USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 886 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.29) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 81:sc= 0.842 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.886 K(o=-0.89,f=-5.3!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl -110:sc= -6.4! (180deg=-8.21!) USER MOD Single : A 34 MET CE :methyl -168:sc= -1.12 (180deg=-1.38) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.06! C(o=-3.1!,f=-3.6!) USER MOD Single : A 38 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.1!) USER MOD Single : A 39 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.77) USER MOD Single : A 47 GLN : amide:sc= -0.135 K(o=-0.13,f=-2.3!) USER MOD Single : A 51 GLN : amide:sc= -2.49! C(o=-2.5!,f=-3.4!) USER MOD Single : A 53 HIS : no HE2:sc= 0.0945 K(o=0.095,f=-0.43) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 24:sc= 1.1 USER MOD Single : B 12 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.27) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 18 SER OG : rot 79:sc= 0.839 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.865 K(o=-0.87,f=-5.2!) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 33 MET CE :methyl -117:sc= -6.72! (180deg=-8.65!) USER MOD Single : B 34 MET CE :methyl -170:sc= -1.28 (180deg=-1.45) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -2.93! C(o=-2.9!,f=-3.6!) USER MOD Single : B 38 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.2!) USER MOD Single : B 39 ASN : amide:sc= -0.201 K(o=-0.2,f=-0.89) USER MOD Single : B 47 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.1!) USER MOD Single : B 51 GLN : amide:sc= -2.5! C(o=-2.5!,f=-3.5!) USER MOD Single : B 53 HIS : no HE2:sc= 0.0924 K(o=0.092,f=-0.44) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=-0.00091) USER MOD Single : B 63 SER OG : rot 16:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -26.118 18.859 -9.080 1.00 0.00 N ATOM 2 CA LEU A 8 -27.586 18.630 -8.968 1.00 0.00 C ATOM 3 C LEU A 8 -27.874 17.145 -8.732 1.00 0.00 C ATOM 4 O LEU A 8 -28.851 16.607 -9.214 1.00 0.00 O ATOM 5 CB LEU A 8 -28.162 19.082 -10.311 1.00 0.00 C ATOM 6 CG LEU A 8 -29.567 19.648 -10.101 1.00 0.00 C ATOM 7 CD1 LEU A 8 -29.467 21.102 -9.640 1.00 0.00 C ATOM 8 CD2 LEU A 8 -30.344 19.582 -11.417 1.00 0.00 C ATOM 0 HA LEU A 8 -28.026 19.175 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -27.517 19.838 -10.759 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -28.197 18.242 -11.005 1.00 0.00 H new ATOM 0 HG LEU A 8 -30.086 19.062 -9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -30.468 21.506 -9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -28.913 21.149 -8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -28.949 21.689 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -31.346 19.985 -11.269 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -29.825 20.168 -12.175 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -30.415 18.545 -11.746 1.00 0.00 H new ATOM 20 N GLU A 9 -27.030 16.478 -7.993 1.00 0.00 N ATOM 21 CA GLU A 9 -27.255 15.028 -7.728 1.00 0.00 C ATOM 22 C GLU A 9 -27.445 14.270 -9.048 1.00 0.00 C ATOM 23 O GLU A 9 -28.437 13.592 -9.231 1.00 0.00 O ATOM 24 CB GLU A 9 -28.533 14.973 -6.889 1.00 0.00 C ATOM 25 CG GLU A 9 -28.168 14.938 -5.404 1.00 0.00 C ATOM 26 CD GLU A 9 -29.219 15.708 -4.602 1.00 0.00 C ATOM 27 OE1 GLU A 9 -30.386 15.609 -4.944 1.00 0.00 O ATOM 28 OE2 GLU A 9 -28.840 16.382 -3.658 1.00 0.00 O ATOM 0 H GLU A 9 -26.195 16.874 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 9 -26.411 14.566 -7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -29.157 15.841 -7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -29.116 14.090 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -28.114 13.906 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.183 15.379 -5.250 1.00 0.00 H new ATOM 35 N PRO A 10 -26.484 14.408 -9.929 1.00 0.00 N ATOM 36 CA PRO A 10 -26.558 13.721 -11.242 1.00 0.00 C ATOM 37 C PRO A 10 -26.314 12.218 -11.073 1.00 0.00 C ATOM 38 O PRO A 10 -27.033 11.401 -11.610 1.00 0.00 O ATOM 39 CB PRO A 10 -25.436 14.367 -12.051 1.00 0.00 C ATOM 40 CG PRO A 10 -24.465 14.871 -11.031 1.00 0.00 C ATOM 41 CD PRO A 10 -25.255 15.203 -9.792 1.00 0.00 C ATOM 0 HA PRO A 10 -27.532 13.819 -11.722 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -24.967 13.646 -12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -25.814 15.179 -12.672 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -23.708 14.117 -10.814 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -23.941 15.752 -11.401 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.708 14.939 -8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -25.474 16.269 -9.732 1.00 0.00 H new ATOM 49 N ASP A 11 -25.302 11.854 -10.327 1.00 0.00 N ATOM 50 CA ASP A 11 -24.995 10.405 -10.112 1.00 0.00 C ATOM 51 C ASP A 11 -24.715 9.715 -11.450 1.00 0.00 C ATOM 52 O ASP A 11 -23.577 9.533 -11.839 1.00 0.00 O ATOM 53 CB ASP A 11 -26.243 9.812 -9.448 1.00 0.00 C ATOM 54 CG ASP A 11 -25.977 9.608 -7.955 1.00 0.00 C ATOM 55 OD1 ASP A 11 -24.865 9.236 -7.616 1.00 0.00 O ATOM 56 OD2 ASP A 11 -26.889 9.828 -7.175 1.00 0.00 O ATOM 0 H ASP A 11 -24.671 12.501 -9.854 1.00 0.00 H new ATOM 0 HA ASP A 11 -24.109 10.266 -9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -27.094 10.478 -9.589 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -26.500 8.862 -9.916 1.00 0.00 H new ATOM 61 N ASN A 12 -25.739 9.327 -12.155 1.00 0.00 N ATOM 62 CA ASN A 12 -25.530 8.648 -13.467 1.00 0.00 C ATOM 63 C ASN A 12 -26.748 8.854 -14.371 1.00 0.00 C ATOM 64 O ASN A 12 -26.986 8.097 -15.291 1.00 0.00 O ATOM 65 CB ASN A 12 -25.360 7.167 -13.123 1.00 0.00 C ATOM 66 CG ASN A 12 -26.617 6.662 -12.411 1.00 0.00 C ATOM 67 OD1 ASN A 12 -26.674 6.641 -11.197 1.00 0.00 O ATOM 68 ND2 ASN A 12 -27.632 6.249 -13.119 1.00 0.00 N ATOM 0 H ASN A 12 -26.714 9.450 -11.881 1.00 0.00 H new ATOM 0 HA ASN A 12 -24.668 9.044 -14.004 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -25.186 6.589 -14.031 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -24.487 7.029 -12.485 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -28.473 5.908 -12.654 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -27.584 6.267 -14.138 1.00 0.00 H new ATOM 75 N VAL A 13 -27.523 9.872 -14.114 1.00 0.00 N ATOM 76 CA VAL A 13 -28.727 10.124 -14.958 1.00 0.00 C ATOM 77 C VAL A 13 -28.357 11.014 -16.165 1.00 0.00 C ATOM 78 O VAL A 13 -28.717 10.703 -17.282 1.00 0.00 O ATOM 79 CB VAL A 13 -29.739 10.796 -14.005 1.00 0.00 C ATOM 80 CG1 VAL A 13 -30.685 11.737 -14.764 1.00 0.00 C ATOM 81 CG2 VAL A 13 -30.570 9.708 -13.320 1.00 0.00 C ATOM 0 H VAL A 13 -27.375 10.540 -13.357 1.00 0.00 H new ATOM 0 HA VAL A 13 -29.148 9.217 -15.391 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.184 11.383 -13.273 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -31.384 12.193 -14.063 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -30.104 12.517 -15.257 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -31.239 11.170 -15.512 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -31.289 10.171 -12.644 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -31.102 9.128 -14.074 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.911 9.049 -12.754 1.00 0.00 H new ATOM 91 N PRO A 14 -27.653 12.091 -15.908 1.00 0.00 N ATOM 92 CA PRO A 14 -27.254 13.001 -17.003 1.00 0.00 C ATOM 93 C PRO A 14 -25.996 12.474 -17.701 1.00 0.00 C ATOM 94 O PRO A 14 -26.060 11.934 -18.787 1.00 0.00 O ATOM 95 CB PRO A 14 -26.979 14.320 -16.288 1.00 0.00 C ATOM 96 CG PRO A 14 -26.646 13.955 -14.871 1.00 0.00 C ATOM 97 CD PRO A 14 -27.166 12.560 -14.608 1.00 0.00 C ATOM 0 HA PRO A 14 -28.010 13.099 -17.782 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -26.154 14.855 -16.758 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -27.849 14.976 -16.329 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -25.569 13.995 -14.711 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -27.098 14.666 -14.179 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -26.380 11.911 -14.222 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -27.965 12.569 -13.866 1.00 0.00 H new ATOM 105 N MET A 15 -24.854 12.622 -17.086 1.00 0.00 N ATOM 106 CA MET A 15 -23.599 12.124 -17.715 1.00 0.00 C ATOM 107 C MET A 15 -22.414 12.332 -16.767 1.00 0.00 C ATOM 108 O MET A 15 -22.512 13.037 -15.782 1.00 0.00 O ATOM 109 CB MET A 15 -23.424 12.963 -18.982 1.00 0.00 C ATOM 110 CG MET A 15 -23.256 12.038 -20.190 1.00 0.00 C ATOM 111 SD MET A 15 -23.765 12.909 -21.692 1.00 0.00 S ATOM 112 CE MET A 15 -24.015 11.447 -22.728 1.00 0.00 C ATOM 0 H MET A 15 -24.737 13.066 -16.175 1.00 0.00 H new ATOM 0 HA MET A 15 -23.647 11.058 -17.938 1.00 0.00 H new ATOM 0 HB2 MET A 15 -24.289 13.610 -19.124 1.00 0.00 H new ATOM 0 HB3 MET A 15 -22.553 13.612 -18.884 1.00 0.00 H new ATOM 0 HG2 MET A 15 -22.217 11.719 -20.276 1.00 0.00 H new ATOM 0 HG3 MET A 15 -23.856 11.137 -20.058 1.00 0.00 H new ATOM 0 HE1 MET A 15 -24.339 11.756 -23.722 1.00 0.00 H new ATOM 0 HE2 MET A 15 -23.080 10.893 -22.807 1.00 0.00 H new ATOM 0 HE3 MET A 15 -24.777 10.810 -22.280 1.00 0.00 H new ATOM 122 N ASP A 16 -21.297 11.722 -17.055 1.00 0.00 N ATOM 123 CA ASP A 16 -20.109 11.886 -16.168 1.00 0.00 C ATOM 124 C ASP A 16 -18.948 12.511 -16.947 1.00 0.00 C ATOM 125 O ASP A 16 -17.798 12.183 -16.734 1.00 0.00 O ATOM 126 CB ASP A 16 -19.752 10.469 -15.719 1.00 0.00 C ATOM 127 CG ASP A 16 -20.773 9.987 -14.687 1.00 0.00 C ATOM 128 OD1 ASP A 16 -21.911 10.423 -14.761 1.00 0.00 O ATOM 129 OD2 ASP A 16 -20.401 9.191 -13.842 1.00 0.00 O ATOM 0 H ASP A 16 -21.155 11.118 -17.865 1.00 0.00 H new ATOM 0 HA ASP A 16 -20.313 12.543 -15.322 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.741 9.796 -16.577 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.750 10.454 -15.289 1.00 0.00 H new ATOM 134 N MET A 17 -19.240 13.409 -17.848 1.00 0.00 N ATOM 135 CA MET A 17 -18.151 14.053 -18.637 1.00 0.00 C ATOM 136 C MET A 17 -17.112 14.669 -17.697 1.00 0.00 C ATOM 137 O MET A 17 -15.947 14.774 -18.027 1.00 0.00 O ATOM 138 CB MET A 17 -18.845 15.143 -19.455 1.00 0.00 C ATOM 139 CG MET A 17 -19.510 16.147 -18.511 1.00 0.00 C ATOM 140 SD MET A 17 -20.853 16.993 -19.378 1.00 0.00 S ATOM 141 CE MET A 17 -20.352 18.686 -18.976 1.00 0.00 C ATOM 0 H MET A 17 -20.184 13.724 -18.072 1.00 0.00 H new ATOM 0 HA MET A 17 -17.624 13.340 -19.272 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.121 15.651 -20.091 1.00 0.00 H new ATOM 0 HB3 MET A 17 -19.591 14.698 -20.114 1.00 0.00 H new ATOM 0 HG2 MET A 17 -19.898 15.633 -17.631 1.00 0.00 H new ATOM 0 HG3 MET A 17 -18.776 16.872 -18.159 1.00 0.00 H new ATOM 0 HE1 MET A 17 -21.056 19.389 -19.421 1.00 0.00 H new ATOM 0 HE2 MET A 17 -20.344 18.816 -17.894 1.00 0.00 H new ATOM 0 HE3 MET A 17 -19.354 18.874 -19.371 1.00 0.00 H new ATOM 151 N SER A 18 -17.524 15.073 -16.524 1.00 0.00 N ATOM 152 CA SER A 18 -16.562 15.682 -15.557 1.00 0.00 C ATOM 153 C SER A 18 -15.856 16.885 -16.195 1.00 0.00 C ATOM 154 O SER A 18 -15.970 17.109 -17.384 1.00 0.00 O ATOM 155 CB SER A 18 -15.558 14.575 -15.239 1.00 0.00 C ATOM 156 OG SER A 18 -16.261 13.382 -14.918 1.00 0.00 O ATOM 0 H SER A 18 -18.487 15.008 -16.193 1.00 0.00 H new ATOM 0 HA SER A 18 -17.059 16.047 -14.659 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.903 14.406 -16.093 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.923 14.873 -14.404 1.00 0.00 H new ATOM 0 HG SER A 18 -16.533 12.930 -15.744 1.00 0.00 H new ATOM 162 N PRO A 19 -15.145 17.629 -15.379 1.00 0.00 N ATOM 163 CA PRO A 19 -14.418 18.817 -15.874 1.00 0.00 C ATOM 164 C PRO A 19 -13.027 18.448 -16.409 1.00 0.00 C ATOM 165 O PRO A 19 -12.166 19.294 -16.543 1.00 0.00 O ATOM 166 CB PRO A 19 -14.315 19.700 -14.635 1.00 0.00 C ATOM 167 CG PRO A 19 -14.405 18.769 -13.460 1.00 0.00 C ATOM 168 CD PRO A 19 -14.958 17.445 -13.939 1.00 0.00 C ATOM 0 HA PRO A 19 -14.922 19.303 -16.709 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.375 20.252 -14.625 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.118 20.437 -14.612 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.422 18.629 -13.011 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.049 19.192 -12.690 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.269 16.627 -13.729 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.899 17.204 -13.444 1.00 0.00 H new ATOM 176 N LYS A 20 -12.810 17.199 -16.734 1.00 0.00 N ATOM 177 CA LYS A 20 -11.484 16.759 -17.284 1.00 0.00 C ATOM 178 C LYS A 20 -10.357 16.946 -16.258 1.00 0.00 C ATOM 179 O LYS A 20 -9.791 15.985 -15.774 1.00 0.00 O ATOM 180 CB LYS A 20 -11.239 17.636 -18.518 1.00 0.00 C ATOM 181 CG LYS A 20 -10.152 17.000 -19.386 1.00 0.00 C ATOM 182 CD LYS A 20 -8.789 17.581 -19.006 1.00 0.00 C ATOM 183 CE LYS A 20 -7.888 17.623 -20.242 1.00 0.00 C ATOM 184 NZ LYS A 20 -6.779 18.549 -19.879 1.00 0.00 N ATOM 0 H LYS A 20 -13.501 16.454 -16.642 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.495 15.697 -17.531 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.160 17.743 -19.090 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.936 18.637 -18.212 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.149 15.919 -19.249 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.358 17.187 -20.440 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.911 18.584 -18.598 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.328 16.974 -18.227 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.509 16.631 -20.488 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.432 17.982 -21.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.118 18.630 -20.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.169 19.487 -19.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.274 18.178 -19.049 1.00 0.00 H new ATOM 198 N ALA A 21 -10.017 18.167 -15.934 1.00 0.00 N ATOM 199 CA ALA A 21 -8.914 18.413 -14.952 1.00 0.00 C ATOM 200 C ALA A 21 -9.063 17.511 -13.721 1.00 0.00 C ATOM 201 O ALA A 21 -8.118 16.891 -13.276 1.00 0.00 O ATOM 202 CB ALA A 21 -9.061 19.882 -14.556 1.00 0.00 C ATOM 0 H ALA A 21 -10.456 19.008 -16.308 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.935 18.194 -15.379 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.286 20.144 -13.835 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.960 20.509 -15.442 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.042 20.042 -14.109 1.00 0.00 H new ATOM 208 N LEU A 22 -10.243 17.428 -13.176 1.00 0.00 N ATOM 209 CA LEU A 22 -10.455 16.560 -11.982 1.00 0.00 C ATOM 210 C LEU A 22 -10.613 15.111 -12.430 1.00 0.00 C ATOM 211 O LEU A 22 -10.073 14.198 -11.839 1.00 0.00 O ATOM 212 CB LEU A 22 -11.749 17.064 -11.344 1.00 0.00 C ATOM 213 CG LEU A 22 -11.474 18.359 -10.581 1.00 0.00 C ATOM 214 CD1 LEU A 22 -11.168 19.478 -11.576 1.00 0.00 C ATOM 215 CD2 LEU A 22 -12.706 18.736 -9.755 1.00 0.00 C ATOM 0 H LEU A 22 -11.072 17.923 -13.505 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.620 16.600 -11.283 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.502 17.236 -12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.151 16.310 -10.667 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.621 18.217 -9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.971 20.403 -11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.292 19.210 -12.167 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.022 19.620 -12.238 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.510 19.660 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.559 18.880 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.928 17.937 -9.047 1.00 0.00 H new ATOM 227 N GLN A 23 -11.358 14.902 -13.477 1.00 0.00 N ATOM 228 CA GLN A 23 -11.568 13.514 -13.984 1.00 0.00 C ATOM 229 C GLN A 23 -10.222 12.812 -14.183 1.00 0.00 C ATOM 230 O GLN A 23 -10.045 11.669 -13.809 1.00 0.00 O ATOM 231 CB GLN A 23 -12.284 13.687 -15.324 1.00 0.00 C ATOM 232 CG GLN A 23 -12.753 12.323 -15.832 1.00 0.00 C ATOM 233 CD GLN A 23 -13.037 12.407 -17.333 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.923 13.124 -17.756 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.318 11.701 -18.162 1.00 0.00 N ATOM 0 H GLN A 23 -11.833 15.633 -14.007 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.144 12.904 -13.288 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.136 14.357 -15.209 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.613 14.146 -16.050 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.991 11.569 -15.637 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.651 12.014 -15.298 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.575 11.099 -17.808 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.499 11.751 -19.165 1.00 0.00 H new ATOM 244 N GLN A 24 -9.271 13.486 -14.771 1.00 0.00 N ATOM 245 CA GLN A 24 -7.939 12.855 -14.995 1.00 0.00 C ATOM 246 C GLN A 24 -7.199 12.695 -13.663 1.00 0.00 C ATOM 247 O GLN A 24 -6.657 11.651 -13.365 1.00 0.00 O ATOM 248 CB GLN A 24 -7.190 13.825 -15.911 1.00 0.00 C ATOM 249 CG GLN A 24 -6.966 13.168 -17.274 1.00 0.00 C ATOM 250 CD GLN A 24 -5.501 12.742 -17.400 1.00 0.00 C ATOM 251 OE1 GLN A 24 -4.643 13.552 -17.687 1.00 0.00 O ATOM 252 NE2 GLN A 24 -5.178 11.494 -17.196 1.00 0.00 N ATOM 0 H GLN A 24 -9.359 14.446 -15.106 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.021 11.861 -15.434 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.761 14.746 -16.029 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.234 14.098 -15.465 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.619 12.302 -17.384 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.223 13.864 -18.072 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.899 10.814 -16.955 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.205 11.199 -17.278 1.00 0.00 H new ATOM 261 N LYS A 25 -7.174 13.725 -12.860 1.00 0.00 N ATOM 262 CA LYS A 25 -6.469 13.630 -11.550 1.00 0.00 C ATOM 263 C LYS A 25 -7.100 12.535 -10.686 1.00 0.00 C ATOM 264 O LYS A 25 -6.417 11.690 -10.143 1.00 0.00 O ATOM 265 CB LYS A 25 -6.658 15.002 -10.900 1.00 0.00 C ATOM 266 CG LYS A 25 -5.369 15.815 -11.037 1.00 0.00 C ATOM 267 CD LYS A 25 -5.081 16.068 -12.518 1.00 0.00 C ATOM 268 CE LYS A 25 -3.591 16.358 -12.706 1.00 0.00 C ATOM 269 NZ LYS A 25 -3.486 16.967 -14.062 1.00 0.00 N ATOM 0 H LYS A 25 -7.611 14.626 -13.054 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.416 13.374 -11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.485 15.530 -11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.916 14.885 -9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.466 16.763 -10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.538 15.278 -10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.371 15.199 -13.109 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.674 16.909 -12.876 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.221 17.037 -11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.999 15.445 -12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.492 17.194 -14.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.839 16.295 -14.