.120 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -2.079 -11.159 -2.408 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -0.434 -11.772 -2.701 1.00 1.00 H new ATOM 551 N PRO A 41 -0.678 -11.630 -6.699 1.00 1.00 N ATOM 552 CA PRO A 41 0.393 -11.558 -7.731 1.00 1.00 C ATOM 553 C PRO A 41 0.761 -10.114 -8.068 1.00 1.00 C ATOM 554 O PRO A 41 0.422 -9.195 -7.325 1.00 1.00 O ATOM 555 CB PRO A 41 -0.227 -12.268 -8.934 1.00 1.00 C ATOM 556 CG PRO A 41 -1.704 -12.084 -8.790 1.00 1.00 C ATOM 557 CD PRO A 41 -1.995 -11.902 -7.297 1.00 1.00 C ATOM 0 HA PRO A 41 1.326 -12.014 -7.399 1.00 1.00 H new ATOM 0 HB2 PRO A 41 0.132 -11.840 -9.870 1.00 1.00 H new ATOM 0 HB3 PRO A 41 0.037 -13.325 -8.945 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.040 -11.215 -9.356 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -2.239 -12.948 -9.184 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -2.688 -11.078 -7.125 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -2.449 -12.795 -6.869 1.00 1.00 H new ATOM 565 N VAL A 42 1.451 -9.933 -9.198 1.00 1.00 N ATOM 566 CA VAL A 42 1.869 -8.605 -9.652 1.00 1.00 C ATOM 567 C VAL A 42 2.128 -7.664 -8.478 1.00 1.00 C ATOM 568 O VAL A 42 1.599 -6.553 -8.435 1.00 1.00 O ATOM 569 CB VAL A 42 0.803 -7.999 -10.568 1.00 1.00 C ATOM 570 CG1 VAL A 42 0.872 -8.672 -11.938 1.00 1.00 C ATOM 571 CG2 VAL A 42 -0.587 -8.221 -9.963 1.00 1.00 C ATOM 0 H VAL A 42 1.732 -10.693 -9.817 1.00 1.00 H new ATOM 0 HA VAL A 42 2.801 -8.726 -10.204 1.00 1.00 H new ATOM 0 HB VAL A 42 0.984 -6.929 -10.673 1.00 1.00 H new ATOM 0 HG11 VAL A 42 0.114 -8.243 -12.593 1.00 1.00 H new ATOM 0 HG12 VAL A 42 1.859 -8.513 -12.372 1.00 1.00 H new ATOM 0 HG13 VAL A 42 0.692 -9.741 -11.827 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -1.343 -7.788 -10.619 1.00 1.00 H new ATOM 0 HG22 VAL A 42 -0.770 -9.290 -9.855 1.00 1.00 H new ATOM 0 HG23 VAL A 42 -0.639 -7.743 -8.985 1.00 1.00 H new ATOM 581 N GLY A 43 2.941 -8.114 -7.531 1.00 1.00 N ATOM 582 CA GLY A 43 3.257 -7.296 -6.366 1.00 1.00 C ATOM 583 C GLY A 43 3.962 -8.118 -5.293 1.00 1.00 C ATOM 584 O GLY A 43 4.979 -7.698 -4.744 1.00 1.00 O ATOM 0 H GLY A 43 3.389 -9.030 -7.545 1.00 1.00 H new ATOM 0 HA2 GLY A 43 3.892 -6.462 -6.665 1.00 1.00 H new ATOM 0 HA3 GLY A 43 2.341 -6.869 -5.958 1.00 1.00 H new ATOM 588 N ALA A 44 3.415 -9.292 -4.998 1.00 1.00 N ATOM 589 CA ALA A 44 4.002 -10.163 -3.986 1.00 1.00 C ATOM 590 C ALA A 44 5.494 -10.348 -4.239 1.00 1.00 C ATOM 591 O ALA A 44 6.258 -10.638 -3.318 1.00 1.00 O ATOM 592 CB ALA A 44 3.307 -11.525 -4.004 1.00 1.00 C ATOM 0 H ALA A 44 2.573 -9.660 -5.441 1.00 1.00 H new ATOM 0 HA ALA A 44 3.866 -9.698 -3.010 1.00 1.00 H new ATOM 0 HB1 ALA A 44 3.751 -12.170 -3.246 1.00 1.00 H new ATOM 0 HB2 ALA A 44 2.245 -11.395 -3.794 1.00 1.00 H new ATOM 0 HB3 ALA A 44 3.429 -11.983 -4.986 1.00 1.00 H new ATOM 598 N ALA A 45 5.901 -10.183 -5.492 1.00 1.00 N ATOM 599 CA ALA A 45 7.305 -10.339 -5.859 1.00 1.00 C ATOM 600 C ALA A 45 8.155 -9.235 -5.236 1.00 1.00 C ATOM 601 O ALA A 45 9.343 -9.433 -4.975 1.00 1.00 O ATOM 602 CB ALA A 45 7.452 -10.304 -7.380 1.00 1.00 C ATOM 0 H ALA A 45 5.284 -9.943 -6.268 1.00 1.00 H new ATOM 0 HA ALA A 45 7.653 -11.300 -5.481 1.00 1.00 H new ATOM 0 HB1 ALA A 45 8.502 -10.421 -7.647 1.00 1.00 H new ATOM 0 HB2 ALA A 45 6.873 -11.116 -7.820 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.085 -9.350 -7.759 1.00 1.00 H new ATOM 608 N ILE A 46 7.545 -8.074 -5.004 1.00 1.00 N ATOM 609 CA ILE A 46 8.261 -6.944 -4.415 1.00 1.00 C ATOM 610 C ILE A 46 7.759 -6.664 -3.001 1.00 1.00 C ATOM 611 O ILE A 46 8.481 -6.109 -2.173 1.00 1.00 O ATOM 612 CB ILE A 46 8.066 -5.698 -5.280 1.00 1.00 C ATOM 613 CG1 ILE A 46 6.573 -5.503 -5.563 1.00 1.00 C ATOM 614 CG2 ILE A 46 8.817 -5.870 -6.601 1.00 1.00 C ATOM 615 CD1 ILE A 46 6.342 -4.118 -6.167 1.00 1.00 C ATOM 0 H ILE A 46 6.563 -7.892 -5.213 1.00 1.00 H new ATOM 0 HA ILE A 46 9.320 -7.196 -4.368 1.00 1.00 H new ATOM 0 HB ILE A 46 8.454 -4.826 -4.754 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.219 -6.273 -6.248 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.001 -5.609 -4.641 1.00 1.00 H new ATOM 0 HG21 ILE A 46 8.678 -4.982 -7.217 1.00 1.00 H new ATOM 0 HG22 ILE A 46 9.879 -6.009 -6.400 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.430 -6.742 -7.129 1.00 1.00 H new ATOM 0 HD11 ILE A 46 5.279 -3.981 -6.368 1.00 1.00 H new ATOM 0 HD12 ILE A 46 6.680 -3.355 -5.466 1.00 1.00 H new ATOM 0 HD13 ILE A 46 6.901 -4.029 -7.098 1.00 1.00 H new ATOM 627 N ALA A 47 6.517 -7.048 -2.732 1.00 1.00 N ATOM 628 CA ALA A 47 5.926 -6.833 -1.418 1.00 1.00 C ATOM 629 C ALA A 47 6.653 -7.651 -0.354 1.00 1.00 C ATOM 630 O ALA A 47 6.591 -7.336 0.834 1.00 1.00 O ATOM 631 CB ALA A 47 4.447 -7.223 -1.441 1.00 1.00 C ATOM 0 H ALA A 47 5.902 -7.508 -3.403 1.00 1.00 H new ATOM 0 HA ALA A 47 6.022 -5.776 -1.170 1.00 1.00 H new ATOM 0 HB1 ALA A 47 4.012 -7.059 -0.455 1.00 1.00 H new ATOM 0 HB2 ALA A 47 3.921 -6.613 -2.175 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.352 -8.275 -1.709 1.00 1.00 H new ATOM 637 N ASN A 48 7.342 -8.702 -0.789 1.00 1.00 N ATOM 638 CA ASN A 48 8.077 -9.557 0.134 1.00 1.00 C ATOM 639 C ASN A 48 9.441 -8.953 0.422 1.00 1.00 C ATOM 640 O ASN A 48 10.155 -9.393 1.322 1.00 1.00 O ATOM 641 CB ASN A 48 8.249 -10.953 -0.468 1.00 1.00 C ATOM 642 CG ASN A 48 7.153 -11.882 0.043 1.00 1.00 C ATOM 643 OD1 ASN A 48 7.218 -12.356 1.179 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.146 -12.176 -0.733 1.00 1.00 N ATOM 0 H ASN A 48 7.406 -8.980 -1.768 1.00 1.00 H new ATOM 0 HA ASN A 48 7.515 -9.637 1.064 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.210 -10.896 -1.556 1.00 1.00 H new ATOM 0 HB3 ASN A 48 9.228 -11.353 -0.204 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.410 -12.799 -0.400 1.00 1.00 H new ATOM 0 HD22 ASN A 48 6.094 -11.783 -1.673 1.00 1.00 H new ATOM 651 N PHE A 49 9.793 -7.946 -0.364 1.00 1.00 N ATOM 652 CA PHE A 49 11.074 -7.280 -0.211 1.00 1.00 C ATOM 653 C PHE A 49 10.940 -6.047 0.680 1.00 1.00 C ATOM 654 O PHE A 49 11.828 -5.195 0.718 1.00 1.00 O ATOM 655 CB PHE A 49 11.601 -6.879 -1.585 1.00 1.00 C ATOM 656 CG PHE A 49 12.302 -8.059 -2.215 1.00 1.00 C ATOM 657 CD1 PHE A 49 11.559 -9.030 -2.898 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.693 -8.185 -2.115 1.00 1.00 C ATOM 659 CE1 PHE A 49 12.206 -10.126 -3.480 1.00 1.00 C ATOM 660 CE2 PHE A 49 14.340 -9.282 -2.697 1.00 1.00 C ATOM 661 CZ PHE A 49 13.597 -10.252 -3.378 1.00 1.00 C ATOM 0 H PHE A 49 9.209 -7.574 -1.113 1.00 1.00 H new ATOM 0 HA PHE A 49 11.775 -7.967 0.264 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.779 -6.548 -2.220 1.00 1.00 H new ATOM 0 HB3 PHE A 49 12.290 -6.039 -1.492 1.00 1.00 H new ATOM 0 HD1 PHE A 49 10.486 -8.933 -2.976 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.267 -7.436 -1.589 1.00 1.00 H new ATOM 0 HE1 PHE A 49 11.633 -10.874 -4.007 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.413 -9.379 -2.620 1.00 1.00 H new ATOM 0 HZ PHE A 49 14.096 -11.099 -3.825 1.00 1.00 H new ATOM 671 N LEU A 50 9.827 -5.966 1.401 1.00 1.00 N ATOM 672 CA LEU A 50 9.580 -4.841 2.299 1.00 1.00 C ATOM 673 C LEU A 50 8.899 -5.333 3.576 1.00 1.00 C ATOM 674 O LEU A 50 7.730 -5.718 3.559 1.00 1.00 O ATOM 675 CB LEU A 50 8.693 -3.793 1.608 1.00 1.00 C ATOM 676 CG LEU A 50 9.520 -2.900 0.664 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.974 -3.017 -0.761 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.403 -1.444 1.123 1.00 1.00 C ATOM 0 H LEU A 50 9.083 -6.663 1.382 1.00 1.00 H new ATOM 0 HA LEU A 50 10.535 -4.382 2.555 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.906 -4.294 1.043 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.202 -3.175 2.360 1.00 1.00 H new ATOM 0 HG LEU A 50 10.563 -3.217 0.684 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.560 -2.385 -1.428 1.00 1.00 H new ATOM 0 HD12 LEU A 50 9.040 -4.053 -1.092 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.932 -2.696 -0.779 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.986 -0.805 0.459 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.358 -1.137 1.096 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.782 -1.352 2.141 1.00 1.00 H new ATOM 690 N GLU A 51 9.648 -5.332 4.674 1.00 1.00 N ATOM 691 CA GLU A 51 9.125 -5.795 5.958 1.00 1.00 C ATOM 692 C GLU A 51 7.785 -5.121 6.286 1.00 1.00 C ATOM 693 O GLU A 51 7.510 -4.022 5.804 1.00 1.00 O ATOM 694 CB GLU A 51 10.134 -5.483 7.066 1.00 1.00 C ATOM 695 CG GLU A 51 11.125 -6.642 7.194 1.00 1.00 C ATOM 696 CD GLU A 51 10.446 -7.830 7.868 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.480 -7.893 9.085 1.00 1.00 O ATOM 698 OE2 GLU A 51 9.890 -8.650 7.156 1.00 1.00 O ATOM 0 H GLU A 51 10.618 -5.017 4.702 1.00 1.00 H new ATOM 0 HA GLU A 51 8.963 -6.871 5.892 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.666 -4.559 6.839 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.615 -5.328 8.012 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.490 -6.931 6.208 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.992 -6.329 7.776 1.00 1.00 H new ATOM 705 N PRO A 52 6.954 -5.739 7.104 1.00 1.00 N ATOM 706 CA PRO A 52 5.639 -5.146 7.491 1.00 1.00 C ATOM 707 C PRO A 52 5.788 -3.729 8.041 1.00 1.00 C ATOM 708 O PRO A 52 5.067 -2.817 7.638 