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.054 17.838 -14.097 1.00 0.00 H new ATOM 283 N ILE A 26 -8.398 12.543 -10.555 1.00 0.00 N ATOM 284 CA ILE A 26 -9.071 11.501 -9.727 1.00 0.00 C ATOM 285 C ILE A 26 -8.665 10.104 -10.205 1.00 0.00 C ATOM 286 O ILE A 26 -8.157 9.301 -9.448 1.00 0.00 O ATOM 287 CB ILE A 26 -10.567 11.730 -9.940 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.957 13.101 -9.379 1.00 0.00 C ATOM 289 CG2 ILE A 26 -11.361 10.640 -9.216 1.00 0.00 C ATOM 290 CD1 ILE A 26 -12.331 13.501 -9.919 1.00 0.00 C ATOM 0 H ILE A 26 -9.022 13.226 -10.985 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.797 11.568 -8.674 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.791 11.694 -11.006 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.978 13.067 -8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.213 13.846 -9.660 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.428 10.805 -9.369 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.084 9.663 -9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.138 10.675 -8.150 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.609 14.477 -9.520 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.294 13.551 -11.007 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.071 12.761 -9.615 1.00 0.00 H new ATOM 302 N HIS A 27 -8.886 9.808 -11.456 1.00 0.00 N ATOM 303 CA HIS A 27 -8.514 8.463 -11.981 1.00 0.00 C ATOM 304 C HIS A 27 -6.991 8.293 -11.978 1.00 0.00 C ATOM 305 O HIS A 27 -6.481 7.191 -12.016 1.00 0.00 O ATOM 306 CB HIS A 27 -9.052 8.433 -13.412 1.00 0.00 C ATOM 307 CG HIS A 27 -9.493 7.035 -13.753 1.00 0.00 C ATOM 308 ND1 HIS A 27 -8.740 6.201 -14.564 1.00 0.00 N ATOM 309 CD2 HIS A 27 -10.606 6.313 -13.402 1.00 0.00 C ATOM 310 CE1 HIS A 27 -9.402 5.035 -14.673 1.00 0.00 C ATOM 311 NE2 HIS A 27 -10.546 5.050 -13.984 1.00 0.00 N ATOM 0 H HIS A 27 -9.308 10.439 -12.138 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.924 7.657 -11.373 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.889 9.124 -13.512 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.281 8.763 -14.109 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.406 6.670 -12.771 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.051 4.190 -15.247 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.229 4.297 -13.902 1.00 0.00 H new ATOM 319 N GLU A 28 -6.262 9.374 -11.933 1.00 0.00 N ATOM 320 CA GLU A 28 -4.774 9.271 -11.929 1.00 0.00 C ATOM 321 C GLU A 28 -4.273 8.898 -10.531 1.00 0.00 C ATOM 322 O GLU A 28 -3.455 8.013 -10.371 1.00 0.00 O ATOM 323 CB GLU A 28 -4.280 10.664 -12.322 1.00 0.00 C ATOM 324 CG GLU A 28 -4.153 10.750 -13.844 1.00 0.00 C ATOM 325 CD GLU A 28 -2.718 10.421 -14.257 1.00 0.00 C ATOM 326 OE1 GLU A 28 -1.808 10.944 -13.634 1.00 0.00 O ATOM 327 OE2 GLU A 28 -2.551 9.653 -15.189 1.00 0.00 O ATOM 0 H GLU A 28 -6.631 10.324 -11.899 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.411 8.502 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.974 11.423 -11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.316 10.865 -11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.847 10.055 -14.317 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.421 11.750 -14.186 1.00 0.00 H new ATOM 334 N LEU A 29 -4.755 9.567 -9.519 1.00 0.00 N ATOM 335 CA LEU A 29 -4.304 9.250 -8.133 1.00 0.00 C ATOM 336 C LEU A 29 -4.470 7.753 -7.851 1.00 0.00 C ATOM 337 O LEU A 29 -3.656 7.143 -7.186 1.00 0.00 O ATOM 338 CB LEU A 29 -5.216 10.071 -7.222 1.00 0.00 C ATOM 339 CG LEU A 29 -4.845 11.551 -7.328 1.00 0.00 C ATOM 340 CD1 LEU A 29 -6.096 12.407 -7.127 1.00 0.00 C ATOM 341 CD2 LEU A 29 -3.814 11.896 -6.252 1.00 0.00 C ATOM 0 H LEU A 29 -5.441 10.319 -9.591 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.252 9.487 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.258 9.925 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.117 9.733 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.424 11.750 -8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.831 13.462 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.832 12.162 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.518 12.209 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.549 12.951 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.236 11.697 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.922 11.287 -6.395 1.00 0.00 H new ATOM 353 N GLU A 30 -5.517 7.159 -8.352 1.00 0.00 N ATOM 354 CA GLU A 30 -5.733 5.702 -8.111 1.00 0.00 C ATOM 355 C GLU A 30 -4.634 4.885 -8.795 1.00 0.00 C ATOM 356 O GLU A 30 -4.078 3.971 -8.219 1.00 0.00 O ATOM 357 CB GLU A 30 -7.095 5.396 -8.736 1.00 0.00 C ATOM 358 CG GLU A 30 -7.786 4.290 -7.937 1.00 0.00 C ATOM 359 CD GLU A 30 -7.701 2.971 -8.709 1.00 0.00 C ATOM 360 OE1 GLU A 30 -6.621 2.653 -9.179 1.00 0.00 O ATOM 361 OE2 GLU A 30 -8.716 2.305 -8.817 1.00 0.00 O ATOM 0 H GLU A 30 -6.232 7.617 -8.917 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.704 5.449 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.713 6.294 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.970 5.086 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.313 4.183 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.829 4.553 -7.759 1.00 0.00 H new ATOM 368 N GLY A 31 -4.316 5.207 -10.018 1.00 0.00 N ATOM 369 CA GLY A 31 -3.252 4.448 -10.736 1.00 0.00 C ATOM 370 C GLY A 31 -1.923 4.605 -9.997 1.00 0.00 C ATOM 371 O GLY A 31 -1.098 3.712 -9.987 1.00 0.00 O ATOM 0 H GLY A 31 -4.746 5.962 -10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.522 3.394 -10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.157 4.814 -11.758 1.00 0.00 H new ATOM 375 N LEU A 32 -1.707 5.733 -9.378 1.00 0.00 N ATOM 376 CA LEU A 32 -0.428 5.946 -8.639 1.00 0.00 C ATOM 377 C LEU A 32 -0.468 5.222 -7.290 1.00 0.00 C ATOM 378 O LEU A 32 0.553 4.902 -6.716 1.00 0.00 O ATOM 379 CB LEU A 32 -0.337 7.458 -8.434 1.00 0.00 C ATOM 380 CG LEU A 32 1.111 7.847 -8.131 1.00 0.00 C ATOM 381 CD1 LEU A 32 1.872 8.046 -9.442 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.131 9.149 -7.328 1.00 0.00 C ATOM 0 H LEU A 32 -2.360 6.517 -9.351 1.00 0.00 H new ATOM 0 HA LEU A 32 0.433 5.555 -9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.685 7.978 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.986 7.764 -7.613 1.00 0.00 H new ATOM 0 HG LEU A 32 1.586 7.055 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.904 8.323 -9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.858 7.119 -10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.398 8.838 -10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.162 9.427 -7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.655 9.941 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.589 9.008 -6.393 1.00 0.00 H new ATOM 394 N MET A 33 -1.641 4.963 -6.781 1.00 0.00 N ATOM 395 CA MET A 33 -1.746 4.262 -5.469 1.00 0.00 C ATOM 396 C MET A 33 -1.121 2.866 -5.558 1.00 0.00 C ATOM 397 O MET A 33 -0.200 2.541 -4.836 1.00 0.00 O ATOM 398 CB MET A 33 -3.247 4.159 -5.192 1.00 0.00 C ATOM 399 CG MET A 33 -3.558 4.767 -3.822 1.00 0.00 C ATOM 400 SD MET A 33 -5.002 5.850 -3.954 1.00 0.00 S ATOM 401 CE MET A 33 -6.239 4.649 -3.404 1.00 0.00 C ATOM 0 H MET A 33 -2.531 5.206 -7.216 1.00 0.00 H new ATOM 0 HA MET A 33 -1.220 4.794 -4.677 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.807 4.680 -5.968 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.561 3.116 -5.218 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.749 3.976 -3.096 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.699 5.332 -3.460 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.870 4.365 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.738 3.764 -3.011 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.856 5.094 -2.623 1.00 0.00 H new ATOM 411 N MET A 34 -1.615 2.039 -6.438 1.00 0.00 N ATOM 412 CA MET A 34 -1.050 0.665 -6.571 1.00 0.00 C ATOM 413 C MET A 34 0.414 0.733 -7.016 1.00 0.00 C ATOM 414 O MET A 34 1.219 -0.107 -6.664 1.00 0.00 O ATOM 415 CB MET A 34 -1.904 -0.013 -7.642 1.00 0.00 C ATOM 416 CG MET A 34 -1.823 -1.531 -7.477 1.00 0.00 C ATOM 417 SD MET A 34 -3.426 -2.269 -7.876 1.00 0.00 S ATOM 418 CE MET A 34 -4.301 -1.730 -6.387 1.00 0.00 C ATOM 0 H MET A 34 -2.385 2.255 -7.071 1.00 0.00 H new ATOM 0 HA MET A 34 -1.069 0.119 -5.628 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.939 0.317 -7.559 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.556 0.274 -8.634 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.051 -1.938 -8.130 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.540 -1.782 -6.455 1.00 0.00 H new ATOM 0 HE1 MET A 34 -5.255 -2.253 -6.316 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.697 -1.956 -5.508 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.479 -0.656 -6.438 1.00 0.00 H new ATOM 428 N GLN A 35 0.765 1.724 -7.789 1.00 0.00 N ATOM 429 CA GLN A 35 2.175 1.843 -8.259 1.00 0.00 C ATOM 430 C GLN A 35 3.139 1.789 -7.068 1.00 0.00 C ATOM 431 O GLN A 35 3.782 0.789 -6.823 1.00 0.00 O ATOM 432 CB GLN A 35 2.245 3.206 -8.952 1.00 0.00 C ATOM 433 CG GLN A 35 3.688 3.498 -9.373 1.00 0.00 C ATOM 434 CD GLN A 35 3.801 3.419 -10.897 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.299 2.448 -11.430 1.00 0.00 O ATOM 436 NE2 GLN A 35 3.355 4.407 -11.624 1.00 0.00 N ATOM 0 H GLN A 35 0.136 2.457 -8.116 1.00 0.00 H new ATOM 0 HA GLN A 35 2.459 1.031 -8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.593 3.215 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.888 3.986 -8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.986 4.488 -9.026 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.365 2.781 -8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.937 5.222 -11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.425 4.364 -12.641 1.00 0.00 H new ATOM 445 N HIS A 36 3.245 2.859 -6.328 1.00 0.00 N ATOM 446 CA HIS A 36 4.169 2.868 -5.156 1.00 0.00 C ATOM 447 C HIS A 36 3.888 1.667 -4.244 1.00 0.00 C ATOM 448 O HIS A 36 4.783 0.927 -3.888 1.00 0.00 O ATOM 449 CB HIS A 36 3.871 4.181 -4.434 1.00 0.00 C ATOM 450 CG HIS A 36 4.483 5.323 -5.198 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.737 5.234 -5.780 1.00 0.00 N ATOM 452 CD2 HIS A 36 4.023 6.583 -5.487 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.988 6.410 -6.385 1.00 0.00 C ATOM 454 NE2 HIS A 36 4.974 7.269 -6.237 1.00 0.00 N ATOM 0 H HIS A 36 2.733 3.727 -6.483 1.00 0.00 H new ATOM 0 HA HIS A 36 5.216 2.794 -5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.794 4.324 -4.346 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.272 4.151 -3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.068 6.982 -5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.897 6.632 -6.924 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.911 8.222 -6.596 1.00 0.00 H new ATOM 462 N ALA A 37 2.651 1.463 -3.869 1.00 0.00 N ATOM 463 CA ALA A 37 2.311 0.306 -2.987 1.00 0.00 C ATOM 464 C ALA A 37 2.942 -0.979 -3.538 1.00 0.00 C ATOM 465 O ALA A 37 3.510 -1.766 -2.808 1.00 0.00 O ATOM 466 CB ALA A 37 0.786 0.212 -3.029 1.00 0.00 C ATOM 0 H ALA A 37 1.860 2.049 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 37 2.684 0.436 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.455 -0.617 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.354 1.141 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.460 0.045 -4.056 1.00 0.00 H new ATOM 472 N GLN A 38 2.856 -1.188 -4.825 1.00 0.00 N ATOM 473 CA GLN A 38 3.463 -2.411 -5.422 1.00 0.00 C ATOM 474 C GLN A 38 4.960 -2.430 -5.119 1.00 0.00 C ATOM 475 O GLN A 38 5.554 -3.471 -4.919 1.00 0.00 O ATOM 476 CB GLN A 38 3.214 -2.291 -6.926 1.00 0.00 C ATOM 477 CG GLN A 38 1.951 -3.068 -7.298 1.00 0.00 C ATOM 478 CD GLN A 38 1.870 -3.214 -8.819 1.00 0.00 C ATOM 479 OE1 GLN A 38 2.855 -3.048 -9.510 1.00 0.00 O ATOM 480 NE2 GLN A 38 0.728 -3.522 -9.372 1.00 0.00 N ATOM 0 H GLN A 38 2.392 -0.565 -5.487 1.00 0.00 H new ATOM 0 HA GLN A 38 3.037 -3.332 -5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.104 -1.243 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.069 -2.680 -7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.965 -4.051 -6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.069 -2.548 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.099 -3.661 -8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.663 -3.623 -10.385 1.00 0.00 H new ATOM 489 N ASN A 39 5.571 -1.277 -5.064 1.00 0.00 N ATOM 490 CA ASN A 39 7.026 -1.214 -4.752 1.00 0.00 C ATOM 491 C ASN A 39 7.222 -1.057 -3.239 1.00 0.00 C ATOM 492 O ASN A 39 8.279 -0.680 -2.775 1.00 0.00 O ATOM 493 CB ASN A 39 7.539 0.021 -5.493 1.00 0.00 C ATOM 494 CG ASN A 39 8.278 -0.414 -6.759 1.00 0.00 C ATOM 495 OD1 ASN A 39 9.018 -1.379 -6.744 1.00 0.00 O ATOM 496 ND2 ASN A 39 8.109 0.261 -7.863 1.00 0.00 N ATOM 0 H ASN A 39 5.123 -0.374 -5.222 1.00 0.00 H new ATOM 0 HA ASN A 39 7.559 -2.115 -5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.706 0.675 -5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.206 0.594 -4.849 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.597 -0.021 -8.713 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.488 1.070 -7.876 1.00 0.00 H new ATOM 503 N LEU A 40 6.203 -1.346 -2.469 1.00 0.00 N ATOM 504 CA LEU A 40 6.311 -1.223 -0.989 1.00 0.00 C ATOM 505 C LEU A 40 6.741 0.189 -0.589 1.00 0.00 C ATOM 506 O LEU A 40 7.300 0.401 0.470 1.00 0.00 O ATOM 507 CB LEU A 40 7.364 -2.251 -0.573 1.00 0.00 C ATOM 508 CG LEU A 40 6.712 -3.631 -0.463 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.670 -4.288 -1.844 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.528 -4.505 0.492 1.00 0.00 C ATOM 0 H LEU A 40 5.295 -1.664 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 40 5.354 -1.403 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.172 -2.276 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.806 -1.969 0.382 1.00 0.00 H new ATOM 0 HG LEU A 40 5.697 -3.523 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.206 -5.271 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.090 -3.666 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.685 -4.396 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.064 -5.488 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.543 -4.612 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.558 -4.038 1.476 1.00 0.00 H new ATOM 522 N GLU A 41 6.467 1.162 -1.413 1.00 0.00 N ATOM 523 CA GLU A 41 6.845 2.559 -1.057 1.00 0.00 C ATOM 524 C GLU A 41 5.965 3.034 0.100 1.00 0.00 C ATOM 525 O GLU A 41 6.436 3.594 1.069 1.00 0.00 O ATOM 526 CB GLU A 41 6.571 3.382 -2.317 1.00 0.00 C ATOM 527 CG GLU A 41 7.833 3.427 -3.181 1.00 0.00 C ATOM 528 CD GLU A 41 8.860 4.358 -2.536 1.00 0.00 C ATOM 529 OE1 GLU A 41 8.450 5.255 -1.818 1.00 0.00 O ATOM 530 OE2 GLU A 41 10.041 4.159 -2.771 1.00 0.00 O ATOM 0 H GLU A 41 6.000 1.052 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 41 7.884 2.650 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.748 2.942 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.267 4.393 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.250 2.426 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.588 3.777 -4.184 1.00 0.00 H new ATOM 537 N PHE A 42 4.687 2.790 0.004 1.00 0.00 N ATOM 538 CA PHE A 42 3.750 3.197 1.090 1.00 0.00 C ATOM 539 C PHE A 42 3.973 4.652 1.498 1.00 0.00 C ATOM 540 O PHE A 42 4.774 5.349 0.914 1.00 0.00 O ATOM 541 CB PHE A 42 4.063 2.259 2.254 1.00 0.00 C ATOM 542 CG PHE A 42 3.314 0.962 2.072 1.00 0.00 C ATOM 543 CD1 PHE A 42 1.937 0.979 1.753 1.00 0.00 C ATOM 544 CD2 PHE A 42 3.988 -0.270 2.221 1.00 0.00 C ATOM 545 CE1 PHE A 42 1.235 -0.235 1.586 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.285 -1.485 2.052 1.00 0.00 C ATOM 547 CZ PHE A 42 1.909 -1.466 1.735 1.00 0.00 C ATOM 0 H PHE A 42 4.247 2.321 -0.788 1.00 0.00 H new ATOM 0 HA PHE A 42 2.710 3.128 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.135 2.068 2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.779 2.726 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.421 1.921 1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.040 -0.284 2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.182 -0.221 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.800 -2.427 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.372 -2.394 1.606 1.00 0.00 H new ATOM 557 N GLU A 43 3.230 5.100 2.484 1.00 0.00 N ATOM 558 CA GLU A 43 3.311 6.509 2.976 1.00 0.00 C ATOM 559 C GLU A 43 2.818 7.446 1.882 1.00 0.00 C ATOM 560 O GLU A 43 1.818 8.119 2.020 1.00 0.00 O ATOM 561 CB GLU A 43 4.783 6.776 3.315 1.00 0.00 C ATOM 562 CG GLU A 43 4.941 8.238 3.734 1.00 0.00 C ATOM 563 CD GLU A 43 6.427 8.600 3.776 1.00 0.00 C ATOM 564 OE1 GLU A 43 7.072 8.491 2.747 1.00 0.00 O ATOM 565 OE2 GLU A 43 6.894 8.980 4.838 1.00 0.00 O ATOM 0 H GLU A 43 2.550 4.526 2.982 1.00 0.00 H new ATOM 0 HA GLU A 43 2.691 6.672 3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.110 6.117 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.413 6.562 2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.418 8.887 3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.489 8.397 4.713 1.00 0.00 H new ATOM 572 N GLU A 44 3.505 7.464 0.791 1.00 0.00 N ATOM 573 CA GLU A 44 3.090 8.322 -0.351 1.00 0.00 C ATOM 574 C GLU A 44 2.007 7.608 -1.167 1.00 0.00 C ATOM 575 O GLU A 44 1.147 8.230 -1.757 1.00 0.00 O ATOM 576 CB GLU A 44 4.360 8.528 -1.184 1.00 0.00 C ATOM 577 CG GLU A 44 4.820 7.193 -1.777 1.00 0.00 C ATOM 578 CD GLU A 44 5.995 7.435 -2.727 1.00 0.00 C ATOM 579 OE1 GLU A 44 5.746 7.823 -3.857 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.121 7.230 -2.309 1.00 0.00 O ATOM 0 H GLU A 44 4.350 6.916 0.631 1.00 0.00 H new ATOM 0 HA GLU A 44 2.670 9.274 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.168 9.244 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.149 8.950 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.117 6.512 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.998 6.718 -2.312 1.00 0.00 H new ATOM 587 N ALA A 45 2.056 6.301 -1.212 1.00 0.00 N ATOM 588 CA ALA A 45 1.043 5.538 -1.998 1.00 0.00 C ATOM 589 C ALA A 45 -0.260 5.378 -1.211 1.00 0.00 C ATOM 590 O ALA A 45 -1.339 5.572 -1.735 1.00 0.00 O ATOM 591 CB ALA A 45 1.683 4.171 -2.236 1.00 0.00 C ATOM 0 H ALA A 45 2.755 5.730 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 45 0.785 6.049 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.000 3.545 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.613 4.296 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.892 3.696 -1.278 1.00 0.00 H new ATOM 597 N ALA A 46 -0.170 5.007 0.035 1.00 0.00 N ATOM 598 CA ALA A 46 -1.408 4.813 0.844 1.00 0.00 C ATOM 599 C ALA A 46 -2.029 6.158 1.226 1.00 0.00 C ATOM 600 O ALA A 46 -3.192 6.235 1.562 1.00 0.00 O ATOM 601 CB ALA A 46 -0.952 4.048 2.085 1.00 0.00 C ATOM 0 H ALA A 46 0.705 4.830 0.529 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.176 4.272 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.808 3.865 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.514 3.096 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.208 4.636 2.622 1.00 0.00 H new ATOM 607 N GLN A 47 -1.274 7.219 1.176 1.00 0.00 N ATOM 608 CA GLN A 47 -1.847 8.549 1.537 1.00 0.00 C ATOM 609 C GLN A 47 -2.789 9.037 0.432 1.00 0.00 C ATOM 610 O GLN A 47 -3.621 