1.00 1.00 O ATOM 709 CB PRO A 52 5.096 -6.070 8.582 1.00 1.00 C ATOM 710 CG PRO A 52 5.888 -7.334 8.521 1.00 1.00 C ATOM 711 CD PRO A 52 7.169 -7.056 7.734 1.00 1.00 C ATOM 0 HA PRO A 52 4.978 -5.068 6.627 1.00 1.00 H new ATOM 0 HB2 PRO A 52 5.189 -5.604 9.563 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.036 -6.271 8.424 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.127 -7.682 9.526 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.309 -8.123 8.040 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.040 -7.042 8.390 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.347 -7.827 6.985 1.00 1.00 H new ATOM 719 N GLN A 53 6.725 -3.555 8.969 1.00 1.00 N ATOM 720 CA GLN A 53 6.953 -2.247 9.574 1.00 1.00 C ATOM 721 C GLN A 53 7.353 -1.235 8.509 1.00 1.00 C ATOM 722 O GLN A 53 6.869 -0.104 8.496 1.00 1.00 O ATOM 723 CB GLN A 53 8.054 -2.345 10.633 1.00 1.00 C ATOM 724 CG GLN A 53 7.577 -1.688 11.929 1.00 1.00 C ATOM 725 CD GLN A 53 6.472 -2.525 12.563 1.00 1.00 C ATOM 726 OE1 GLN A 53 6.297 -3.693 12.214 1.00 1.00 O ATOM 727 NE2 GLN A 53 5.709 -1.994 13.480 1.00 1.00 N ATOM 0 H GLN A 53 7.334 -4.296 9.316 1.00 1.00 H new ATOM 0 HA GLN A 53 6.028 -1.916 10.047 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.307 -3.390 10.814 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.960 -1.855 10.277 1.00 1.00 H new ATOM 0 HG2 GLN A 53 8.411 -1.587 12.623 1.00 1.00 H new ATOM 0 HG3 GLN A 53 7.210 -0.683 11.723 1.00 1.00 H new ATOM 0 HE21 GLN A 53 5.855 -1.026 13.768 1.00 1.00 H new ATOM 0 HE22 GLN A 53 4.967 -2.547 13.909 1.00 1.00 H new ATOM 736 N ALA A 54 8.236 -1.654 7.612 1.00 1.00 N ATOM 737 CA ALA A 54 8.690 -0.782 6.538 1.00 1.00 C ATOM 738 C ALA A 54 7.509 -0.365 5.673 1.00 1.00 C ATOM 739 O ALA A 54 7.511 0.713 5.077 1.00 1.00 O ATOM 740 CB ALA A 54 9.731 -1.501 5.679 1.00 1.00 C ATOM 0 H ALA A 54 8.650 -2.586 7.607 1.00 1.00 H new ATOM 0 HA ALA A 54 9.145 0.106 6.976 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.063 -0.839 4.879 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.584 -1.779 6.298 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.289 -2.399 5.247 1.00 1.00 H new ATOM 746 N LEU A 55 6.502 -1.228 5.607 1.00 1.00 N ATOM 747 CA LEU A 55 5.315 -0.943 4.807 1.00 1.00 C ATOM 748 C LEU A 55 4.584 0.282 5.349 1.00 1.00 C ATOM 749 O LEU A 55 4.186 1.168 4.592 1.00 1.00 O ATOM 750 CB LEU A 55 4.373 -2.148 4.822 1.00 1.00 C ATOM 751 CG LEU A 55 3.965 -2.500 3.391 1.00 1.00 C ATOM 752 CD1 LEU A 55 5.161 -3.105 2.649 1.00 1.00 C ATOM 753 CD2 LEU A 55 2.821 -3.516 3.424 1.00 1.00 C ATOM 0 H LEU A 55 6.482 -2.124 6.093 1.00 1.00 H new ATOM 0 HA LEU A 55 5.631 -0.741 3.783 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.865 -3.001 5.291 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.488 -1.923 5.418 1.00 1.00 H new ATOM 0 HG LEU A 55 3.638 -1.597 2.875 1.00 1.00 H new ATOM 0 HD11 LEU A 55 4.868 -3.355 1.629 1.00 1.00 H new ATOM 0 HD12 LEU A 55 5.977 -2.383 2.625 1.00 1.00 H new ATOM 0 HD13 LEU A 55 5.490 -4.008 3.164 1.00 1.00 H new ATOM 0 HD21 LEU A 55 2.529 -3.768 2.405 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.150 -4.418 3.941 1.00 1.00 H new ATOM 0 HD23 LEU A 55 1.968 -3.087 3.950 1.00 1.00 H new ATOM 765 N GLU A 56 4.413 0.325 6.666 1.00 1.00 N ATOM 766 CA GLU A 56 3.730 1.445 7.303 1.00 1.00 C ATOM 767 C GLU A 56 4.507 2.738 7.086 1.00 1.00 C ATOM 768 O GLU A 56 3.920 3.810 6.935 1.00 1.00 O ATOM 769 CB GLU A 56 3.580 1.181 8.801 1.00 1.00 C ATOM 770 CG GLU A 56 2.477 2.074 9.369 1.00 1.00 C ATOM 771 CD GLU A 56 2.847 2.532 10.776 1.00 1.00 C ATOM 772 OE1 GLU A 56 3.528 1.787 11.461 1.00 1.00 O ATOM 773 OE2 GLU A 56 2.443 3.622 11.148 1.00 1.00 O ATOM 0 H GLU A 56 4.736 -0.398 7.310 1.00 1.00 H new ATOM 0 HA GLU A 56 2.743 1.549 6.853 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.338 0.132 8.974 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.522 1.379 9.312 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.330 2.940 8.723 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.533 1.530 9.392 1.00 1.00 H new ATOM 780 N ARG A 57 5.831 2.631 7.076 1.00 1.00 N ATOM 781 CA ARG A 57 6.683 3.796 6.883 1.00 1.00 C ATOM 782 C ARG A 57 6.377 4.483 5.554 1.00 1.00 C ATOM 783 O ARG A 57 6.279 5.708 5.491 1.00 1.00 O ATOM 784 CB ARG A 57 8.152 3.373 6.915 1.00 1.00 C ATOM 785 CG ARG A 57 8.838 3.993 8.135 1.00 1.00 C ATOM 786 CD ARG A 57 8.890 5.513 7.973 1.00 1.00 C ATOM 787 NE ARG A 57 8.232 6.162 9.102 1.00 1.00 N ATOM 788 CZ ARG A 57 8.470 7.436 9.394 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.312 8.126 8.675 1.00 1.00 N ATOM 790 NH2 ARG A 57 7.860 7.998 10.402 1.00 1.00 N ATOM 0 H ARG A 57 6.335 1.753 7.199 1.00 1.00 H new ATOM 0 HA ARG A 57 6.486 4.502 7.690 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.227 2.286 6.956 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.653 3.693 6.001 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.295 3.732 9.043 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.846 3.593 8.241 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.926 5.844 7.907 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.403 5.804 7.042 1.00 1.00 H new ATOM 0 HE ARG A 57 7.579 5.629 9.676 1.00 1.00 H new ATOM 0 HH11 ARG A 57 9.789 7.687 7.887 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.493 9.104 8.901 1.00 1.00 H new ATOM 0 HH21 ARG A 57 7.202 7.459 10.964 1.00 1.00 H new ATOM 0 HH22 ARG A 57 8.042 8.976 10.627 1.00 1.00 H new ATOM 804 N LEU A 58 6.226 3.691 4.497 1.00 1.00 N ATOM 805 CA LEU A 58 5.932 4.251 3.183 1.00 1.00 C ATOM 806 C LEU A 58 4.578 4.951 3.194 1.00 1.00 C ATOM 807 O LEU A 58 4.394 5.987 2.558 1.00 1.00 O ATOM 808 CB LEU A 58 5.933 3.148 2.131 1.00 1.00 C ATOM 809 CG LEU A 58 7.376 2.785 1.780 1.00 1.00 C ATOM 810 CD1 LEU A 58 7.372 1.557 0.886 1.00 1.00 C ATOM 811 CD2 LEU A 58 8.066 3.939 1.036 1.00 1.00 C ATOM 0 H LEU A 58 6.301 2.674 4.523 1.00 1.00 H new ATOM 0 HA LEU A 58 6.704 4.981 2.938 1.00 1.00 H new ATOM 0 HB2 LEU A 58 5.406 2.271 2.507 1.00 1.00 H new ATOM 0 HB3 LEU A 58 5.402 3.480 1.239 1.00 1.00 H new ATOM 0 HG LEU A 58 7.921 2.588 2.703 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.397 1.290 0.630 1.00 1.00 H new ATOM 0 HD12 LEU A 58 6.901 0.726 1.411 1.00 1.00 H new ATOM 0 HD13 LEU A 58 6.815 1.772 -0.026 1.00 1.00 H new ATOM 0 HD21 LEU A 58 9.091 3.657 0.797 1.00 1.00 H new ATOM 0 HD22 LEU A 58 7.525 4.153 0.114 1.00 1.00 H new ATOM 0 HD23 LEU A 58 8.072 4.827 1.668 1.00 1.00 H new ATOM 823 N SER A 59 3.633 4.376 3.923 1.00 1.00 N ATOM 824 CA SER A 59 2.302 4.960 4.017 1.00 1.00 C ATOM 825 C SER A 59 2.359 6.301 4.750 1.00 1.00 C ATOM 826 O SER A 59 1.728 7.275 4.339 1.00 1.00 O ATOM 827 CB SER A 59 1.365 4.008 4.760 1.00 1.00 C ATOM 828 OG SER A 59 0.444 3.439 3.837 1.00 1.00 O ATOM 0 H SER A 59 3.760 3.514 4.454 1.00 1.00 H new ATOM 0 HA SER A 59 1.923 5.125 3.008 1.00 1.00 H new ATOM 0 HB2 SER A 59 1.940 3.222 5.249 1.00 1.00 H new ATOM 0 HB3 SER A 59 0.829 4.545 5.543 1.00 1.00 H new ATOM 0 HG SER A 59 -0.157 2.827 4.310 1.00 1.00 H new ATOM 834 N ARG A 60 3.105 6.330 5.852 1.00 1.00 N ATOM 835 CA ARG A 60 3.229 7.540 6.663 1.00 1.00 C ATOM 836 C ARG A 60 3.975 8.659 5.933 1.00 1.00 C ATOM 837 O ARG A 60 3.544 9.811 5.956 1.00 1.00 O ATOM 838 CB ARG A 60 3.968 7.211 7.962 1.00 1.00 C ATOM 839 CG ARG A 60 3.886 8.403 8.920 1.00 1.00 C ATOM 840 CD ARG A 60 3.032 8.026 10.132 1.00 1.00 C ATOM 841 NE ARG A 60 1.689 7.651 9.706 1.00 1.00 N ATOM 842 CZ ARG A 60 0.728 7.415 10.593 1.00 1.00 C ATOM 843 NH1 ARG A 60 0.980 7.514 11.871 1.00 1.00 N ATOM 844 NH2 ARG A 60 -0.467 7.082 10.189 1.00 1.00 N ATOM 0 H ARG A 60 3.632 5.531 6.204 1.00 1.00 H new ATOM 0 HA ARG A 60 2.220 7.895 6.871 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.530 6.328 8.427 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.011 6.975 7.749 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.886 8.693 9.243 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.453 9.264 8.410 1.00 1.00 H new ATOM 0 HD2 ARG A 60 3.495 7.198 10.669 1.00 1.00 H new ATOM 0 HD3 ARG A 60 2.980 8.866 10.825 1.00 1.00 H new ATOM 0 HE ARG A 60 1.484 7.568 8.710 1.00 1.00 H new ATOM 0 HH11 ARG A 60 1.914 7.772 12.188 1.00 1.00 H new ATOM 0 HH12 ARG A 60 0.242 7.333 12.552 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -0.664 7.003 9.191 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -1.204 6.901 10.871 1.00 1.00 H new ATOM 858 N VAL A 61 5.100 8.327 5.304 1.00 1.00 N ATOM 859 CA VAL A 61 5.887 9.338 4.600 1.00 1.00 C ATOM 860 C VAL A 61 5.164 9.843 3.353 1.00 1.00 C ATOM 861 O VAL A 61 5.113 11.048 3.103 1.00 1.00 O ATOM 862 CB VAL A 61 7.257 8.772 4.212 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.103 7.802 3.044 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.181 9.919 3.802 1.00 1.00 C ATOM 0 H VAL A 61 5.483 7.382 5.266 1.00 1.00 H new ATOM 0 HA VAL A 61 6.023 10.180 5.278 1.00 1.00 H new ATOM 0 HB VAL A 61 7.684 8.243 5.064 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.080 7.402 2.772 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.444 6.984 3.335 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.675 8.326 2.190 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.157 9.519 3.525 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.750 10.447 2.951 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.296 10.610 4.637 1.00 1.00 H new ATOM 874 N ALA A 62 4.613 8.921 2.572 1.00 1.00 N ATOM 875 CA ALA A 62 3.904 9.292 1.352 1.00 1.00 C ATOM 876 C ALA A 62 2.914 10.421 1.622 1.00 1.00 C ATOM 877 O ALA A 62 2.682 11.273 0.765 1.00 1.00 O ATOM 878 CB ALA A 62 3.160 8.079 0.793 1.00 1.00 C ATOM 0 H ALA A 62 4.643 7.919 2.759 1.00 1.00 H new ATOM 0 HA ALA A 62 4.636 9.639 0.622 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.633 8.363 -0.118 1.00 1.00 H new ATOM 0 HB2 ALA A 62 3.874 7.287 0.567 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.442 7.721 1.531 1.00 1.00 H new ATOM 884 N LEU A 63 2.326 10.412 2.812 1.00 1.00 N ATOM 885 CA LEU A 63 1.351 11.432 3.182 1.00 1.00 C ATOM 886 C LEU A 63 2.013 12.798 3.340 1.00 1.00 C ATOM 887 O LEU A 63 1.350 13.830 3.228 1.00 1.00 O ATOM 888 CB LEU A 63 0.672 11.047 4.499 1.00 1.00 C ATOM 889 CG LEU A 63 -0.288 9.871 4.270 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.807 9.369 5.618 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.477 10.313 3.404 1.00 1.00 C ATOM 0 H LEU A 63 2.505 9.714 3.534 1.00 1.00 H new ATOM 0 HA LEU A 63 0.611 11.495 2.384 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.424 10.774 5.239 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.125 11.901 4.899 1.00 1.00 H new ATOM 0 HG LEU A 63 0.249 9.073 3.757 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.489 8.534 5.457 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.032 9.040 6.231 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.335 10.175 6.128 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.149 9.469 3.250 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.014 11.117 3.907 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.113 10.667 2.440 1.00 1.00 H new ATOM 903 N VAL A 64 3.315 12.803 3.615 1.00 1.00 N ATOM 904 CA VAL A 64 4.038 14.058 3.803 1.00 1.00 C ATOM 905 C VAL A 64 4.882 14.410 2.579 1.00 1.00 C ATOM 906 O VAL A 64 4.798 15.524 2.065 1.00 1.00 O ATOM 907 CB VAL A 64 4.940 13.958 5.034 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.957 15.303 5.762 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.398 12.882 5.978 1.00 1.00 C ATOM 0 H VAL A 64 3.885 11.963 3.712 1.00 1.00 H new ATOM 0 HA VAL A 64 3.301 14.849 3.945 1.00 1.00 H new ATOM 0 HB VAL A 64 5.951 13.696 4.722 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.599 15.234 6.640 1.00 1.00 H new ATOM 0 HG12 VAL A 64 5.339 16.074 5.093 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.945 15.561 6.073 1.00 1.00 H new ATOM 0 HG21 VAL A 64 5.041 12.810 6.855 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.387 13.146 6.289 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.379 11.922 5.463 1.00 1.00 H new ATOM 919 N ARG A 65 5.700 13.461 2.123 1.00 1.00 N ATOM 920 CA ARG A 65 6.558 13.702 0.963 1.00 1.00 C ATOM 921 C ARG A 65 6.476 12.553 -0.035 1.00 1.00 C ATOM 922 O ARG A 65 7.301 11.640 -0.018 1.00 1.00 O ATOM 923 CB ARG A 65 8.009 13.877 1.411 1.00 1.00 C ATOM 924 CG ARG A 65 8.129 15.119 2.298 1.00 1.00 C ATOM 925 CD ARG A 65 9.494 15.125 2.987 1.00 1.00 C ATOM 926 NE ARG A 65 9.605 16.275 3.877 1.00 1.00 N ATOM 927 CZ ARG A 65 10.550 16.333 4.811 1.00 1.00 C ATOM 928 NH1 ARG A 65 11.395 15.348 4.946 1.00 1.00 N ATOM 929 NH2 ARG A 65 10.632 17.376 5.590 1.00 1.00 N ATOM 0 H ARG A 65 5.786 12.531 2.532 1.00 1.00 H new ATOM 0 HA ARG A 65 6.209 14.612 0.475 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.340 12.994 1.958 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.659 13.975 0.541 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.009 16.021 1.697 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.334 15.125 3.043 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.627 14.203 3.554 1.00 1.00 H new ATOM 0 HD3 ARG A 65 10.287 15.157 2.239 1.00 1.00 H new ATOM 0 HE ARG A 65 8.947 17.048 3.781 1.00 1.00 H new ATOM 0 HH11 ARG A 65 11.331 14.534 4.335 1.00 1.00 H new ATOM 0 HH12 ARG A 65 12.120 15.392 5.662 1.00 1.00 H new ATOM 0 HH21 ARG A 65 9.972 18.146 5.482 1.00 1.00 H new ATOM 0 HH22 ARG A 65 11.356 17.422 6.307 1.00 1.00 H new ATOM 943 N ARG A 66 5.479 12.612 -0.909 1.00 1.00 N ATOM 944 CA ARG A 66 5.296 11.581 -1.922 1.00 1.00 C ATOM 945 C ARG A 66 6.515 11.497 -2.839 1.00 1.00 C ATOM 946 O ARG A 66 6.847 10.426 -3.349 1.00 1.00 O ATOM 947 CB ARG A 66 4.051 11.883 -2.756 1.00 1.00 C ATOM 948 CG ARG A 66 4.032 10.983 -3.993 1.00 1.00 C ATOM 949 CD ARG A 66 2.597 10.851 -4.507 1.00 1.00 C ATOM 950 NE ARG A 66 2.598 10.433 -5.904 1.00 1.00 N ATOM 951 CZ ARG A 66 2.807 9.167 -6.243 1.00 1.00 C ATOM 952 NH1 ARG A 66 3.022 8.270 -5.318 1.00 1.00 N ATOM 953 NH2 ARG A 66 2.798 8.816 -7.500 1.00 1.00 N ATOM 0 H ARG A 66 4.787 13.361 -0.937 1.00 1.00 H new ATOM 0 HA ARG A 66 5.173 10.624 -1.415 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.153 11.719 -2.160 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.047 12.931 -3.056 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.671 11.402 -4.770 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.433 10.000 -3.747 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.052 10.125 -3.903 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.078 11.804 -4.405 1.00 1.00 H new ATOM 0 HE ARG A 66 2.435 11.126 -6.634 1.00 1.00 H new ATOM 0 HH11 ARG A 66 3.029 8.543 -4.335 1.00 1.00 H new ATOM 0 HH12 ARG A 66 3.183 7.297 -5.579 1.00 1.00 H new ATOM 0 HH21 ARG A 66 2.630 9.515 -8.224 1.00 1.00 H new ATOM 0 HH22 ARG A 66 2.959 7.843 -7.759 1.00 1.00 H new ATOM 967 N ASP A 67 7.170 12.634 -3.057 1.00 1.00 N ATOM 968 CA ASP A 67 8.340 12.678 -3.931 1.00 1.00 C ATOM 969 C ASP A 67 9.478 11.828 -3.372 1.00 1.00 C ATOM 970 O ASP A 67 10.097 11.050 -4.099 1.00 1.00 O ATOM 971 CB ASP A 67 8.814 14.124 -4.094 1.00 1.00 C ATOM 972 CG ASP A 67 8.450 14.639 -5.482 1.00 1.00 C ATOM 973 OD1 ASP A 67 7.386 14.286 -5.963 1.00 1.00 O ATOM 974 OD2 ASP A 67 9.243 15.379 -6.043 1.00 1.00 O ATOM 0 H ASP A 67 6.914 13.531 -2.644 1.00 1.00 H new ATOM 0 HA ASP A 67 8.052 12.273 -4.901 1.00 1.00 H new ATOM 0 HB2 ASP A 67 8.355 14.754 -3.332 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.893 14.180 -3.948 1.00 1.00 H new ATOM 979 N ARG A 68 9.749 11.979 -2.083 1.00 1.00 N ATOM 980 CA ARG A 68 10.816 11.218 -1.444 1.00 1.00 C ATOM 981 C ARG A 68 10.464 9.734 -1.426 1.00 1.00 C ATOM 982 O ARG A 68 11.308 8.877 -1.691 1.00 1.00 O ATOM 983 CB ARG A 68 11.022 11.714 -0.012 1.00 1.00 C ATOM 984 CG ARG A 68 11.979 12.909 -0.006 1.00 1.00 C ATOM 985 CD ARG A 68 11.495 13.965 -1.002 1.00 1.00 C ATOM 986 NE ARG A 68 12.026 15.276 -0.643 1.00 1.00 N ATOM 987 CZ ARG A 68 11.417 16.392 -1.024 1.00 1.00 C ATOM 988 NH1 ARG A 68 10.341 16.330 -1.760 1.00 1.00 N ATOM 989 NH2 ARG A 68 11.895 17.552 -0.663 1.00 1.00 N ATOM 0 H ARG A 68 9.250 12.616 -1.462 1.00 1.00 H new ATOM 0 HA ARG A 68 11.736 11.359 -2.011 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.065 12.001 0.424 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.425 10.911 0.606 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.034 13.338 0.995 1.00 1.00 H new ATOM 0 HG3 ARG A 68 12.985 12.582 -0.268 1.00 1.00 H new ATOM 0 HD2 ARG A 68 11.814 13.699 -2.010 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.405 13.996 -1.010 1.00 1.00 H new ATOM 0 HE ARG A 68 12.881 15.336 -0.089 1.00 1.00 H new ATOM 0 HH11 ARG A 68 9.968 15.424 -2.043 1.00 1.00 H new ATOM 0 HH12 ARG A 68 9.873 17.188 -2.053 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.736 17.600 -0.088 1.00 1.00 H new ATOM 0 HH22 ARG A 68 11.427 18.410 -0.956 1.00 1.00 H new ATOM 1003 N ALA A 69 9.206 9.445 -1.111 1.00 1.00 N ATOM 1004 CA ALA A 69 8.730 8.065 -1.062 1.00 1.00 C ATOM 1005 C ALA A 69 8.841 7.407 -2.435 1.00 1.00 C ATOM 1006 O ALA A 69 8.921 6.182 -2.547 1.00 1.00 O ATOM 1007 CB ALA A 69 7.268 8.034 -0.618 1.00 1.00 C ATOM 0 H ALA A 69 8.499 10.145 -0.886 1.00 1.00 H new ATOM 0 HA ALA A 69 9.348 7.518 -0.350 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.920 7.002 -0.584 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.179 8.480 0.373 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.661 8.598 -1.326 1.00 1.00 H new ATOM 1013 N GLN A 70 8.832 8.225 -3.477 1.00 1.00 N ATOM 1014 CA GLN A 70 8.919 7.711 -4.838 1.00 1.00 C ATOM 1015 C GLN A 70 10.340 7.248 -5.162 1.00 1.00 C ATOM 1016 O GLN A 70 10.533 6.262 -5.872 1.00 1.00 O ATOM 1017 CB GLN A 70 8.493 8.799 -5.829 1.00 1.00 C ATOM 1018 CG GLN A 70 8.060 8.162 -7.151 1.00 1.00 C ATOM 1019 CD GLN A 70 8.622 8.960 -8.323 1.00 1.00 C ATOM 1020 OE1 GLN A 70 7.883 9.329 -9.237 1.00 1.00 O ATOM 1021 NE2 GLN A 70 9.894 9.252 -8.349 1.00 1.00 N ATOM 0 H GLN A 70 8.766 9.241 -3.409 1.00 1.00 H new ATOM 0 HA GLN A 70 8.252 6.853 -4.923 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.673 9.382 -5.411 1.00 1.00 H new ATOM 0 HB3 GLN A 70 9.319 9.489 -6.002 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.412 7.131 -7.200 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.972 8.131 -7.210 1.00 1.00 H new ATOM 0 HE21 GLN A 70 10.503 8.945 -7.591 1.00 1.00 H new ATOM 0 HE22 GLN A 70 10.279 9.787 -9.128 1.00 1.00 H new ATOM 1030 N ALA A 71 11.326 7.977 -4.650 1.00 1.00 N ATOM 1031 CA ALA A 71 