9.896 0.646 1.00 0.00 O ATOM 611 CB GLN A 47 -0.645 9.483 1.665 1.00 0.00 C ATOM 612 CG GLN A 47 -0.175 9.514 3.121 1.00 0.00 C ATOM 613 CD GLN A 47 -1.129 10.378 3.947 1.00 0.00 C ATOM 614 OE1 GLN A 47 -1.831 11.212 3.411 1.00 0.00 O ATOM 615 NE2 GLN A 47 -1.183 10.214 5.241 1.00 0.00 N ATOM 0 H GLN A 47 -0.291 7.226 0.903 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.429 8.508 2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.164 9.143 1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.915 10.487 1.337 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.142 8.502 3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.837 9.914 3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.594 9.514 5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.815 10.786 5.802 1.00 0.00 H new ATOM 624 N ILE A 48 -2.661 8.501 -0.753 1.00 0.00 N ATOM 625 CA ILE A 48 -3.545 8.940 -1.871 1.00 0.00 C ATOM 626 C ILE A 48 -4.981 8.457 -1.647 1.00 0.00 C ATOM 627 O ILE A 48 -5.927 9.083 -2.081 1.00 0.00 O ATOM 628 CB ILE A 48 -2.950 8.292 -3.122 1.00 0.00 C ATOM 629 CG1 ILE A 48 -1.499 8.750 -3.294 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.764 8.706 -4.350 1.00 0.00 C ATOM 631 CD1 ILE A 48 -1.449 10.276 -3.405 1.00 0.00 C ATOM 0 H ILE A 48 -1.983 7.779 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.591 10.026 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.979 7.208 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.900 8.418 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.068 8.297 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.339 8.244 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.797 8.379 -4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.737 9.790 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.415 10.598 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.034 10.597 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.863 10.720 -2.500 1.00 0.00 H new ATOM 643 N ARG A 49 -5.157 7.347 -0.977 1.00 0.00 N ATOM 644 CA ARG A 49 -6.539 6.839 -0.738 1.00 0.00 C ATOM 645 C ARG A 49 -7.403 7.938 -0.108 1.00 0.00 C ATOM 646 O ARG A 49 -8.606 7.967 -0.273 1.00 0.00 O ATOM 647 CB ARG A 49 -6.377 5.658 0.224 1.00 0.00 C ATOM 648 CG ARG A 49 -5.846 6.151 1.571 1.00 0.00 C ATOM 649 CD ARG A 49 -7.017 6.397 2.525 1.00 0.00 C ATOM 650 NE ARG A 49 -6.518 7.415 3.491 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.152 7.616 4.613 1.00 0.00 C ATOM 652 NH1 ARG A 49 -8.453 7.509 4.654 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.488 7.923 5.694 1.00 0.00 N ATOM 0 H ARG A 49 -4.408 6.774 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.032 6.538 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.335 5.157 0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.692 4.924 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.165 5.414 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.276 7.070 1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.894 6.758 1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.311 5.479 3.035 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.680 7.955 3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.972 7.269 3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.950 7.666 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.472 8.006 5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.985 8.080 6.571 1.00 0.00 H new ATOM 667 N ASP A 50 -6.793 8.845 0.605 1.00 0.00 N ATOM 668 CA ASP A 50 -7.575 9.945 1.238 1.00 0.00 C ATOM 669 C ASP A 50 -7.901 11.015 0.195 1.00 0.00 C ATOM 670 O ASP A 50 -8.963 11.604 0.205 1.00 0.00 O ATOM 671 CB ASP A 50 -6.658 10.512 2.322 1.00 0.00 C ATOM 672 CG ASP A 50 -7.481 10.829 3.572 1.00 0.00 C ATOM 673 OD1 ASP A 50 -8.336 10.029 3.913 1.00 0.00 O ATOM 674 OD2 ASP A 50 -7.240 11.867 4.167 1.00 0.00 O ATOM 0 H ASP A 50 -5.788 8.872 0.777 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.522 9.599 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.874 9.794 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.164 11.414 1.960 1.00 0.00 H new ATOM 679 N GLN A 51 -6.995 11.266 -0.711 1.00 0.00 N ATOM 680 CA GLN A 51 -7.253 12.293 -1.759 1.00 0.00 C ATOM 681 C GLN A 51 -8.351 11.808 -2.709 1.00 0.00 C ATOM 682 O GLN A 51 -9.140 12.585 -3.210 1.00 0.00 O ATOM 683 CB GLN A 51 -5.925 12.443 -2.504 1.00 0.00 C ATOM 684 CG GLN A 51 -4.834 12.872 -1.521 1.00 0.00 C ATOM 685 CD GLN A 51 -3.494 12.964 -2.253 1.00 0.00 C ATOM 686 OE1 GLN A 51 -2.476 12.551 -1.734 1.00 0.00 O ATOM 687 NE2 GLN A 51 -3.451 13.492 -3.445 1.00 0.00 N ATOM 0 H GLN A 51 -6.088 10.804 -0.770 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.591 13.240 -1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.653 11.500 -2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.024 13.182 -3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.086 13.836 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.765 12.155 -0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.306 13.839 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.563 13.558 -3.942 1.00 0.00 H new ATOM 696 N LEU A 52 -8.408 10.528 -2.959 1.00 0.00 N ATOM 697 CA LEU A 52 -9.458 9.994 -3.873 1.00 0.00 C ATOM 698 C LEU A 52 -10.843 10.443 -3.399 1.00 0.00 C ATOM 699 O LEU A 52 -11.621 10.990 -4.154 1.00 0.00 O ATOM 700 CB LEU A 52 -9.327 8.472 -3.784 1.00 0.00 C ATOM 701 CG LEU A 52 -8.783 7.922 -5.105 1.00 0.00 C ATOM 702 CD1 LEU A 52 -8.708 6.396 -5.029 1.00 0.00 C ATOM 703 CD2 LEU A 52 -9.714 8.328 -6.251 1.00 0.00 C ATOM 0 H LEU A 52 -7.774 9.830 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.338 10.352 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.661 8.202 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.297 8.026 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.787 8.328 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.321 6.003 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.046 6.104 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.704 5.991 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.326 7.936 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.710 7.922 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.770 9.415 -6.307 1.00 0.00 H new ATOM 715 N HIS A 53 -11.153 10.216 -2.152 1.00 0.00 N ATOM 716 CA HIS A 53 -12.486 10.632 -1.629 1.00 0.00 C ATOM 717 C HIS A 53 -12.560 12.157 -1.530 1.00 0.00 C ATOM 718 O HIS A 53 -13.577 12.760 -1.810 1.00 0.00 O ATOM 719 CB HIS A 53 -12.582 9.999 -0.240 1.00 0.00 C ATOM 720 CG HIS A 53 -12.836 8.523 -0.376 1.00 0.00 C ATOM 721 ND1 HIS A 53 -11.817 7.587 -0.295 1.00 0.00 N ATOM 722 CD2 HIS A 53 -13.987 7.806 -0.589 1.00 0.00 C ATOM 723 CE1 HIS A 53 -12.370 6.371 -0.458 1.00 0.00 C ATOM 724 NE2 HIS A 53 -13.690 6.447 -0.639 1.00 0.00 N ATOM 0 H HIS A 53 -10.542 9.761 -1.473 1.00 0.00 H new ATOM 0 HA HIS A 53 -13.302 10.315 -2.278 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.659 10.170 0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.386 10.466 0.329 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -10.828 7.784 -0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.973 8.232 -0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.813 5.446 -0.444 1.00 0.00 H new ATOM 732 N GLN A 54 -11.486 12.787 -1.137 1.00 0.00 N ATOM 733 CA GLN A 54 -11.493 14.273 -1.024 1.00 0.00 C ATOM 734 C GLN A 54 -11.778 14.903 -2.389 1.00 0.00 C ATOM 735 O GLN A 54 -12.553 15.832 -2.506 1.00 0.00 O ATOM 736 CB GLN A 54 -10.088 14.641 -0.545 1.00 0.00 C ATOM 737 CG GLN A 54 -10.166 15.856 0.381 1.00 0.00 C ATOM 738 CD GLN A 54 -8.804 16.554 0.423 1.00 0.00 C ATOM 739 OE1 GLN A 54 -8.409 17.196 -0.530 1.00 0.00 O ATOM 740 NE2 GLN A 54 -8.067 16.455 1.494 1.00 0.00 N ATOM 0 H GLN A 54 -10.605 12.337 -0.890 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.262 14.633 -0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.639 13.798 -0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.447 14.862 -1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.930 16.548 0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.458 15.544 1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.399 15.916 2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.158 16.917 1.532 1.00 0.00 H new ATOM 749 N LEU A 55 -11.159 14.403 -3.424 1.00 0.00 N ATOM 750 CA LEU A 55 -11.398 14.972 -4.782 1.00 0.00 C ATOM 751 C LEU A 55 -12.801 14.604 -5.268 1.00 0.00 C ATOM 752 O LEU A 55 -13.376 15.275 -6.101 1.00 0.00 O ATOM 753 CB LEU A 55 -10.335 14.328 -5.673 1.00 0.00 C ATOM 754 CG LEU A 55 -9.063 15.179 -5.649 1.00 0.00 C ATOM 755 CD1 LEU A 55 -8.121 14.658 -4.564 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.369 15.094 -7.010 1.00 0.00 C ATOM 0 H LEU A 55 -10.499 13.626 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.334 16.060 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.116 13.319 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.706 14.239 -6.694 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.323 16.216 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.215 15.264 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.615 14.717 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.860 13.621 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.463 15.700 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.109 14.057 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.040 15.465 -7.785 1.00 0.00 H new ATOM 768 N ARG A 56 -13.358 13.543 -4.751 1.00 0.00 N ATOM 769 CA ARG A 56 -14.725 13.132 -5.182 1.00 0.00 C ATOM 770 C ARG A 56 -15.728 14.252 -4.893 1.00 0.00 C ATOM 771 O ARG A 56 -16.452 14.690 -5.765 1.00 0.00 O