12.727 7.649 -4.904 1.00 1.00 C ATOM 1032 C ALA A 71 13.162 6.389 -4.153 1.00 1.00 C ATOM 1033 O ALA A 71 13.831 5.525 -4.718 1.00 1.00 O ATOM 1034 CB ALA A 71 13.609 8.822 -4.489 1.00 1.00 C ATOM 0 H ALA A 71 11.183 8.796 -4.059 1.00 1.00 H new ATOM 0 HA ALA A 71 12.837 7.455 -5.971 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.654 8.577 -4.679 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.334 9.706 -5.064 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.471 9.023 -3.427 1.00 1.00 H new ATOM 1040 N VAL A 72 12.780 6.281 -2.883 1.00 1.00 N ATOM 1041 CA VAL A 72 13.144 5.112 -2.090 1.00 1.00 C ATOM 1042 C VAL A 72 12.563 3.858 -2.733 1.00 1.00 C ATOM 1043 O VAL A 72 13.226 2.825 -2.823 1.00 1.00 O ATOM 1044 CB VAL A 72 12.621 5.264 -0.660 1.00 1.00 C ATOM 1045 CG1 VAL A 72 13.319 6.442 0.021 1.00 1.00 C ATOM 1046 CG2 VAL A 72 11.124 5.525 -0.698 1.00 1.00 C ATOM 0 H VAL A 72 12.226 6.979 -2.387 1.00 1.00 H new ATOM 0 HA VAL A 72 14.230 5.025 -2.055 1.00 1.00 H new ATOM 0 HB VAL A 72 12.823 4.350 -0.102 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.944 6.548 1.039 1.00 1.00 H new ATOM 0 HG12 VAL A 72 14.394 6.263 0.047 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.117 7.356 -0.537 1.00 1.00 H new ATOM 0 HG21 VAL A 72 10.748 5.634 0.319 1.00 1.00 H new ATOM 0 HG22 VAL A 72 10.928 6.440 -1.257 1.00 1.00 H new ATOM 0 HG23 VAL A 72 10.621 4.689 -1.183 1.00 1.00 H new ATOM 1056 N GLU A 73 11.328 3.968 -3.205 1.00 1.00 N ATOM 1057 CA GLU A 73 10.675 2.850 -3.871 1.00 1.00 C ATOM 1058 C GLU A 73 11.447 2.500 -5.143 1.00 1.00 C ATOM 1059 O GLU A 73 11.521 1.337 -5.539 1.00 1.00 O ATOM 1060 CB GLU A 73 9.209 3.211 -4.199 1.00 1.00 C ATOM 1061 CG GLU A 73 8.997 3.341 -5.718 1.00 1.00 C ATOM 1062 CD GLU A 73 7.574 3.795 -6.024 1.00 1.00 C ATOM 1063 OE1 GLU A 73 6.948 4.385 -5.157 1.00 1.00 O ATOM 1064 OE2 GLU A 73 7.136 3.553 -7.136 1.00 1.00 O ATOM 0 H GLU A 73 10.762 4.814 -3.140 1.00 1.00 H new ATOM 0 HA GLU A 73 10.670 1.982 -3.212 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.545 2.444 -3.800 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.944 4.148 -3.710 1.00 1.00 H new ATOM 0 HG2 GLU A 73 9.709 4.056 -6.130 1.00 1.00 H new ATOM 0 HG3 GLU A 73 9.191 2.383 -6.201 1.00 1.00 H new ATOM 1071 N THR A 74 12.011 3.527 -5.780 1.00 1.00 N ATOM 1072 CA THR A 74 12.767 3.330 -7.013 1.00 1.00 C ATOM 1073 C THR A 74 14.115 2.700 -6.707 1.00 1.00 C ATOM 1074 O THR A 74 14.618 1.874 -7.470 1.00 1.00 O ATOM 1075 CB THR A 74 12.971 4.672 -7.720 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.734 5.113 -8.264 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.994 4.508 -8.845 1.00 1.00 C ATOM 0 H THR A 74 11.958 4.495 -5.464 1.00 1.00 H new ATOM 0 HA THR A 74 12.205 2.662 -7.666 1.00 1.00 H new ATOM 0 HB THR A 74 13.336 5.408 -7.003 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.205 5.548 -7.563 1.00 1.00 H new ATOM 0 HG21 THR A 74 14.138 5.464 -9.348 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.943 4.170 -8.428 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.631 3.772 -9.562 1.00 1.00 H new ATOM 1085 N TYR A 75 14.691 3.091 -5.580 1.00 1.00 N ATOM 1086 CA TYR A 75 15.979 2.556 -5.167 1.00 1.00 C ATOM 1087 C TYR A 75 15.929 1.032 -5.133 1.00 1.00 C ATOM 1088 O TYR A 75 16.830 0.358 -5.632 1.00 1.00 O ATOM 1089 CB TYR A 75 16.332 3.102 -3.781 1.00 1.00 C ATOM 1090 CG TYR A 75 17.620 2.488 -3.300 1.00 1.00 C ATOM 1091 CD1 TYR A 75 18.845 3.075 -3.639 1.00 1.00 C ATOM 1092 CD2 TYR A 75 17.592 1.332 -2.508 1.00 1.00 C ATOM 1093 CE1 TYR A 75 20.042 2.506 -3.189 1.00 1.00 C ATOM 1094 CE2 TYR A 75 18.790 0.764 -2.058 1.00 1.00 C ATOM 1095 CZ TYR A 75 20.015 1.351 -2.398 1.00 1.00 C ATOM 1096 OH TYR A 75 21.195 0.791 -1.953 1.00 1.00 O ATOM 0 H TYR A 75 14.289 3.774 -4.938 1.00 1.00 H new ATOM 0 HA TYR A 75 16.743 2.861 -5.882 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.429 4.187 -3.822 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.529 2.881 -3.078 1.00 1.00 H new ATOM 0 HD1 TYR A 75 18.866 3.967 -4.248 1.00 1.00 H new ATOM 0 HD2 TYR A 75 16.647 0.880 -2.245 1.00 1.00 H new ATOM 0 HE1 TYR A 75 20.987 2.958 -3.452 1.00 1.00 H new ATOM 0 HE2 TYR A 75 18.769 -0.127 -1.448 1.00 1.00 H new ATOM 0 HH TYR A 75 20.997 -0.005 -1.416 1.00 1.00 H new ATOM 1106 N LEU A 76 14.865 0.498 -4.542 1.00 1.00 N ATOM 1107 CA LEU A 76 14.695 -0.950 -4.440 1.00 1.00 C ATOM 1108 C LEU A 76 14.428 -1.576 -5.807 1.00 1.00 C ATOM 1109 O LEU A 76 15.020 -2.597 -6.155 1.00 1.00 O ATOM 1110 CB LEU A 76 13.527 -1.264 -3.506 1.00 1.00 C ATOM 1111 CG LEU A 76 13.520 -2.757 -3.149 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.767 -3.121 -2.334 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.274 -3.065 -2.322 1.00 1.00 C ATOM 0 H LEU A 76 14.109 1.043 -4.127 1.00 1.00 H new ATOM 0 HA LEU A 76 15.619 -1.371 -4.043 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.607 -0.666 -2.598 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.586 -0.993 -3.985 1.00 1.00 H new ATOM 0 HG LEU A 76 13.518 -3.341 -4.069 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.745 -4.183 -2.090 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.660 -2.901 -2.918 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.783 -2.538 -1.413 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.261 -4.124 -2.064 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.287 -2.469 -1.409 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.383 -2.822 -2.902 1.00 1.00 H new ATOM 1125 N LYS A 77 13.534 -0.965 -6.575 1.00 1.00 N ATOM 1126 CA LYS A 77 13.199 -1.482 -7.893 1.00 1.00 C ATOM 1127 C LYS A 77 14.456 -1.560 -8.752 1.00 1.00 C ATOM 1128 O LYS A 77 14.599 -2.463 -9.576 1.00 1.00 O ATOM 1129 CB LYS A 77 12.138 -0.575 -8.544 1.00 1.00 C ATOM 1130 CG LYS A 77 12.479 -0.294 -10.012 1.00 1.00 C ATOM 1131 CD LYS A 77 11.303 0.424 -10.680 1.00 1.00 C ATOM 1132 CE LYS A 77 11.151 1.835 -10.105 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.350 2.670 -11.044 1.00 1.00 N ATOM 0 H LYS A 77 13.032 -0.118 -6.309 1.00 1.00 H new ATOM 0 HA LYS A 77 12.787 -2.487 -7.803 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.159 -1.050 -8.479 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.073 0.365 -7.996 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.378 0.319 -10.077 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.692 -1.228 -10.532 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.464 0.477 -11.757 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.385 -0.142 -10.523 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.662 1.792 -9.132 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.132 2.283 -9.949 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.218 3.618 -10.639 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 10.851 2.749 -11.952 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.422 2.227 -11.198 1.00 1.00 H new ATOM 1147 N LYS A 78 15.363 -0.615 -8.549 1.00 1.00 N ATOM 1148 CA LYS A 78 16.606 -0.591 -9.305 1.00 1.00 C ATOM 1149 C LYS A 78 17.452 -1.816 -8.965 1.00 1.00 C ATOM 1150 O LYS A 78 18.023 -2.451 -9.849 1.00 1.00 O ATOM 1151 CB LYS A 78 17.386 0.685 -8.983 1.00 1.00 C ATOM 1152 CG LYS A 78 16.975 1.798 -9.951 1.00 1.00 C ATOM 1153 CD LYS A 78 17.821 1.708 -11.223 1.00 1.00 C ATOM 1154 CE LYS A 78 19.081 2.560 -11.060 1.00 1.00 C ATOM 1155 NZ LYS A 78 18.770 3.979 -11.396 1.00 1.00 N ATOM 0 H LYS A 78 15.262 0.141 -7.871 1.00 1.00 H new ATOM 0 HA LYS A 78 16.372 -0.608 -10.369 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.191 0.993 -7.956 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.457 0.498 -9.062 1.00 1.00 H new ATOM 0 HG2 LYS A 78 15.917 1.707 -10.198 1.00 1.00 H new ATOM 0 HG3 LYS A 78 17.110 2.772 -9.480 1.00 1.00 H new ATOM 0 HD2 LYS A 78 18.093 0.671 -11.419 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.244 2.053 -12.081 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.450 2.490 -10.037 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.872 2.186 -11.