ATOM 772 CB ARG A 56 -15.048 11.893 -4.346 1.00 0.00 C ATOM 773 CG ARG A 56 -16.394 11.315 -4.788 1.00 0.00 C ATOM 774 CD ARG A 56 -17.071 10.632 -3.597 1.00 0.00 C ATOM 775 NE ARG A 56 -18.473 10.389 -4.040 1.00 0.00 N ATOM 776 CZ ARG A 56 -19.466 10.914 -3.377 1.00 0.00 C ATOM 777 NH1 ARG A 56 -20.324 10.141 -2.768 1.00 0.00 N ATOM 778 NH2 ARG A 56 -19.602 12.211 -3.321 1.00 0.00 N ATOM 0 H ARG A 56 -12.926 12.943 -4.049 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.778 12.926 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.263 11.146 -4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.082 12.154 -3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -17.032 12.108 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.247 10.599 -5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.570 9.698 -3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.041 11.264 -2.710 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.656 9.812 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -20.217 9.127 -2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -21.101 10.551 -2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.931 12.815 -3.796 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.379 12.620 -2.802 1.00 0.00 H new ATOM 792 N GLU A 57 -15.774 14.720 -3.675 1.00 0.00 N ATOM 793 CA GLU A 57 -16.729 15.813 -3.333 1.00 0.00 C ATOM 794 C GLU A 57 -16.397 17.073 -4.135 1.00 0.00 C ATOM 795 O GLU A 57 -17.238 17.923 -4.353 1.00 0.00 O ATOM 796 CB GLU A 57 -16.529 16.060 -1.838 1.00 0.00 C ATOM 797 CG GLU A 57 -15.060 16.389 -1.565 1.00 0.00 C ATOM 798 CD GLU A 57 -14.938 17.105 -0.219 1.00 0.00 C ATOM 799 OE1 GLU A 57 -15.139 16.457 0.795 1.00 0.00 O ATOM 800 OE2 GLU A 57 -14.646 18.290 -0.225 1.00 0.00 O ATOM 0 H GLU A 57 -15.193 14.393 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.760 15.550 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.164 16.882 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.826 15.178 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.467 15.474 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.664 17.019 -2.361 1.00 0.00 H new ATOM 807 N LEU A 58 -15.176 17.200 -4.579 1.00 0.00 N ATOM 808 CA LEU A 58 -14.790 18.405 -5.369 1.00 0.00 C ATOM 809 C LEU A 58 -15.441 18.358 -6.755 1.00 0.00 C ATOM 810 O LEU A 58 -15.609 19.370 -7.407 1.00 0.00 O ATOM 811 CB LEU A 58 -13.268 18.328 -5.490 1.00 0.00 C ATOM 812 CG LEU A 58 -12.677 19.735 -5.386 1.00 0.00 C ATOM 813 CD1 LEU A 58 -11.529 19.734 -4.373 1.00 0.00 C ATOM 814 CD2 LEU A 58 -12.146 20.166 -6.756 1.00 0.00 C ATOM 0 H LEU A 58 -14.429 16.522 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.115 19.331 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.862 17.692 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.990 17.875 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.450 20.430 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.108 20.737 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.905 19.425 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.756 19.039 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.724 21.169 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.373 19.470 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.962 20.167 -7.479 1.00 0.00 H new ATOM 826 N PHE A 59 -15.812 17.191 -7.206 1.00 0.00 N ATOM 827 CA PHE A 59 -16.452 17.081 -8.549 1.00 0.00 C ATOM 828 C PHE A 59 -17.646 18.035 -8.645 1.00 0.00 C ATOM 829 O PHE A 59 -17.800 18.756 -9.611 1.00 0.00 O ATOM 830 CB PHE A 59 -16.918 15.627 -8.646 1.00 0.00 C ATOM 831 CG PHE A 59 -17.652 15.418 -9.949 1.00 0.00 C ATOM 832 CD1 PHE A 59 -19.039 15.676 -10.027 1.00 0.00 C ATOM 833 CD2 PHE A 59 -16.952 14.966 -11.090 1.00 0.00 C ATOM 834 CE1 PHE A 59 -19.726 15.480 -11.246 1.00 0.00 C ATOM 835 CE2 PHE A 59 -17.639 14.770 -12.309 1.00 0.00 C ATOM 836 CZ PHE A 59 -19.026 15.028 -12.387 1.00 0.00 C ATOM 0 H PHE A 59 -15.700 16.310 -6.704 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.769 17.345 -9.356 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -16.062 14.955 -8.587 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.570 15.386 -7.806 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -19.574 16.023 -9.155 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.892 14.770 -11.030 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -20.786 15.676 -11.306 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -17.104 14.423 -13.181 1.00 0.00 H new ATOM 0 HZ PHE A 59 -19.551 14.880 -13.319 1.00 0.00 H new ATOM 846 N ILE A 60 -18.492 18.045 -7.651 1.00 0.00 N ATOM 847 CA ILE A 60 -19.674 18.954 -7.687 1.00 0.00 C ATOM 848 C ILE A 60 -19.219 20.413 -7.621 1.00 0.00 C ATOM 849 O ILE A 60 -19.642 21.242 -8.404 1.00 0.00 O ATOM 850 CB ILE A 60 -20.491 18.589 -6.449 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.882 17.111 -6.513 1.00 0.00 C ATOM 852 CG2 ILE A 60 -21.755 19.448 -6.400 1.00 0.00 C ATOM 853 CD1 ILE A 60 -20.884 16.521 -5.101 1.00 0.00 C ATOM 0 H ILE A 60 -18.416 17.464 -6.816 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.254 18.844 -8.604 1.00 0.00 H new ATOM 0 HB ILE A 60 -19.894 18.769 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.868 17.004 -6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.181 16.566 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.338 19.187 -5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.478 20.501 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.352 19.269 -7.294 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.163 15.468 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.889 16.614 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.602 17.060 -4.483 1.00 0.00 H new ATOM 865 N ALA A 61 -18.358 20.736 -6.694 1.00 0.00 N ATOM 866 CA ALA A 61 -17.878 22.143 -6.579 1.00 0.00 C ATOM 867 C ALA A 61 -17.290 22.609 -7.914 1.00 0.00 C ATOM 868 O ALA A 61 -17.244 23.789 -8.204 1.00 0.00 O ATOM 869 CB ALA A 61 -16.795 22.104 -5.500 1.00 0.00 C ATOM 0 H ALA A 61 -17.966 20.087 -6.012 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.681 22.836 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.390 23.105 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -17.226 21.748 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.996 21.431 -5.810 1.00 0.00 H new ATOM 875 N ALA A 62 -16.840 21.694 -8.727 1.00 0.00 N ATOM 876 CA ALA A 62 -16.256 22.086 -10.042 1.00 0.00 C ATOM 877 C ALA A 62 -17.337 22.069 -11.127 1.00 0.00 C ATOM 878 O ALA A 62 -17.758 23.100 -11.613 1.00 0.00 O ATOM 879 CB ALA A 62 -15.189 21.030 -10.332 1.00 0.00 C ATOM 0 H ALA A 62 -16.851 20.692 -8.538 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.839 23.093 -10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.711 21.249 -11.287 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.440 21.042 -9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.654 20.045 -10.376 1.00 0.00 H new ATOM 885 N SER A 63 -17.789 20.907 -11.509 1.00 0.00 N ATOM 886 CA SER A 63 -18.842 20.825 -12.561 1.00 0.00 C ATOM 887 C SER A 63 -19.565 19.477 -12.484 1.00 0.00 C ATOM 888 O SER A 63 -19.012 18.564 -11.893 1.00 0.00 O ATOM 889 CB SER A 63 -18.090 20.954 -13.884 1.00 0.00 C ATOM 890 OG SER A 63 -17.891 22.330 -14.179 1.00 0.00 O ATOM 891 OXT SER A 63 -20.658 19.382 -13.016 1.00 0.00 O ATOM 0 H SER A 63 -17.475 20.010 -11.138 1.00 0.00 H new ATOM 0 HA SER A 63 -19.601 21.599 -12.446 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.130 20.441 -13.821 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.655 20.477 -14.685 1.00 0.00 H new ATOM 0 HG SER A 63 -17.924 22.851 -13.349 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 26.163 -14.536 14.908 1.00 0.00 N ATOM 899 CA LEU B 8 27.630 -14.384 14.688 1.00 0.00 C ATOM 900 C LEU B 8 27.896 -13.734 13.327 1.00 0.00 C ATOM 901 O LEU B 8 28.854 -14.057 12.652 1.00 0.00 O ATOM 902 CB LEU B 8 28.186 -15.808 14.721 1.00 0.00 C ATOM 903 CG LEU B 8 29.605 -15.788 15.292 1.00 0.00 C ATOM 904 CD1 LEU B 8 29.540 -15.764 16.820 1.00 0.00 C ATOM 905 CD2 LEU B 8 30.354 -17.042 14.835 1.00 0.00 C ATOM 0 HA LEU B 8 28.097 -13.748 15.440 1.00 0.00 H new ATOM 0 HB2 LEU B 8 27.546 -16.446 15.331 1.00 0.00 H new ATOM 0 HB3 LEU B 8 28.193 -16.231 13.716 1.00 0.00 H new ATOM 0 HG LEU B 8 30.128 -14.900 14.936 1.00 0.00 H new ATOM 0 HD11 LEU B 8 30.551 -15.750 17.227 1.00 0.00 H new ATOM 0 HD12 LEU B 8 29.004 -14.873 17.147 1.00 0.00 H new ATOM 0 HD13 LEU B 8 29.018 -16.652 17.176 1.00 0.00 H new ATOM 0 HD21 LEU B 8 31.366 -17.030 15.241 1.00 0.00 H new ATOM 0 HD22 LEU B 8 29.830 -17.929 15.192 1.00 0.00 H new ATOM 0 HD23 LEU B 8 30.400 -17.062 13.746 1.00 0.00 H new ATOM 917 N GLU B 9 27.056 -12.823 12.920 1.00 0.00 N ATOM 918 CA GLU B 9 27.260 -12.155 11.602 1.00 0.00 C ATOM 919 C GLU B 9 27.411 -13.204 10.492 1.00 0.00 C ATOM 920 O GLU B 9 28.386 -13.201 9.769 1.00 0.00 O ATOM 921 CB GLU B 9 28.553 -11.354 11.760 1.00 0.00 C ATOM 922 CG GLU B 9 28.218 -9.917 12.162 1.00 0.00 C ATOM 923 CD GLU B 9 29.299 -9.384 13.105 1.00 0.00 C ATOM 924 OE1 GLU B 9 30.457 -9.700 12.885 1.00 0.00 O ATOM 925 OE2 GLU B 9 28.951 -8.669 14.029 1.00 0.00 O ATOM 0 H GLU B 9 26.237 -12.512 13.442 1.00 0.00 H new ATOM 0 HA GLU B 9 26.417 -11.521 11.327 1.00 0.00 H new ATOM 0 HB2 GLU B 9 29.189 -11.815 12.516 1.00 0.00 H new ATOM 0 HB3 GLU B 9 29.113 -11.360 10.825 1.00 0.00 H new ATOM 0 HG2 GLU B 9 28.151 -9.287 11.275 1.00 0.00 H new ATOM 0 HG3 GLU B 9 27.245 -9.883 12.651 1.00 0.00 H new ATOM 932 N PRO B 10 26.434 -14.074 10.393 1.00 0.00 N ATOM 933 CA PRO B 10 26.471 -15.136 9.356 1.00 0.00 C ATOM 934 C PRO B 10 26.203 -14.539 7.972 1.00 0.00 C ATOM 935 O PRO B 10 26.897 -14.828 7.019 1.00 0.00 O ATOM 936 CB PRO B 10 25.343 -16.079 9.769 1.00 0.00 C ATOM 937 CG PRO B 10 24.401 -15.234 10.565 1.00 0.00 C ATOM 938 CD PRO B 10 25.222 -14.153 11.221 1.00 0.00 C ATOM 0 HA PRO B 10 27.436 -15.638 9.289 1.00 0.00 H new ATOM 0 HB2 PRO B 10 24.848 -16.507 8.897 1.00 0.00 H new ATOM 0 HB3 PRO B 10 25.722 -16.912 10.361 1.00 0.00 H new ATOM 0 HG2 PRO B 10 23.636 -14.800 9.922 1.00 0.00 H new ATOM 0 HG3 PRO B 10 23.885 -15.834 11.314 1.00 0.00 H new ATOM 0 HD2 PRO B 10 24.689 -13.203 11.239 1.00 0.00 H new ATOM 0 HD3 PRO B 10 25.460 -14.405 12.254 1.00 0.00 H new ATOM 946 N ASP B 11 25.200 -13.706 7.859 1.00 0.00 N ATOM 947 CA ASP B 11 24.872 -13.080 6.541 1.00 0.00 C ATOM 948 C ASP B 11 24.553 -14.158 5.501 1.00 0.00 C ATOM 949 O ASP B 11 23.405 -14.462 5.242 1.00 0.00 O ATOM 950 CB ASP B 11 26.122 -12.290 6.135 1.00 0.00 C ATOM 951 CG ASP B 11 25.882 -10.798 6.373 1.00 0.00 C ATOM 952 OD1 ASP B 11 24.771 -10.352 6.139 1.00 0.00 O ATOM 953 OD2 ASP B 11 26.813 -10.127 6.787 1.00 0.00 O ATOM 0 H ASP B 11 24.590 -13.430 8.628 1.00 0.00 H new ATOM 0 HA ASP B 11 23.995 -12.436 6.607 1.00 0.00 H new ATOM 0 HB2 ASP B 11 26.982 -12.628 6.713 1.00 0.00 H new ATOM 0 HB3 ASP B 11 26.353 -12.469 5.085 1.00 0.00 H new ATOM 958 N ASN B 12 25.556 -14.737 4.904 1.00 0.00 N ATOM 959 CA ASN B 12 25.308 -15.794 3.883 1.00 0.00 C ATOM 960 C ASN B 12 26.512 -16.737 3.794 1.00 0.00 C ATOM 961 O ASN B 12 26.717 -17.405 2.799 1.00 0.00 O ATOM 962 CB ASN B 12 25.120 -15.038 2.567 1.00 0.00 C ATOM 963 CG ASN B 12 26.382 -14.228 2.259 1.00 0.00 C ATOM 964 OD1 ASN B 12 26.464 -13.061 2.588 1.00 0.00 O ATOM 965 ND2 ASN B 12 27.375 -14.802 1.638 1.00 0.00 N ATOM 0 H ASN B 12 26.538 -14.524 5.078 1.00 0.00 H new ATOM 0 HA ASN B 12 24.441 -16.408 4.127 1.00 0.00 H new ATOM 0 HB2 ASN B 12 24.919 -15.740 1.758 1.00 0.00 H new ATOM 0 HB3 ASN B 12 24.257 -14.375 2.636 1.00 0.00 H new ATOM 0 HD21 ASN B 12 28.221 -14.271 1.428 1.00 0.00 H new ATOM 0 HD22 ASN B 12 27.306 -15.782 1.362 1.00 0.00 H new ATOM 972 N VAL B 13 27.310 -16.795 4.825 1.00 0.00 N ATOM 973 CA VAL B 13 28.500 -17.693 4.797 1.00 0.00 C ATOM 974 C VAL B 13 28.122 -19.099 5.311 1.00 0.00 C ATOM 975 O VAL B 13 28.455 -20.085 4.685 1.00 0.00 O ATOM 976 CB VAL B 13 29.543 -16.987 5.691 1.00 0.00 C ATOM 977 CG1 VAL B 13 30.491 -17.998 6.351 1.00 0.00 C ATOM 978 CG2 VAL B 13 30.368 -16.030 4.826 1.00 0.00 C ATOM 0 H VAL B 13 27.190 -16.260 5.685 1.00 0.00 H new ATOM 0 HA VAL B 13 28.896 -17.853 3.794 1.00 0.00 H new ATOM 0 HB VAL B 13 29.014 -16.447 6.476 1.00 0.00 H new ATOM 0 HG11 VAL B 13 31.212 -17.468 6.973 1.00 0.00 H new ATOM 0 HG12 VAL B 13 29.915 -18.687 6.969 1.00 0.00 H new ATOM 0 HG13 VAL B 13 31.020 -18.558 5.580 1.00 0.00 H new ATOM 0 HG21 VAL B 13 31.108 -15.525 5.447 1.00 0.00 H new ATOM 0 HG22 VAL B 13 30.875 -16.593 4.042 1.00 0.00 H new ATOM 0 HG23 VAL B 13 29.709 -15.290 4.373 1.00 0.00 H new ATOM 988 N PRO B 14 27.442 -19.154 6.432 1.00 0.00 N ATOM 989 CA PRO B 14 27.037 -20.456 6.997 1.00 0.00 C ATOM 990 C PRO B 14 25.756 -20.956 6.323 1.00 0.00 C ATOM 991 O PRO B 14 25.788 -21.842 5.493 1.00 0.00 O ATOM 992 CB PRO B 14 26.801 -20.147 8.473 1.00 0.00 C ATOM 993 CG PRO B 14 26.490 -18.681 8.537 1.00 0.00 C ATOM 994 CD PRO B 14 26.989 -18.035 7.266 1.00 0.00 C ATOM 0 HA PRO B 14 27.779 -21.241 6.848 1.00 0.00 H new ATOM 0 HB2 PRO B 14 25.977 -20.740 8.870 1.00 0.00 H new ATOM 0 HB3 PRO B 14 27.682 -20.387 9.069 1.00 0.00 H new ATOM 0 HG2 PRO B 14 25.417 -18.525 8.646 1.00 0.00 H new ATOM 0 HG3 PRO B 14 26.968 -18.229 9.406 1.00 0.00 H new ATOM 0 HD2 PRO B 14 26.199 -17.468 6.773 1.00 0.00 H new ATOM 0 HD3 PRO B 14 27.802 -17.338 7.469 1.00 0.00 H new ATOM 1002 N MET B 15 24.631 -20.393 6.666 1.00 0.00 N ATOM 1003 CA MET B 15 23.353 -20.835 6.037 1.00 0.00 C ATOM 1004 C MET B 15 22.192 -19.969 6.535 1.00 0.00 C ATOM 1005 O MET B 15 22.321 -19.231 7.491 1.00 0.00 O ATOM 1006 CB MET B 15 23.168 -22.287 6.481 1.00 0.00 C ATOM 1007 CG MET B 15 22.959 -23.175 5.253 1.00 0.00 C ATOM 1008 SD MET B 15 23.453 -24.872 5.644 1.00 0.00 S ATOM 1009 CE MET B 15 23.657 -25.448 3.940 1.00 0.00 C ATOM 0 H MET B 15 24.540 -19.646 7.355 1.00 0.00 H new ATOM 0 HA MET B 15 23.376 -20.743 4.951 1.00 0.00 H new ATOM 0 HB2 MET B 15 24.042 -22.621 7.040 1.00 0.00 H new ATOM 0 HB3 MET B 15 22.312 -22.367 7.151 1.00 0.00 H new ATOM 0 HG2 MET B 15 21.913 -23.151 4.947 1.00 0.00 H new ATOM 0 HG3 MET B 15 23.545 -22.798 4.415 1.00 0.00 H new ATOM 0 HE1 MET B 15 23.966 -26.493 3.944 1.00 0.00 H new ATOM 0 HE2 MET B 15 22.711 -25.351 3.407 1.00 0.00 H new ATOM 0 HE3 MET B 15 24.417 -24.847 3.441 1.00 0.00 H new ATOM 1019 N ASP B 16 21.058 -20.054 5.894 1.00 0.00 N ATOM 1020 CA ASP B 16 19.892 -19.235 6.332 1.00 0.00 C ATOM 1021 C ASP B 16 18.727 -20.144 6.733 1.00 0.00 C ATOM 1022 O ASP B 16 17.575 -19.830 6.506 1.00 0.00 O ATOM 1023 CB ASP B 16 19.519 -18.393 5.111 1.00 0.00 C ATOM 1024 CG ASP B 16 20.552 -17.281 4.921 1.00 0.00 C ATOM 1025 OD1 ASP B 16 21.696 -17.494 5.290 1.00 0.00 O ATOM 1026 OD2 ASP B 16 20.182 -16.236 4.412 1.00 0.00 O ATOM 0 H ASP B 16 20.889 -20.654 5.087 1.00 0.00 H new ATOM 0 HA ASP B 16 20.124 -18.616 7.199 1.00 0.00 H new ATOM 0 HB2 ASP B 16 19.478 -19.022 4.221 1.00 0.00 H new ATOM 0 HB3 ASP B 16 18.526 -17.963 5.243 1.00 0.00 H new ATOM 1031 N MET B 17 19.016 -21.269 7.328 1.00 0.00 N ATOM 1032 CA MET B 17 17.923 -22.195 7.742 1.00 0.00 C ATOM 1033 C MET B 17 16.913 -21.456 8.625 1.00 0.00 C ATOM 1034 O MET B 17 15.745 -21.786 8.657 1.00 0.00 O ATOM 1035 CB MET B 17 18.620 -23.301 8.536 1.00 0.00 C ATOM 1036 CG MET B 17 19.320 -22.695 9.753 1.00 0.00 C ATOM 1037 SD MET B 17 20.660 -23.789 10.285 1.00 0.00 S ATOM 1038 CE MET B 17 20.197 -23.882 12.032 1.00 0.00 C ATOM 0 H MET B 17 19.960 -21.587 7.545 1.00 0.00 H new ATOM 0 HA MET B 17 17.371 -22.591 6.890 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.892 -24.047 8.856 1.00 0.00 H new ATOM 0 HB3 MET B 17 19.345 -23.814 7.905 1.00 0.00 H new ATOM 0 HG2 MET B 17 19.717 -21.711 9.505 1.00 0.00 H new ATOM 0 HG3 MET B 17 18.606 -22.556 10.565 1.00 0.00 H new ATOM 0 HE1 MET B 17 20.904 -24.520 12.562 1.00 0.00 H new ATOM 0 HE2 MET B 17 20.214 -22.882 12.467 1.00 0.00 H new ATOM 0 HE3 MET B 17 19.194 -24.300 12.121 1.00 0.00 H new ATOM 1048 N SER B 18 17.356 -20.456 9.340 1.00 0.00 N ATOM 1049 CA SER B 18 16.426 -19.691 10.223 1.00 0.00 C ATOM 1050 C SER B 18 15.726 -20.638 11.207 1.00 0.00 C ATOM 1051 O SER B 18 15.820 -21.842 11.077 1.00 0.00 O ATOM 1052 CB SER B 18 15.408 -19.053 9.276 1.00 0.00 C ATOM 1053 OG SER B 18 16.097 -18.412 8.209 1.00 0.00 O ATOM 0 H SER B 18 18.324 -20.135 9.351 1.00 0.00 H new ATOM 0 HA SER B 18 16.949 -18.944 10.820 1.00 0.00 H new ATOM 0 HB2 SER B 18 14.733 -19.813 8.884 1.00 0.00 H new ATOM 0 HB3 SER B 18 14.796 -18.330 9.815 1.00 0.00 H new ATOM 0 HG SER B 18 16.372 -19.081 7.548 1.00 0.00 H new ATOM 1059 N PRO B 19 15.045 -20.060 12.170 1.00 0.00 N ATOM 1060 CA PRO B 19 14.331 -20.863 13.183 1.00 0.00 C ATOM 1061 C PRO B 19 12.922 -21.251 12.708 1.00 0.00 C ATOM 1062 O PRO B 19 12.073 -21.610 13.498 1.00 0.00 O ATOM 1063 CB PRO B 19 14.267 -19.931 14.385 1.00 0.00 C ATOM 1064 CG PRO B 19 14.364 -18.538 13.829 1.00 0.00 C ATOM 1065 CD PRO B 19 14.885 -18.624 12.412 1.00 0.00 C ATOM 0 HA PRO B 19 14.829 -21.809 13.398 1.00 0.00 H new ATOM 0 HB2 PRO B 19 13.337 -20.068 14.937 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.082 -20.132 15.080 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.387 -18.055 13.845 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.030 -17.931 14.442 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.187 -18.177 11.704 1.00 0.00 H new ATOM 0 HD3 PRO B 19 15.832 -18.095 12.304 1.00 0.00 H new ATOM 1073 N LYS B 20 12.678 -21.201 11.422 1.00 0.00 N ATOM 1074 CA LYS B 20 11.333 -21.582 10.874 1.00 0.00 C ATOM 1075 C LYS B 20 10.231 -20.636 11.371 1.00 0.00 C ATOM 1076 O LYS B 20 9.657 -19.889 10.604 1.00 0.00 O ATOM 1077 CB LYS B 20 11.078 -23.012 11.365 1.00 0.00 C ATOM 1078 CG LYS B 20 9.964 -23.646 10.532 1.00 0.00 C ATOM 1079 CD LYS B 20 8.619 -23.430 11.227 1.00 0.00 C ATOM 1080 CE LYS B 20 7.694 -24.612 10.932 1.00 0.00 C ATOM 1081 NZ LYS B 20 6.609 -24.515 11.948 1.00 0.00 N ATOM 0 H LYS B 20 13.358 -20.910 10.719 1.00 0.00 H new ATOM 0 HA LYS B 20 11.321 -21.514 9.786 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.990 -23.604 11.283 1.00 0.00 H new ATOM 0 HB3 LYS B 20 10.798 -23.002 12.418 1.00 0.00 H new ATOM 0 HG2 LYS B 20 9.945 -23.205 9.535 1.00 0.00 H new ATOM 0 HG3 LYS B 20 10.152 -24.712 10.405 1.00 0.00 H new ATOM 0 HD2 LYS B 20 8.766 -23.330 12.302 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.163 -22.503 10.879 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.293 -24.557 9.920 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.227 -25.560 11.012 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.934 -25.294 11.810 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 7.020 -24.578 12.