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.627 4.558 -11.285 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.437 4.038 -12.380 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.029 4.332 -10.758 1.00 1.00 H new ATOM 1169 N LEU A 79 17.513 -2.146 -7.679 1.00 1.00 N ATOM 1170 CA LEU A 79 18.280 -3.308 -7.234 1.00 1.00 C ATOM 1171 C LEU A 79 17.610 -4.595 -7.705 1.00 1.00 C ATOM 1172 O LEU A 79 18.268 -5.493 -8.231 1.00 1.00 O ATOM 1173 CB LEU A 79 18.389 -3.319 -5.705 1.00 1.00 C ATOM 1174 CG LEU A 79 19.013 -2.006 -5.210 1.00 1.00 C ATOM 1175 CD1 LEU A 79 18.701 -1.822 -3.724 1.00 1.00 C ATOM 1176 CD2 LEU A 79 20.535 -2.038 -5.396 1.00 1.00 C ATOM 0 H LEU A 79 17.046 -1.632 -6.932 1.00 1.00 H new ATOM 0 HA LEU A 79 19.280 -3.245 -7.664 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.401 -3.450 -5.263 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.997 -4.164 -5.382 1.00 1.00 H new ATOM 0 HG LEU A 79 18.596 -1.181 -5.787 1.00 1.00 H new ATOM 0 HD11 LEU A 79 19.144 -0.890 -3.372 1.00 1.00 H new ATOM 0 HD12 LEU A 79 17.621 -1.788 -3.581 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.116 -2.657 -3.159 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.965 -1.101 -5.041 1.00 1.00 H new ATOM 0 HD22 LEU A 79 20.954 -2.868 -4.827 1.00 1.00 H new ATOM 0 HD23 LEU A 79 20.770 -2.168 -6.452 1.00 1.00 H new ATOM 1188 N ILE A 80 16.297 -4.680 -7.509 1.00 1.00 N ATOM 1189 CA ILE A 80 15.546 -5.865 -7.915 1.00 1.00 C ATOM 1190 C ILE A 80 15.527 -5.993 -9.433 1.00 1.00 C ATOM 1191 O ILE A 80 15.725 -7.079 -9.977 1.00 1.00 O ATOM 1192 CB ILE A 80 14.112 -5.784 -7.391 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.081 -6.212 -5.920 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.215 -6.715 -8.213 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.714 -5.878 -5.314 1.00 1.00 C ATOM 0 H ILE A 80 15.734 -3.949 -7.075 1.00 1.00 H new ATOM 0 HA ILE A 80 16.036 -6.742 -7.493 1.00 1.00 H new ATOM 0 HB ILE A 80 13.750 -4.760 -7.479 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.274 -7.282 -5.838 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.869 -5.702 -5.366 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.192 -6.658 -7.840 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.237 -6.411 -9.260 1.00 1.00 H new ATOM 0 HG23 ILE A 80 13.576 -7.740 -8.125 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.695 -6.184 -4.268 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.539 -4.804 -5.382 1.00 1.00 H new ATOM 0 HD13 ILE A 80 11.934 -6.408 -5.861 1.00 1.00 H new ATOM 1207 N ALA A 81 15.286 -4.877 -10.112 1.00 1.00 N ATOM 1208 CA ALA A 81 15.244 -4.878 -11.570 1.00 1.00 C ATOM 1209 C ALA A 81 16.614 -5.226 -12.140 1.00 1.00 C ATOM 1210 O ALA A 81 16.719 -5.917 -13.153 1.00 1.00 O ATOM 1211 CB ALA A 81 14.809 -3.503 -12.081 1.00 1.00 C ATOM 0 H ALA A 81 15.118 -3.968 -9.681 1.00 1.00 H new ATOM 0 HA ALA A 81 14.524 -5.629 -11.896 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.780 -3.512 -13.171 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.818 -3.268 -11.694 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.519 -2.748 -11.743 1.00 1.00 H new ATOM 1217 N THR A 82 17.662 -4.740 -11.480 1.00 1.00 N ATOM 1218 CA THR A 82 19.021 -5.007 -11.930 1.00 1.00 C ATOM 1219 C THR A 82 19.468 -6.399 -11.499 1.00 1.00 C ATOM 1220 O THR A 82 19.422 -7.346 -12.283 1.00 1.00 O ATOM 1221 CB THR A 82 19.977 -3.961 -11.354 1.00 1.00 C ATOM 1222 OG1 THR A 82 19.858 -3.942 -9.939 1.00 1.00 O ATOM 1223 CG2 THR A 82 19.629 -2.582 -11.916 1.00 1.00 C ATOM 0 H THR A 82 17.596 -4.165 -10.640 1.00 1.00 H new ATOM 0 HA THR A 82 19.038 -4.955 -13.019 1.00 1.00 H new ATOM 0 HB THR A 82 21.001 -4.214 -11.630 1.00 1.00 H new ATOM 0 HG1 THR A 82 19.521 -3.068 -9.651 1.00 1.00 H new ATOM 0 HG21 THR A 82 20.311 -1.838 -11.504 1.00 1.00 H new ATOM 0 HG22 THR A 82 19.722 -2.598 -13.002 1.00 1.00 H new ATOM 0 HG23 THR A 82 18.605 -2.326 -11.643 1.00 1.00 H new ATOM 1231 N ASN A 83 19.908 -6.512 -10.247 1.00 1.00 N ATOM 1232 CA ASN A 83 20.372 -7.794 -9.720 1.00 1.00 C ATOM 1233 C ASN A 83 21.064 -7.602 -8.371 1.00 1.00 C ATOM 1234 O ASN A 83 21.149 -8.531 -7.568 1.00 1.00 O ATOM 1235 CB ASN A 83 21.361 -8.441 -10.699 1.00 1.00 C ATOM 1236 CG ASN A 83 22.160 -7.359 -11.422 1.00 1.00 C ATOM 1237 OD1 ASN A 83 22.703 -7.600 -12.500 1.00 1.00 O ATOM 1238 ND2 ASN A 83 22.257 -6.171 -10.891 1.00 1.00 N ATOM 0 H ASN A 83 19.953 -5.739 -9.584 1.00 1.00 H new ATOM 0 HA ASN A 83 19.504 -8.441 -9.591 1.00 1.00 H new ATOM 0 HB2 ASN A 83 22.037 -9.106 -10.161 1.00 1.00 H new ATOM 0 HB3 ASN A 83 20.822 -9.052 -11.423 1.00 1.00 H new ATOM 0 HD21 ASN A 83 22.784 -5.440 -11.369 1.00 1.00 H new ATOM 0 HD22 ASN A 83 21.806 -5.973 -9.998 1.00 1.00 H new ATOM 1245 N ASN A 84 21.569 -6.394 -8.139 1.00 1.00 N ATOM 1246 CA ASN A 84 22.267 -6.093 -6.892 1.00 1.00 C ATOM 1247 C ASN A 84 21.480 -6.599 -5.686 1.00 1.00 C ATOM 1248 O ASN A 84 22.065 -6.978 -4.672 1.00 1.00 O ATOM 1249 CB ASN A 84 22.477 -4.585 -6.765 1.00 1.00 C ATOM 1250 CG ASN A 84 23.672 -4.149 -7.607 1.00 1.00 C ATOM 1251 OD1 ASN A 84 24.694 -3.727 -7.065 1.00 1.00 O ATOM 1252 ND2 ASN A 84 23.605 -4.223 -8.908 1.00 1.00 N ATOM 0 H ASN A 84 21.509 -5.613 -8.792 1.00 1.00 H new ATOM 0 HA ASN A 84 23.232 -6.600 -6.914 1.00 1.00 H new ATOM 0 HB2 ASN A 84 21.581 -4.057 -7.090 1.00 1.00 H new ATOM 0 HB3 ASN A 84 22.642 -4.320 -5.721 1.00 1.00 H new ATOM 0 HD21 ASN A 84 24.400 -3.931 -9.477 1.00 1.00 H new ATOM 0 HD22 ASN A 84 22.758 -4.573 -9.356 1.00 1.00 H new ATOM 1259 N VAL A 85 20.155 -6.595 -5.801 1.00 1.00 N ATOM 1260 CA VAL A 85 19.300 -7.051 -4.709 1.00 1.00 C ATOM 1261 C VAL A 85 19.895 -8.275 -4.026 1.00 1.00 C ATOM 1262 O VAL A 85 20.679 -9.012 -4.625 1.00 1.00 O ATOM 1263 CB VAL A 85 17.913 -7.401 -5.243 1.00 1.00 C ATOM 1264 CG1 VAL A 85 18.035 -8.477 -6.324 1.00 1.00 C ATOM 1265 CG2 VAL A 85 17.045 -7.929 -4.098 1.00 1.00 C ATOM 0 H VAL A 85 19.653 -6.284 -6.632 1.00 1.00 H new ATOM 0 HA VAL A 85 19.224 -6.243 -3.981 1.00 1.00 H new ATOM 0 HB VAL A 85 17.454 -6.509 -5.669 1.00 1.00 H new ATOM 0 HG11 VAL A 85 17.044 -8.725 -6.704 1.00 1.00 H new ATOM 0 HG12 VAL A 85 18.653 -8.104 -7.140 1.00 1.00 H new ATOM 0 HG13 VAL A 85 18.495 -9.369 -5.899 1.00 1.00 H new ATOM 0 HG21 VAL A 85 16.054 -8.179 -4.478 1.00 1.00 H new ATOM 0 HG22 VAL A 85 17.506 -8.820 -3.673 1.00 1.00 H new ATOM 0 HG23 VAL A 85 16.955 -7.164 -3.327 1.00 1.00 H new ATOM 1275 N THR A 86 19.514 -8.488 -2.773 1.00 1.00 N ATOM 1276 CA THR A 86 20.011 -9.631 -2.018 1.00 1.00 C ATOM 1277 C THR A 86 19.372 -9.677 -0.634 1.00 1.00 C ATOM 1278 O THR A 86 19.751 -10.490 0.209 1.00 1.00 O ATOM 1279 CB THR A 86 21.533 -9.550 -1.876 1.00 1.00 C ATOM 1280 OG1 THR A 86 22.002 -8.348 -2.469 1.00 1.00 O ATOM 1281 CG2 THR A 86 22.179 -10.750 -2.572 1.00 1.00 C ATOM 0 H THR A 86 18.867 -7.889 -2.261 1.00 1.00 H new ATOM 0 HA THR A 86 19.747 -10.539 -2.560 1.00 1.00 H new ATOM 0 HB THR A 86 21.798 -9.560 -0.819 1.00 1.00 H new ATOM 0 HG1 THR A 86 21.990 -8.438 -3.445 1.00 1.00 H new ATOM 0 HG21 THR A 86 23.263 -10.690 -2.470 1.00 1.00 H new ATOM 0 HG22 THR A 86 21.822 -11.672 -2.114 1.00 1.00 H new ATOM 0 HG23 THR A 86 21.914 -10.744 -3.629 1.00 1.00 H new ATOM 1289 N HIS A 87 18.402 -8.796 -0.405 1.00 1.00 N ATOM 1290 CA HIS A 87 17.721 -8.747 0.885 1.00 1.00 C ATOM 1291 C HIS A 87 16.419 -7.960 0.778 1.00 1.00 C ATOM 1292 O HIS A 87 16.173 -7.281 -0.219 1.00 1.00 O ATOM 1293 CB HIS A 87 18.628 -8.092 1.928 1.00 1.00 C ATOM 1294 CG HIS A 87 19.107 -6.762 1.412 1.00 1.00 C ATOM 1295 ND1 HIS A 87 20.454 -6.470 1.261 1.00 1.00 N ATOM 1296 CD2 HIS A 87 18.432 -5.638 1.001 1.00 1.00 C ATOM 1297 CE1 HIS A 87 20.547 -5.217 0.781 1.00 1.00 C ATOM 1298 NE2 HIS A 87 19.344 -4.665 0.605 1.00 1.00 N ATOM 0 H HIS A 87 18.073 -8.113 -1.088 1.00 1.00 H new ATOM 0 HA HIS A 87 17.490 -9.768 1.190 1.00 1.00 H new ATOM 0 HB2 HIS A 87 18.086 -7.957 2.864 1.00 1.00 H new ATOM 0 HB3 HIS A 87 19.479 -8.739 2.143 1.00 1.00 H new ATOM 0 HD2 HIS A 87 17.358 -5.527 0.987 1.00 1.00 H new ATOM 0 HE1 HIS A 87 21.480 -4.718 0.564 1.00 1.00 H new ATOM 0 HE2 HIS A 87 19.138 -3.729 0.255 1.00 1.00 H new ATOM 1306 N LYS A 88 15.590 -8.054 1.812 1.00 1.00 N ATOM 1307 CA LYS A 88 14.314 -7.346 1.827 1.00 1.00 C ATOM 1308 C LYS A 88 14.455 -6.007 2.544 1.00 1.00 C ATOM 1309 O LYS A 88 14.775 -5.959 3.733 1.00 1.00 O ATOM 1310 CB LYS A 88 13.255 -8.193 2.535 1.00 1.00 C ATOM 1311 CG LYS A 88 13.671 -8.422 3.989 1.00 1.00 C ATOM 1312 CD LYS A 88 13.061 -9.730 4.496 1.00 1.00 C ATOM 1313 CE LYS A 88 14.012 -10.889 4.193 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.261 -12.175 4.254 1.00 1.00 N ATOM 0 H LYS A 88 15.777 -8.610 2.646 1.00 1.00 H new ATOM 0 HA LYS A 88 14.007 -7.166 0.797 1.00 1.00 H new ATOM 0 HB2 LYS A 88 12.288 -7.691 2.497 1.00 1.00 H new ATOM 0 HB3 LYS A 88 13.138 -9.149 2.024 1.00 1.00 H new ATOM 0 HG2 LYS A 88 14.758 -8.462 4.065 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.338 -7.589 4.609 1.00 1.00 H new ATOM 0 HD2 LYS A 88 12.879 -9.667 5.569 1.00 1.00 H new ATOM 0 HD3 LYS A 88 12.097 -9.903 4.018 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.456 -10.761 3.206 1.00 1.00 H new ATOM 0 HE3 LYS A 88 14.831 -10.899 4.912 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 13.906 -12.964 4.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.858 -12.297 5.205 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 12.494 -12.163 3.552 1.00 1.00 H new ATOM 1328 N ILE A 89 14.218 -4.922 1.815 1.00 1.00 N ATOM 1329 CA ILE A 89 14.324 -3.588 2.396 1.00 1.00 C ATOM 1330 C ILE A 89 13.661 -3.555 3.770 1.00 1.00 C ATOM 1331 O ILE A 89 12.826 -4.405 4.087 1.00 1.00 O ATOM 1332 CB ILE A 89 13.688 -2.553 1.442 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.776 -1.567 1.000 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.546 -1.785 2.129 1.00 1.00 C ATOM 1335 CD1 ILE A 89 14.181 -0.480 0.100 1.00 1.00 C ATOM 0 H ILE A 89 13.954 -4.938 0.830 1.00 1.00 H new ATOM 0 HA ILE A 89 15.376 -3.333 2.528 1.00 1.00 H new ATOM 0 HB ILE A 89 13.268 -3.076 0.583 1.00 1.00 H new ATOM 0 HG12 ILE A 89 15.238 -1.110 1.875 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.563 -2.100 0.466 1.00 1.00 H new ATOM 0 HG21 ILE A 89 12.120 -1.065 1.430 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.773 -2.487 2.443 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.934 -1.259 3.001 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.967 0.211 -0.204 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.740 -0.941 -0.784 1.00 1.00 H new ATOM 0 HD13 ILE A 89 13.411 0.064 0.647 1.00 1.00 H new ATOM 1347 N THR A 90 14.032 -2.566 4.578 1.00 1.00 N ATOM 1348 CA THR A 90 13.462 -2.425 5.914 1.00 1.00 C ATOM 1349 C THR A 90 13.032 -0.982 6.155 1.00 1.00 C ATOM 1350 O THR A 90 13.309 -0.099 5.343 1.00 1.00 O ATOM 1351 CB THR A 90 14.495 -2.835 6.966 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.608 -1.956 6.903 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.957 -4.269 6.698 1.00 1.00 C ATOM 0 H THR A 90 14.721 -1.854 4.333 1.00 1.00 H new ATOM 0 HA THR A 90 12.589 -3.073 5.992 1.00 1.00 H new ATOM 0 HB THR A 90 14.046 -2.780 7.958 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.416 -2.466 6.683 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.693 -4.560 7.448 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.101 -4.942 6.748 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.406 -4.327 5.707 1.00 1.00 H new ATOM 1361 N GLU A 91 12.360 -0.745 7.277 1.00 1.00 N ATOM 1362 CA GLU A 91 11.907 0.601 7.615 1.00 1.00 C ATOM 1363 C GLU A 91 13.102 1.528 7.790 1.00 1.00 C ATOM 1364 O GLU A 91 13.021 2.727 7.526 1.00 1.00 O ATOM 1365 CB GLU A 91 11.086 0.569 8.906 1.00 1.00 C ATOM 1366 CG GLU A 91 12.026 0.440 10.106 1.00 1.00 C ATOM 1367 CD GLU A 91 11.249 -0.049 11.323 1.00 1.00 C ATOM 1368 OE1 GLU A 91 10.035 0.081 11.318 1.00 1.00 O ATOM 1369 OE2 GLU A 91 11.877 -0.549 12.242 1.00 1.00 O ATOM 0 H GLU A 91 12.118 -1.460 7.963 1.00 1.00 H new ATOM 0 HA GLU A 91 11.283 0.974 6.803 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.490 1.478 8.993 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.389 -0.268 8.885 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.832 -0.256 9.874 1.00 1.00 H new ATOM 0 HG3 GLU A 91 12.489 1.403 10.322 1.00 1.00 H new ATOM 1376 N ALA A 92 14.209 0.954 8.237 1.00 1.00 N ATOM 1377 CA ALA A 92 15.431 1.718 8.450 1.00 1.00 C ATOM 1378 C ALA A 92 16.019 2.167 7.118 1.00 1.00 C ATOM 1379 O ALA A 92 16.652 3.219 7.027 1.00 1.00 O ATOM 1380 CB ALA A 92 16.457 0.865 9.200 1.00 1.00 C ATOM 0 H ALA A 92 14.287 -0.038 8.460 1.00 1.00 H new ATOM 0 HA ALA A 92 15.188 2.599 9.044 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.368 1.444 9.355 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.047 0.568 10.165 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.688 -0.025 8.614 1.00 1.00 H new ATOM 1386 N GLU A 93 15.821 1.355 6.087 1.00 1.00 N ATOM 1387 CA GLU A 93 16.348 1.675 4.767 1.00 1.00 C ATOM 1388 C GLU A 93 15.537 2.782 4.097 1.00 1.00 C ATOM 1389 O GLU A 93 16.100 3.669 3.458 1.00 1.00 O ATOM 1390 CB GLU A 93 16.328 0.430 3.881 1.00 1.00 C ATOM 1391 CG GLU A 93 17.624 -0.362 4.075 1.00 1.00 C ATOM 1392 CD GLU A 93 17.781 -0.759 5.540 1.00 1.00 C ATOM 1393 OE1 GLU A 93 17.879 0.130 6.368 1.00 1.00 O ATOM 1394 OE2 GLU A 93 17.798 -1.950 5.810 1.00 1.00 O ATOM 0 H GLU A 93 15.304 0.477 6.138 1.00 1.00 H new ATOM 0 HA GLU A 93 17.372 2.025 4.894 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.469 -0.193 4.131 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.219 0.718 2.835 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.612 -1.253 3.448 1.00 1.00 H new ATOM 0 HG3 GLU A 93 18.477 0.238 3.759 1.00 1.00 H new ATOM 1401 N ILE A 94 14.215 2.723 4.232 1.00 1.00 N ATOM 1402 CA ILE A 94 13.356 3.728 3.609 1.00 1.00 C ATOM 1403 C ILE A 94 13.628 5.109 4.194 1.00 1.00 C ATOM 1404 O ILE A 94 13.790 6.079 3.456 1.00 1.00 O ATOM 1405 CB ILE A 94 11.874 3.341 3.814 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.298 2.747 2.522 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.026 4.564 4.202 1.00 1.00 C ATOM 1408 CD1 ILE A 94 11.945 1.393 2.235 1.00 1.00 C ATOM 0 H ILE A 94 13.720 2.003 4.758 1.00 1.00 H new ATOM 0 HA ILE A 94 13.574 3.764 2.542 1.00 1.00 H new ATOM 0 HB ILE A 94 11.838 2.607 4.619 1.00 1.00 H new ATOM 0 HG12 ILE A 94 10.218 2.631 2.615 1.00 1.00 H new ATOM 0 HG13 ILE A 94 11.475 3.427 1.689 1.00 1.00 H new ATOM 0 HG21 ILE A 94 9.989 4.259 4.339 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.405 4.989 5.131 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.083 5.312 3.411 1.00 1.00 H new ATOM 0 HD11 ILE A 94 11.530 0.979 1.316 1.00 1.00 H new ATOM 0 HD12 ILE A 94 13.022 1.521 2.122 1.00 1.00 H new ATOM 0 HD13 ILE A 94 11.746 0.712 3.062 1.00 1.00 H new ATOM 1420 N VAL A 95 13.692 5.194 5.516 1.00 1.00 N ATOM 1421 CA VAL A 95 13.959 6.464 6.175 1.00 1.00 C ATOM 1422 C VAL A 95 15.392 6.910 5.913 1.00 1.00 C ATOM 1423 O VAL A 95 15.665 8.094 5.710 1.00 1.00 O ATOM 1424 CB VAL A 95 13.706 6.346 7.682 1.00 1.00 C ATOM 1425 CG1 VAL A 95 14.942 5.788 8.397 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.374 7.728 8.249 1.00 1.00 C ATOM 0 H VAL A 95 13.564 4.404 6.149 1.00 1.00 H new ATOM 0 HA VAL A 95 13.283 7.214 5.765 1.00 1.00 H new ATOM 0 HB VAL A 95 12.871 5.664 7.844 1.00 1.00 H new ATOM 0 HG11 VAL A 95 14.741 5.712 9.466 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.176 4.800 8.001 1.00 1.00 H new ATOM 0 HG13 VAL A 95 15.789 6.455 8.233 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.193 7.648 9.321 1.00 1.00 H new ATOM 0 HG22 VAL A 95 14.210 8.405 8.072 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.482 8.118 7.759 1.00 1.00 H new ATOM 1436 N SER A 96 16.299 5.946 5.950 1.00 1.00 N ATOM 1437 CA SER A 96 17.720 6.227 5.748 1.00 1.00 C ATOM 1438 C SER A 96 17.989 6.762 4.347 1.00 1.00 C ATOM 1439 O SER A 96 18.706 7.750 4.182 1.00 1.00 O ATOM 1440 CB SER A 96 18.541 4.959 5.975 1.00 1.00 C ATOM 1441 OG SER A 96 18.526 4.632 7.358 1.00 1.00 O ATOM 0 H SER A 96 16.082 4.964 6.117 1.00 1.00 H new ATOM 0 HA SER A 96 18.013 6.991 6.468 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.130 4.136 5.390 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.566 5.110 5.636 1.00 1.00 H new ATOM 0 HG SER A 96 17.962 3.843 7.502 1.00 1.00 H new ATOM 1447 N ILE A 97 17.412 6.118 3.341 1.00 1.00 N ATOM 1448 CA ILE A 97 17.607 6.562 1.968 1.00 1.00 C ATOM 1449 C ILE A 97 16.817 7.846 1.737 1.00 1.00 C ATOM 1450 O ILE A 97 17.267 8.745 1.026 1.00 1.00 O ATOM 1451 CB ILE A 97 17.161 5.471 0.987 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.956 4.188 1.254 1.00 1.00 C ATOM 1453 CG2 ILE A 97 17.424 5.925 -0.452 1.00 1.00 C ATOM 1454 CD1 ILE A 97 17.178 2.983 0.718 1.00 1.00 C ATOM 0 H ILE A 97 16.814 5.299 3.447 1.00 1.00 H new ATOM 0 HA ILE A 97 18.666 6.758 1.798 1.00 1.00 H new ATOM 0 HB ILE A 97 16.096 5.286 1.123 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.933 4.246 0.774 1.00 1.00 H new ATOM 0 HG13 ILE A 97 18.133 4.073 2.323 1.00 1.00 H new ATOM 0 HG21 ILE A 97 17.105 5.145 -1.144 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.865 6.839 -0.653 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.489 6.114 -0.585 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.744 2.071 0.908 1.00 1.00 H new ATOM 0 HD12 ILE A 97 16.212 2.922 1.219 1.00 1.00 H new ATOM 0 HD13 ILE A 97 17.024 3.097 -0.355 1.00 1.00 H new ATOM 1466 N LEU A 98 15.642 7.926 2.356 1.00 1.00 N ATOM 1467 CA LEU A 98 14.793 9.104 2.225 1.00 1.00 C ATOM 1468 C LEU A 98 15.579 10.353 2.607 1.00 1.00 C ATOM 1469 O LEU A 98 15.580 11.347 1.880 1.00 1.00 O ATOM 1470 CB LEU A 98 13.581 8.958 3.150 1.00 1.00 C ATOM 1471 CG LEU A 98 12.773 10.258 3.178 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.280 9.926 3.150 1.00 1.00 C ATOM 1473 CD2 LEU A 98 13.085 11.033 4.463 1.00 1.00 C ATOM 0 H LEU A 98 15.258 7.192 2.951 1.00 1.00 H new ATOM 0 HA LEU A 98 14.458 9.196 1.192 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.951 8.138 2.807 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.912 8.706 4.157 1.00 1.00 H new ATOM 0 HG LEU A 98 13.037 10.864 2.311 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.701 10.850 3.170 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.048 9.372 2.241 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.026 9.320 4.019 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.508 11.958 4.479 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.820 10.425 5.328 1.00 1.00 H new ATOM 0 HD23 LEU A 98 14.149 11.268 4.497 1.00 1.00 H new ATOM 1485 N ASN A 99 16.259 10.287 3.746 1.00 1.00 N ATOM 1486 CA ASN A 99 17.061 11.410 4.213 1.00 1.00 C ATOM 1487 C ASN A 99 18.186 11.686 3.221 1.00 1.00 C ATOM 1488 O ASN A 99 18.587 12.833 3.019 1.00 1.00 O ATOM 1489 CB ASN A 99 17.651 11.095 5.589 1.00 1.00 C ATOM 1490 CG ASN A 99 17.604 12.338 6.470 1.00 1.00 C ATOM 1491 OD1 ASN A 99 18.176 13.370 6.116 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.956 12.303 7.602 1.00 1.00 N ATOM 0 H ASN A 99 16.271 9.472 4.360 1.00 1.00 H new ATOM 0 HA ASN A 99 16.426 12.292 4.292 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.092 10.285 6.057 1.00 1.00 H new ATOM 0 HB3 ASN A 99 18.680 10.752 5.483 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.922 13.131 8.196 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.483 11.447 7.893 1.00 1.00 H new ATOM 1499 N GLY A 100 18.679 10.621 2.599 1.00 1.00 N ATOM 1500 CA GLY A 100 19.750 10.746 1.618 1.00 1.00 C ATOM 1501 C GLY A 100 19.227 11.393 0.341 1.00 1.00 C ATOM 1502 O GLY A 100 19.948 12.123 -0.341 1.00 1.00 O ATOM 0 H GLY A 100 18.356 9.666 2.756 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.562 11.345 2.031 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.162 9.762 1.393 1.00 1.00 H new ATOM 1506 N ILE A 101 17.964 11.121 0.026 1.00 1.00 N ATOM 1507 CA ILE A 101 17.343 11.680 -1.168 1.00 1.00 C ATOM 1508 C ILE A 101 17.007 13.153 -0.954 1.00 1.00 C ATOM 1509 O ILE A 101 17.257 13.990 -1.821 1.00 1.00 O ATOM 1510 CB ILE A 101 16.066 10.902 -1.502 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.440 9.584 -2.192 1.00 1.00 C ATOM 1512 CG2 ILE A 101 15.182 11.733 -2.437 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.510 8.468 -1.709 1.00 1.00 C ATOM 0 H ILE A 101 17.354 10.519 0.579 1.00 1.00 H new ATOM 0 HA ILE A 101 18.045 11.597 -1.998 1.00 1.00 H new ATOM 0 HB ILE A 101 15.520 10.693 -0.582 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.362 9.693 -3.274 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.476 9.328 -1.972 1.00 1.00 H new ATOM 0 HG21 ILE A 101 14.275 11.175 -2.671 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.915 12.670 -1.948 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.725 11.946 -3.358 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.778 7.533 -2.201 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.610 8.352 -0.630 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.479 8.723 -1.952 1.00 1.00 H new ATOM 1525 N ALA A 102 16.437 13.462 0.206 1.00 1.00 N ATOM 1526 CA ALA A 102 16.069 14.837 0.523 1.00 1.00 C ATOM 1527 C ALA A 102 17.302 15.734 0.529 1.00 1.00 C ATOM 1528 O ALA A 102 17.212 16.931 0.250 1.00 1.00 O ATOM 1529 CB ALA A 102 15.388 14.893 1.892 1.00 1.00 C ATOM 0 H ALA A 102 16.221 12.784 0.937 1.00 1.00 H new ATOM 0 HA ALA A 102 15.378 15.194 -0.241 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.116 15.923 2.121 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.490 14.276 1.877 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.072 14.520 2.654 1.00 1.00 H new ATOM 1535 N LYS A 103 18.452 15.150 0.844 1.00 1.00 N ATOM 1536 CA LYS A 103 19.697 15.908 0.881 1.00 1.00 C ATOM 1537 C LYS A 103 20.098 16.347 -0.524 1.00 1.00 C ATOM 1538 O LYS A 103 20.518 17.485 -0.734 1.00 1.00 O ATOM 1539 CB LYS A 103 20.812 15.054 1.489 1.00 1.00 C ATOM 1540 CG LYS A 103 21.027 15.457 2.951 1.00 1.00 C ATOM 1541 CD LYS A 103 21.810 16.772 3.014 1.00 1.00 C ATOM 1542 CE LYS A 103 23.263 16.482 3.395 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.030 17.759 3.434 1.00 1.00 N ATOM 0 H LYS A 103 18.549 14.161 1.076 1.00 1.00 H new ATOM 0 HA LYS A 103 19.543 16.794 1.497 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.550 13.998 1.427 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.735 15.187 0.925 1.00 1.00 H new ATOM 0 HG2 LYS A 103 20.066 15.571 3.452 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.571 14.673 3.478 1.00 1.00 H new ATOM 0 HD2 LYS A 103 21.770 17.278 2.050 1.00 1.00 H new ATOM 0 HD3 LYS A 103 21.358 17.442 3.745 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.304 15.991 4.367 1.00 1.00 H new ATOM 0 HE3 LYS A 103 23.710 15.799 2.673 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.018 17.563 3.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 24.001 18.210 2.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 23.607 18.396 4.139 1.00 1.00 H new ATOM 1557 N GLN A 104 19.966 15.436 -1.484 1.00 1.00 N ATOM 1558 CA GLN A 104 20.317 15.743 -2.865 1.00 1.00 C ATOM 1559 C GLN A 104 19.289 16.685 -3.485 1.00 1.00 C ATOM 1560 O GLN A 104 19.645 17.721 -4.049 1.00 1.00 O ATOM 1561 CB GLN A 104 20.387 14.452 -3.684 1.00 1.00 C ATOM 1562 CG GLN A 104 21.350 13.471 -3.011 1.00 1.00 C ATOM 1563 CD GLN A 104 22.510 13.150 -3.946 1.00 1.00 C ATOM 1564 OE1 GLN A 104 23.011 14.036 -4.642 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.972 11.932 -4.004 1.00 1.00 N ATOM 0 H GLN A 104 19.622 14.488 -1.332 1.00 1.00 H new ATOM 0 HA GLN A 104 21.291 16.233 -2.872 1.00 1.00 H new ATOM 0 HB2 GLN A 104 19.396 14.006 -3.765 1.00 1.00 H new ATOM 0 HB3 GLN A 104 20.723 14.670 -4.698 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.729 13.900 -2.083 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.822 12.555 -2.746 1.00 1.00 H new ATOM 0 HE21 GLN A 104 22.556 11.201 -3.427 1.00 1.00 H new ATOM 0 HE22 GLN A 104 23.749 11.711 -4.626 1.00 1.00 H new ATOM 1574 N GLN A 105 18.017 16.320 -3.375 1.00 1.00 N ATOM 1575 CA GLN A 105 16.945 17.142 -3.928 1.00 1.00 C ATOM 1576 C GLN A 105 16.946 17.069 -5.452 1.00 1.00 C ATOM 1577 O GLN A 105 18.004 17.005 -6.079 1.00 1.00 O ATOM 1578 CB GLN A 105 17.119 18.598 -3.485 1.00 1.00 C ATOM 1579 CG GLN A 105 15.749 19.209 -3.191 1.00 1.00 C ATOM 1580 CD GLN A 105 15.898 20.685 -2.843 1.00 1.00 C ATOM 1581 OE1 GLN A 105 17.012 21.165 -2.636 1.00 1.00 O ATOM 1582 NE2 GLN A 105 14.835 21.439 -2.767 1.00 1.00 N ATOM 0 H GLN A 105 17.703 15.467 -2.912 1.00 1.00 H new ATOM 0 HA GLN A 105 15.993 16.761 -3.557 1.00 1.00 H new ATOM 0 HB2 GLN A 105 17.749 18.646 -2.597 1.00 1.00 H new ATOM 0 HB3 GLN A 105 17.624 19.169 -4.265 1.00 1.00 H new ATOM 0 HG2 GLN A 105 15.098 19.096 -4.058 1.00 1.00 H new ATOM 0 HG3 GLN A 105 15.275 18.679 -2.365 1.00 1.00 H new ATOM 0 HE21 GLN A 105 13.913 21.039 -2.939 1.00 1.00 H new ATOM 0 HE22 GLN A 105 14.927 22.428 -2.536 1.00 1.00 H new ATOM 1591 N ASN A 106 15.755 17.078 -6.040 1.00 1.00 N ATOM 1592 CA ASN A 106 15.629 17.012 -7.492 1.00 1.00 C ATOM 1593 C ASN A 106 14.531 17.952 -7.979 1.00 1.00 C ATOM 1594 O ASN A 106 14.067 17.847 -9.113 1.00 1.00 O ATOM 1595 CB ASN A 106 15.305 15.580 -7.923 1.00 1.00 C ATOM 1596 CG ASN A 106 15.691 15.375 -9.383 1.00 1.00 C ATOM 1597 OD1 ASN A 106 16.851 15.097 -9.687 1.00 1.00 O ATOM 1598 ND2 ASN A 106 14.782 15.492 -10.312 1.00 1.00 N ATOM 0 H ASN A 106 14.868 17.130 -5.538 1.00 1.00 H new ATOM 0 HA ASN A 106 16.577 17.320 -7.934 1.00 1.00 H new ATOM 0 HB2 ASN A 106 15.843 14.871 -7.293 1.00 1.00 H new ATOM 0 HB3 ASN A 106 14.241 15.383 -7.788 1.00 1.00 H new ATOM 0 HD21 ASN A 106 15.032 15.353 -11.291 1.00 1.00 H new ATOM 0 HD22 ASN A 106 13.821 15.722 -10.059 1.00 1.00 H new ATOM 1605 N SER A 107 14.116 18.871 -7.110 1.00 1.00 N ATOM 1606 CA SER A 107 13.071 19.823 -7.462 1.00 1.00 C ATOM 1607 C SER A 107 11.714 19.129 -7.525 1.00 1.00 C ATOM 1608 O SER A 107 11.566 18.095 -8.176 1.00 1.00 O ATOM 1609 CB SER A 107 13.382 20.465 -8.814 1.00 1.00 C ATOM 1610 OG SER A 107 12.881 21.794 -8.830 1.00 1.00 O ATOM 0 H SER A 107 14.485 18.975 -6.165 1.00 1.00 H new ATOM 0 HA SER A 107 13.036 20.596 -6.694 1.00 1.00 H new ATOM 0 HB2 SER A 107 14.458 20.468 -8.989 1.00 1.00 H new ATOM 0 HB3 SER A 107 12.930 19.884 -9.618 1.00 1.00 H new ATOM 0 HG SER A 107 13.081 22.208 -9.695 1.00 1.00 H new ATOM 1616 N GLN A 108 10.728 19.703 -6.845 1.00 1.00 N ATOM 1617 CA GLN A 108 9.387 19.131 -6.830 1.00 1.00 C ATOM 1618 C GLN A 108 8.762 19.192 -8.221 1.00 1.00 C ATOM 1619 O GLN A 108 8.796 18.217 -8.971 1.00 1.00 O ATOM 1620 CB GLN A 108 8.504 19.889 -5.838 1.00 1.00 C ATOM 1621 CG GLN A 108 7.101 19.280 -5.832 1.00 1.00 C ATOM 1622 CD GLN A 108 6.343 19.725 -4.587 1.00 1.00 C ATOM 1623 OE1 GLN A 108 6.613 20.798 -4.046 1.00 1.00 O ATOM 1624 NE2 GLN A 108 5.403 18.964 -4.099 1.00 1.00 N ATOM 0 H GLN A 108 10.831 20.559 -6.300 1.00 1.00 H new ATOM 0 HA GLN A 108 9.463 18.088 -6.523 1.00 1.00 H new ATOM 0 HB2 GLN A 108 8.937 19.840 -4.839 1.00 1.00 H new ATOM 0 HB3 GLN A 108 8.453 20.943 -6.112 1.00 1.00 H new ATOM 0 HG2 GLN A 108 6.559 19.587 -6.726 1.00 1.00 H new ATOM 0 HG3 GLN A 108 7.168 18.192 -5.857 1.00 1.00 H new ATOM 0 HE21 GLN A 108 5.181 18.076 -4.549 1.00 1.00 H new ATOM 0 HE22 GLN A 108 4.890 19.257 -3.268 1.00 1.00 H new ATOM 1633 N ASN A 109 8.194 20.345 -8.559 1.00 1.00 N ATOM 1634 CA ASN A 109 7.567 20.523 -9.862 1.00 1.00 C ATOM 1635 C ASN A 109 6.667 19.334 -10.192 1.00 1.00 C ATOM 1636 O ASN A 109 7.111 18.357 -10.794 1.00 1.00 O ATOM 1637 CB ASN A 109 8.637 20.669 -10.945 1.00 1.00 C ATOM 1638 CG ASN A 109 8.891 22.145 -11.231 1.00 1.00 C ATOM 1639 OD1 ASN A 109 10.036 22.597 -11.200 1.00 1.00 O ATOM 1640 ND2 ASN A 109 7.886 22.930 -11.510 1.00 1.00 N ATOM 0 H ASN A 109 8.155 21.164 -7.953 1.00 1.00 H new ATOM 0 HA ASN A 109 6.960 21.427 -9.828 1.00 1.00 H new ATOM 0 HB2 ASN A 109 9.561 20.188 -10.622 1.00 1.00 H new ATOM 0 HB3 ASN A 109 8.316 20.164 -11.856 1.00 1.00 H new ATOM 0 HD21 ASN A 109 8.049 23.918 -11.702 1.00 1.00 H new ATOM 0 HD22 ASN A 109 6.938 22.555 -11.536 1.00 1.00 H new ATOM 1647 N ASN A 110 5.403 19.426 -9.793 1.00 1.00 N ATOM 1648 CA ASN A 110 4.452 18.352 -10.052 1.00 1.00 C ATOM 1649 C ASN A 110 3.101 18.923 -10.473 1.00 1.00 C ATOM 1650 O ASN A 110 2.078 18.242 -10.400 1.00 1.00 O ATOM 1651 CB ASN A 110 4.278 17.494 -8.798 1.00 1.00 C ATOM 1652 CG ASN A 110 5.391 16.455 -8.719 1.00 1.00 C ATOM 1653 OD1 ASN A 110 6.383 16.552 -9.440 1.00 1.00 O ATOM 1654 ND2 ASN A 110 5.286 15.461 -7.880 1.00 1.00 N ATOM 0 H ASN A 110 5.016 20.226 -9.293 1.00 1.00 H new ATOM 0 HA ASN A 110 4.841 17.735 -10.862 1.00 1.00 H new ATOM 0 HB2 ASN A 110 4.295 18.126 -7.910 1.00 1.00 H new ATOM 0 HB3 ASN A 110 3.307 16.998 -8.818 1.00 1.00 H new ATOM 0 HD21 ASN A 110 6.027 14.763 -7.821 1.00 1.00 H new ATOM 0 HD22 ASN A 110 4.463 15.382 -7.283 1.00 1.00 H new ATOM 1661 N SER A 111 3.107 20.177 -10.915 1.00 1.00 N ATOM 1662 CA SER A 111 1.874 20.829 -11.344 1.00 1.00 C ATOM 1663 C SER A 111 1.261 20.088 -12.529 1.00 1.00 C ATOM 1664 O SER A 111 1.980 19.517 -13.351 1.00 1.00 O ATOM 1665 CB SER A 111 2.162 22.277 -11.738 1.00 1.00 C ATOM 1666 OG SER A 111 2.773 22.302 -13.022 1.00 1.00 O ATOM 0 H SER A 111 3.943 20.757 -10.985 1.00 1.00 H new ATOM 0 HA SER A 111 1.167 20.812 -10.515 1.00 1.00 H new ATOM 0 HB2 SER A 111 1.237 22.853 -11.752 1.00 1.00 H new ATOM 0 HB3 SER A 111 2.817 22.743 -11.002 1.00 1.00 H new ATOM 0 HG SER A 111 2.957 23.230 -13.278 1.00 1.00 H new ATOM 1672 N LYS A 112 -0.069 20.103 -12.602 1.00 1.00 N ATOM 1673 CA LYS A 112 -0.791 19.433 -13.683 1.00 1.00 C ATOM 1674 C LYS A 112 -1.022 17.965 -13.342 1.00 1.00 C ATOM 1675 O LYS A 112 -2.046 17.387 -13.709 1.00 1.00 O ATOM 1676 CB LYS A 112 -0.019 19.543 -15.000 1.00 1.00 C ATOM 1677 CG LYS A 112 -1.004 19.555 -16.170 1.00 1.00 C ATOM 1678 CD LYS A 112 -0.311 19.033 -17.430 1.00 1.00 C ATOM 1679 CE LYS A 112 0.940 19.869 -17.707 1.00 1.00 C ATOM 1680 NZ LYS A 112 0.622 21.314 -17.527 1.00 1.00 N ATOM 0 H LYS A 112 -0.670 20.573 -11.924 1.00 1.00 H new ATOM 0 HA LYS A 112 -1.756 19.926 -13.800 1.00 1.00 H new ATOM 0 HB2 LYS A 112 0.581 20.453 -15.007 1.00 1.00 H new ATOM 0 HB3 LYS A 112 0.671 18.705 -15.100 1.00 1.00 H new ATOM 0 HG2 LYS A 112 -1.870 18.936 -15.936 1.00 1.00 H new ATOM 0 HG3 LYS A 112 -1.372 20.567 -16.338 1.00 1.00 H new ATOM 0 HD2 LYS A 112 -0.040 17.985 -17.301 1.00 1.00 H new ATOM 0 HD3 LYS A 112 -0.991 19.084 -18.280 1.00 1.00 H new ATOM 0 HE2 LYS A 112 1.743 19.576 -17.031 1.00 1.00 H new ATOM 0 HE3 LYS A 112 1.294 19.687 -18.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 1.257 21.886 -18.119 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 -0.364 21.490 -17.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 0.750 21.576 -16.529 1.00 1.00 H new ATOM 1694 N ILE A 113 -0.068 17.368 -12.639 1.00 1.00 N ATOM 1695 CA ILE A 113 -0.178 15.965 -12.254 1.00 1.00 C ATOM 1696 C ILE A 113 -0.746 15.841 -10.844 1.00 1.00 C ATOM 1697 O ILE A 113 -0.768 14.754 -10.266 1.00 1.00 O ATOM 1698 CB ILE A 113 1.195 15.296 -12.314 1.00 1.00 C ATOM 1699 CG1 ILE A 113 2.009 15.905 -13.457 1.00 1.00 C ATOM 1700 CG2 ILE A 113 1.022 13.795 -12.557 1.00 1.00 C ATOM 1701 CD1 ILE A 113 3.278 15.082 -13.677 1.00 1.00 C ATOM 0 H ILE A 113 0.786 17.829 -12.325 1.00 1.00 H new ATOM 0 HA ILE A 113 -0.853 15.468 -12.951 1.00 1.00 H new ATOM 0 HB ILE A 113 1.717 15.454 -11.370 1.00 1.00 H new ATOM 0 HG12 ILE A 113 1.414 15.926 -14.370 1.00 1.00 H new ATOM 0 HG13 ILE A 113 2.269 16.937 -13.222 1.00 1.00 H new ATOM 0 HG21 ILE A 113 2.001 13.318 -12.600 1.00 1.00 H new ATOM 0 HG22 ILE A 113 0.441 13.359 -11.744 1.00 1.00 H new ATOM 0 HG23 ILE A 113 0.500 13.637 -13.501 1.00 1.00 H new ATOM 0 HD11 ILE A 113 3.857 15.517 -14.492 1.00 1.00 H new ATOM 0 HD12 ILE A 113 3.876 15.084 -12.765 1.00 1.00 H new ATOM 0 HD13 ILE A 113 3.008 14.057 -13.931 1.00 1.00 H new ATOM 1713 N ILE A 114 -1.206 16.962 -10.296 1.00 1.00 N ATOM 1714 CA ILE A 114 -1.772 16.967 -8.952 1.00 1.00 C ATOM 1715 C ILE A 114 -3.106 16.227 -8.929 1.00 1.00 C ATOM 1716 O ILE A 114 -3.568 15.794 -7.873 1.00 1.00 O ATOM 1717 CB ILE A 114 -1.977 18.406 -8.479 1.00 1.00 C ATOM 1718 CG1 ILE A 114 -0.618 19.101 -8.357 1.00 1.00 C ATOM 1719 CG2 ILE A 114 -2.670 18.404 -7.116 1.00 1.00 C ATOM 1720 CD1 ILE A 114 -0.824 20.609 -8.213 1.00 1.00 C ATOM 0 H ILE A 114 -1.198 17.871 -10.758 1.00 1.00 H new ATOM 0 HA ILE A 114 -1.077 16.460 -8.283 1.00 1.00 H new ATOM 0 HB ILE A 114 -2.597 18.939 -9.200 1.00 1.00 H new ATOM 0 HG12 ILE A 114 -0.076 18.714 -7.494 1.00 1.00 H new ATOM 0 HG13 ILE A 114 -0.010 18.889 -9.236 1.00 1.00 H new ATOM 0 HG21 ILE A 114 -2.815 19.431 -6.780 1.00 1.00 H new ATOM 0 HG22 ILE A 114 -3.638 17.909 -7.201 1.00 1.00 H new ATOM 0 HG23 ILE A 114 -2.052 17.870 -6.394 1.00 1.00 H new ATOM 0 HD11 ILE A 114 0.144 21.102 -8.126 1.00 1.00 H new ATOM 0 HD12 ILE A 114 -1.348 20.990 -9.090 1.00 1.00 H new ATOM 0 HD13 ILE A 114 -1.416 20.812 -7.320 1.00 1.00 H new ATOM 1732 N PHE A 115 -3.717 16.084 -10.100 1.00 1.00 N ATOM 1733 CA PHE A 115 -4.997 15.394 -10.202 1.00 1.00 C ATOM 1734 C PHE A 115 -4.961 14.077 -9.430 1.00 1.00 C ATOM 1735 O PHE A 115 -5.827 13.812 -8.597 1.00 1.00 O ATOM 1736 CB PHE A 115 -5.328 15.116 -11.670 1.00 1.00 C ATOM 1737 CG PHE A 115 -6.318 16.142 -12.166 1.00 1.00 C ATOM 1738 CD1 PHE A 115 -5.866 17.373 -12.654 1.00 1.00 C ATOM 1739 CD2 PHE A 115 -7.690 15.861 -12.137 1.00 1.00 C ATOM 1740 CE1 PHE A 115 -6.786 18.325 -13.114 1.00 1.00 C ATOM 1741 CE2 PHE A 115 -8.608 16.812 -12.597 1.00 1.00 C ATOM 1742 CZ PHE A 115 -8.157 18.044 -13.085 1.00 1.00 C ATOM 0 H PHE A 115 -3.350 16.434 -10.985 1.00 1.00 H new ATOM 0 HA PHE A 115 -5.766 16.035 -9.771 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -4.420 15.151 -12.272 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -5.743 14.114 -11.777 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -4.808 17.590 -12.676 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -8.039 14.911 -11.760 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -6.437 19.275 -13.491 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -9.666 16.595 -12.575 1.00 1.00 H new ATOM 0 HZ PHE A 115 -8.866 18.777 -13.439 1.00 1.00 H new ATOM 1752 N GLU A 116 -3.952 13.260 -9.715 1.00 1.00 N ATOM 1753 CA GLU A 116 -3.812 11.974 -9.040 1.00 1.00 C ATOM 1754 C GLU A 116 -2.354 11.720 -8.669 1.00 1.00 C ATOM 1755 O GLU A 116 -1.505 11.887 -9.530 1.00 1.00 O ATOM 1756 CB GLU A 116 -4.310 10.850 -9.950 1.00 1.00 C ATOM 1757 CG GLU A 116 -4.604 9.605 -9.112 1.00 1.00 C ATOM 1758 CD GLU A 116 -4.569 8.361 -9.994 1.00 1.00 C ATOM 1759 OE1 GLU A 116 -3.484 7.861 -10.236 1.00 1.00 O ATOM 1760 OE2 GLU A 116 -5.631 7.928 -10.414 1.00 1.00 O ATOM 0 H GLU A 116 -3.226 13.462 -10.402 1.00 1.00 H new ATOM 0 HA GLU A 116 -4.410 11.996 -8.129 1.00 1.00 H new ATOM 0 HB2 GLU A 116 -5.210 11.167 -10.477 1.00 1.00 H new ATOM 0 HB3 GLU A 116 -3.560 10.622 -10.708 1.00 1.00 H new ATOM 0 HG2 GLU A 116 -3.870 9.514 -8.312 1.00 1.00 H new ATOM 0 HG3 GLU A 116 -5.582 9.698 -8.639 1.00 1.00 H new TER 1767 GLU A 116 HETATM 1768 O1 MTN A 128 3.484 2.758 -10.294 1.00 1.00 O HETATM 1769 N1 MTN A 128 4.265 3.009 -11.259 1.00 1.00 N HETATM 1770 C1 MTN A 128 4.004 4.073 -12.251 1.00 1.00 C HETATM 1771 C2 MTN A 128 5.203 3.920 -13.110 1.00 1.00 C HETATM 1772 C3 MTN A 128 6.020 2.960 -12.717 1.00 1.00 C HETATM 1773 C4 MTN A 128 7.295 2.592 -13.395 1.00 1.00 C HETATM 1774 S1 MTN A 128 7.136 2.315 -15.177 1.00 1.00 S HETATM 1775 C5 MTN A 128 5.527 2.250 -11.481 1.00 1.00 C HETATM 1776 C6 MTN A 128 5.349 0.750 -11.678 1.00 1.00 C HETATM 1777 C7 MTN A 128 6.474 2.533 -10.321 1.00 1.00 C HETATM 1778 C8 MTN A 128 4.005 5.431 -11.569 1.00 1.00 C HETATM 1779 C9 MTN A 128 2.715 3.853 -13.039 1.00 1.00 C HETATM 0 H93 MTN A 128 2.775 2.907 -13.577 1.00 1.00 H new HETATM 0 H92 MTN A 128 1.869 3.827 -12.352 1.00 1.00 H new HETATM 0 H91 MTN A 128 2.580 4.668 -13.751 1.00 1.00 H new HETATM 0 H83 MTN A 128 3.228 5.455 -10.805 1.00 1.00 H new HETATM 0 H82 MTN A 128 4.976 5.604 -11.105 1.00 1.00 H new HETATM 0 H81 MTN A 128 3.812 6.209 -12.307 1.00 1.00 H new HETATM 0 H73 MTN A 128 6.686 3.601 -10.277 1.00 1.00 H new HETATM 0 H72 MTN A 128 6.010 2.216 -9.387 1.00 1.00 H new HETATM 0 H71 MTN A 128 7.404 1.984 -10.468 1.00 1.00 H new HETATM 0 H63 MTN A 128 4.878 0.320 -10.794 1.00 1.00 H new HETATM 0 H62 MTN A 128 4.719 0.570 -12.549 1.00 1.00 H new HETATM 0 H61 MTN A 128 6.323 0.285 -11.832 1.00 1.00 H new HETATM 0 H42 MTN A 128 8.025 3.384 -13.226 1.00 1.00 H new HETATM 0 H41 MTN A 128 7.692 1.688 -12.932 1.00 1.00 H new HETATM 0 H2 MTN A 128 5.392 4.542 -13.985 1.00 1.00 H new HETATM 1795 O1 MTN A 129 1.671 2.333 -7.977 1.00 1.00 O HETATM 1796 N1 MTN A 129 1.546 1.228 -8.582 1.00 1.00 N HETATM 1797 C1 MTN A 129 2.337 0.026 -8.240 1.00 1.00 C HETATM 1798 C2 MTN A 129 1.794 -0.928 -9.237 1.00 1.00 C HETATM 1799 C3 MTN A 129 0.865 -0.411 -10.019 1.00 1.00 C HETATM 1800 C4 MTN A 129 0.156 -1.146 -11.106 1.00 1.00 C HETATM 1801 S1 MTN A 129 1.121 -1.334 -12.625 1.00 1.00 S HETATM 1802 C5 MTN A 129 0.581 1.039 -9.704 1.00 1.00 C HETATM 1803 C6 MTN A 129 0.788 1.969 -10.894 1.00 1.00 C HETATM 1804 C7 MTN A 129 -0.833 1.174 -9.146 1.00 1.00 C HETATM 1805 C8 MTN A 129 2.006 -0.427 -6.829 1.00 1.00 C HETATM 1806 C9 MTN A 129 3.839 0.230 -8.416 1.00 1.00 C HETATM 0 H93 MTN A 129 4.053 0.482 -9.455 1.00 1.00 H new HETATM 0 H92 MTN A 129 4.174 1.041 -7.770 1.00 1.00 H new HETATM 0 H91 MTN A 129 4.364 -0.687 -8.149 1.00 1.00 H new HETATM 0 H83 MTN A 129 2.243 0.371 -6.126 1.00 1.00 H new HETATM 0 H82 MTN A 129 0.944 -0.665 -6.763 1.00 1.00 H new HETATM 0 H81 MTN A 129 2.592 -1.313 -6.584 1.00 1.00 H new HETATM 0 H73 MTN A 129 -0.996 0.415 -8.381 1.00 1.00 H new HETATM 0 H72 MTN A 129 -0.958 2.164 -8.708 1.00 1.00 H new HETATM 0 H71 MTN A 129 -1.556 1.039 -9.950 1.00 1.00 H new HETATM 0 H63 MTN A 129 0.689 3.004 -10.568 1.00 1.00 H new HETATM 0 H62 MTN A 129 1.784 1.813 -11.309 1.00 1.00 H new HETATM 0 H61 MTN A 129 0.039 1.756 -11.657 1.00 1.00 H new HETATM 0 H42 MTN A 129 -0.121 -2.135 -10.740 1.00 1.00 H new HETATM 0 H41 MTN A 129 -0.770 -0.621 -11.340 1.00 1.00 H new HETATM 0 H2 MTN A 129 2.131 -1.961 -9.317 1.00 1.00 H new