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.115 -23.606 11.843 1.00 0.00 H new ATOM 1095 N ALA B 21 9.918 -20.673 12.641 1.00 0.00 N ATOM 1096 CA ALA B 21 8.840 -19.786 13.184 1.00 0.00 C ATOM 1097 C ALA B 21 8.998 -18.351 12.669 1.00 0.00 C ATOM 1098 O ALA B 21 8.051 -17.733 12.224 1.00 0.00 O ATOM 1099 CB ALA B 21 9.021 -19.830 14.701 1.00 0.00 C ATOM 0 H ALA B 21 10.363 -21.281 13.329 1.00 0.00 H new ATOM 0 HA ALA B 21 7.849 -20.118 12.874 1.00 0.00 H new ATOM 0 HB1 ALA B 21 8.266 -19.203 15.176 1.00 0.00 H new ATOM 0 HB2 ALA B 21 8.912 -20.857 15.051 1.00 0.00 H new ATOM 0 HB3 ALA B 21 10.014 -19.462 14.960 1.00 0.00 H new ATOM 1105 N LEU B 22 10.187 -17.821 12.720 1.00 0.00 N ATOM 1106 CA LEU B 22 10.407 -16.431 12.227 1.00 0.00 C ATOM 1107 C LEU B 22 10.532 -16.446 10.707 1.00 0.00 C ATOM 1108 O LEU B 22 9.988 -15.610 10.014 1.00 0.00 O ATOM 1109 CB LEU B 22 11.723 -15.984 12.863 1.00 0.00 C ATOM 1110 CG LEU B 22 11.485 -15.621 14.329 1.00 0.00 C ATOM 1111 CD1 LEU B 22 11.179 -16.890 15.122 1.00 0.00 C ATOM 1112 CD2 LEU B 22 12.740 -14.955 14.898 1.00 0.00 C ATOM 0 H LEU B 22 11.018 -18.289 13.082 1.00 0.00 H new ATOM 0 HA LEU B 22 9.587 -15.761 12.485 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.463 -16.781 12.790 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.125 -15.125 12.326 1.00 0.00 H new ATOM 0 HG LEU B 22 10.643 -14.933 14.403 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.009 -16.633 16.168 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.287 -17.367 14.716 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.022 -17.577 15.049 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.572 -14.695 15.943 1.00 0.00 H new ATOM 0 HD22 LEU B 22 13.582 -15.644 14.826 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.961 -14.051 14.331 1.00 0.00 H new ATOM 1124 N GLN B 23 11.252 -17.400 10.189 1.00 0.00 N ATOM 1125 CA GLN B 23 11.426 -17.490 8.710 1.00 0.00 C ATOM 1126 C GLN B 23 10.064 -17.461 8.011 1.00 0.00 C ATOM 1127 O GLN B 23 9.874 -16.770 7.029 1.00 0.00 O ATOM 1128 CB GLN B 23 12.119 -18.833 8.475 1.00 0.00 C ATOM 1129 CG GLN B 23 12.552 -18.935 7.011 1.00 0.00 C ATOM 1130 CD GLN B 23 12.808 -20.400 6.655 1.00 0.00 C ATOM 1131 OE1 GLN B 23 13.698 -21.024 7.199 1.00 0.00 O ATOM 1132 NE2 GLN B 23 12.060 -20.981 5.758 1.00 0.00 N ATOM 0 H GLN B 23 11.729 -18.124 10.726 1.00 0.00 H new ATOM 0 HA GLN B 23 12.004 -16.656 8.312 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.986 -18.926 9.129 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.443 -19.651 8.723 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.779 -18.522 6.363 1.00 0.00 H new ATOM 0 HG3 GLN B 23 13.455 -18.347 6.846 1.00 0.00 H new ATOM 0 HE21 GLN B 23 11.313 -20.458 5.301 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.222 -21.958 5.514 1.00 0.00 H new ATOM 1141 N GLN B 24 9.114 -18.205 8.509 1.00 0.00 N ATOM 1142 CA GLN B 24 7.767 -18.218 7.872 1.00 0.00 C ATOM 1143 C GLN B 24 7.052 -16.886 8.117 1.00 0.00 C ATOM 1144 O GLN B 24 6.497 -16.292 7.213 1.00 0.00 O ATOM 1145 CB GLN B 24 7.016 -19.363 8.554 1.00 0.00 C ATOM 1146 CG GLN B 24 6.752 -20.478 7.540 1.00 0.00 C ATOM 1147 CD GLN B 24 5.280 -20.454 7.128 1.00 0.00 C ATOM 1148 OE1 GLN B 24 4.429 -20.950 7.840 1.00 0.00 O ATOM 1149 NE2 GLN B 24 4.940 -19.896 5.998 1.00 0.00 N ATOM 0 H GLN B 24 9.213 -18.804 9.329 1.00 0.00 H new ATOM 0 HA GLN B 24 7.823 -18.354 6.792 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.600 -19.748 9.390 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.074 -19.000 8.964 1.00 0.00 H new ATOM 0 HG2 GLN B 24 7.388 -20.346 6.665 1.00 0.00 H new ATOM 0 HG3 GLN B 24 7.004 -21.446 7.974 1.00 0.00 H new ATOM 0 HE21 GLN B 24 5.654 -19.479 5.400 1.00 0.00 H new ATOM 0 HE22 GLN B 24 3.961 -19.876 5.713 1.00 0.00 H new ATOM 1158 N LYS B 25 7.059 -16.413 9.333 1.00 0.00 N ATOM 1159 CA LYS B 25 6.380 -15.121 9.635 1.00 0.00 C ATOM 1160 C LYS B 25 7.008 -13.988 8.820 1.00 0.00 C ATOM 1161 O LYS B 25 6.323 -13.214 8.181 1.00 0.00 O ATOM 1162 CB LYS B 25 6.606 -14.895 11.131 1.00 0.00 C ATOM 1163 CG LYS B 25 5.329 -15.241 11.899 1.00 0.00 C ATOM 1164 CD LYS B 25 5.015 -16.728 11.723 1.00 0.00 C ATOM 1165 CE LYS B 25 3.526 -16.971 11.981 1.00 0.00 C ATOM 1166 NZ LYS B 25 3.406 -18.442 12.177 1.00 0.00 N ATOM 0 H LYS B 25 7.506 -16.865 10.131 1.00 0.00 H new ATOM 0 HA LYS B 25 5.320 -15.143 9.381 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.433 -15.513 11.482 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.883 -13.857 11.315 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.453 -15.007 12.956 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.498 -14.637 11.535 1.00 0.00 H new ATOM 0 HD2 LYS B 25 5.277 -17.049 10.715 1.00 0.00 H new ATOM 0 HD3 LYS B 25 5.616 -17.321 12.412 1.00 0.00 H new ATOM 0 HE2 LYS B 25 3.183 -16.426 12.861 1.00 0.00 H new ATOM 0 HE3 LYS B 25 2.919 -16.634 11.141 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 2.412 -18.688 12.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 3.733 -18.934 11.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 3.989 -18.733 12.988 1.00 0.00 H new ATOM 1180 N ILE B 26 8.309 -13.883 8.836 1.00 0.00 N ATOM 1181 CA ILE B 26 8.980 -12.800 8.061 1.00 0.00 C ATOM 1182 C ILE B 26 8.540 -12.850 6.595 1.00 0.00 C ATOM 1183 O ILE B 26 8.034 -11.887 6.054 1.00 0.00 O ATOM 1184 CB ILE B 26 10.475 -13.091 8.185 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.901 -12.953 9.650 1.00 0.00 C ATOM 1186 CG2 ILE B 26 11.264 -12.095 7.332 1.00 0.00 C ATOM 1187 CD1 ILE B 26 12.271 -13.604 9.846 1.00 0.00 C ATOM 0 H ILE B 26 8.936 -14.500 9.352 1.00 0.00 H new ATOM 0 HA ILE B 26 8.728 -11.807 8.434 1.00 0.00 H new ATOM 0 HB ILE B 26 10.676 -14.105 7.839 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.943 -11.900 9.930 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.165 -13.426 10.300 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.330 -12.304 7.421 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.962 -12.190 6.289 1.00 0.00 H new ATOM 0 HG23 ILE B 26 11.063 -11.081 7.677 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.575 -13.506 10.888 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.213 -14.660 9.583 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.003 -13.110 9.207 1.00 0.00 H new ATOM 1199 N HIS B 27 8.731 -13.967 5.947 1.00 0.00 N ATOM 1200 CA HIS B 27 8.324 -14.078 4.516 1.00 0.00 C ATOM 1201 C HIS B 27 6.799 -14.005 4.389 1.00 0.00 C ATOM 1202 O HIS B 27 6.269 -13.718 3.334 1.00 0.00 O ATOM 1203 CB HIS B 27 8.835 -15.448 4.065 1.00 0.00 C ATOM 1204 CG HIS B 27 9.243 -15.379 2.619 1.00 0.00 C ATOM 1205 ND1 HIS B 27 8.459 -15.905 1.605 1.00 0.00 N ATOM 1206 CD2 HIS B 27 10.349 -14.850 2.002 1.00 0.00 C ATOM 1207 CE1 HIS B 27 9.099 -15.685 0.442 1.00 0.00 C ATOM 1208 NE2 HIS B 27 10.257 -15.044 0.628 1.00 0.00 N ATOM 0 H HIS B 27 9.151 -14.807 6.346 1.00 0.00 H new ATOM 0 HA HIS B 27 8.730 -13.270 3.908 1.00 0.00 H new ATOM 0 HB2 HIS B 27 9.683 -15.752 4.679 1.00 0.00 H new ATOM 0 HB3 HIS B 27 8.058 -16.200 4.199 1.00 0.00 H new ATOM 0 HD2 HIS B 27 11.167 -14.358 2.507 1.00 0.00 H new ATOM 0 HE1 HIS B 27 8.723 -15.989 -0.524 1.00 0.00 H new ATOM 0 HE2 HIS B 27 10.929 -14.759 -0.085 1.00 0.00 H new ATOM 1216 N GLU B 28 6.091 -14.263 5.455 1.00 0.00 N ATOM 1217 CA GLU B 28 4.601 -14.208 5.390 1.00 0.00 C ATOM 1218 C GLU B 28 4.121 -12.755 5.445 1.00 0.00 C ATOM 1219 O GLU B 28 3.292 -12.335 4.662 1.00 0.00 O ATOM 1220 CB GLU B 28 4.123 -14.977 6.622 1.00 0.00 C ATOM 1221 CG GLU B 28 3.967 -16.458 6.272 1.00 0.00 C ATOM 1222 CD GLU B 28 2.518 -16.737 5.871 1.00 0.00 C ATOM 1223 OE1 GLU B 28 1.631 -16.278 6.571 1.00 0.00 O ATOM 1224 OE2 GLU B 28 2.319 -17.407 4.871 1.00 0.00 O ATOM 0 H GLU B 28 6.478 -14.509 6.366 1.00 0.00 H new ATOM 0 HA GLU B 28 4.212 -14.635 4.466 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.837 -14.859 7.437 1.00 0.00 H new ATOM 0 HB3 GLU B 28 3.172 -14.573 6.970 1.00 0.00 H new ATOM 0 HG2 GLU B 28 4.639 -16.722 5.455 1.00 0.00 H new ATOM 0 HG3 GLU B 28 4.245 -17.076 7.126 1.00 0.00 H new ATOM 1231 N LEU B 29 4.635 -11.984 6.365 1.00 0.00 N ATOM 1232 CA LEU B 29 4.206 -10.559 6.469 1.00 0.00 C ATOM 1233 C LEU B 29 4.352 -9.861 5.113 1.00 0.00 C ATOM 1234 O LEU B 29 3.540 -9.038 4.738 1.00 0.00 O ATOM 1235 CB LEU B 29 5.151 -9.936 7.496 1.00 0.00 C ATOM 1236 CG LEU B 29 4.804 -10.457 8.891 1.00 0.00 C ATOM 1237 CD1 LEU B 29 6.075 -10.528 9.741 1.00 0.00 C ATOM 1238 CD2 LEU B 29 3.801 -9.510 9.555 1.00 0.00 C ATOM 0 H LEU B 29 5.333 -12.279 7.048 1.00 0.00 H new ATOM 0 HA LEU B 29 3.161 -10.463 6.764 1.00 0.00 H new ATOM 0 HB2 LEU B 29 6.184 -10.182 7.251 1.00 0.00 H new ATOM 0 HB3 LEU B 29 5.067 -8.850 7.471 1.00 0.00 H new ATOM 0 HG LEU B 29 4.366 -11.452 8.807 1.00 0.00 H new ATOM 0 HD11 LEU B 29 5.827 -10.899 10.735 1.00 0.00 H new ATOM 0 HD12 LEU B 29 6.791 -11.202 9.270 1.00 0.00 H new ATOM 0 HD13 LEU B 29 6.513 -9.533 9.824 1.00 0.00 H new ATOM 0 HD21 LEU B 29 3.553 -9.881 10.549 1.00 0.00 H new ATOM 0 HD22 LEU B 29 4.239 -8.515 9.638 1.00 0.00 H new ATOM 0 HD23 LEU B 29 2.895 -9.458 8.951 1.00 0.00 H new ATOM 1250 N GLU B 30 5.379 -10.185 4.376 1.00 0.00 N ATOM 1251 CA GLU B 30 5.574 -9.539 3.046 1.00 0.00 C ATOM 1252 C GLU B 30 4.447 -9.943 2.092 1.00 0.00 C ATOM 1253 O GLU B 30 3.887 -9.120 1.394 1.00 0.00 O ATOM 1254 CB GLU B 30 6.917 -10.069 2.543 1.00 0.00 C ATOM 1255 CG GLU B 30 7.606 -8.995 1.697 1.00 0.00 C ATOM 1256 CD GLU B 30 7.481 -9.354 0.215 1.00 0.00 C ATOM 1257 OE1 GLU B 30 6.387 -9.696 -0.201 1.00 0.00 O ATOM 1258 OE2 GLU B 30 8.483 -9.281 -0.477 1.00 0.00 O ATOM 0 H GLU B 30 6.091 -10.868 4.636 1.00 0.00 H new ATOM 0 HA GLU B 30 5.562 -8.451 3.109 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.550 -10.344 3.386 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.765 -10.971 1.951 1.00 0.00 H new ATOM 0 HG2 GLU B 30 7.152 -8.022 1.886 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.657 -8.916 1.976 1.00 0.00 H new ATOM 1265 N GLY B 31 4.110 -11.203 2.056 1.00 0.00 N ATOM 1266 CA GLY B 31 3.019 -11.657 1.147 1.00 0.00 C ATOM 1267 C GLY B 31 1.707 -10.975 1.539 1.00 0.00 C ATOM 1268 O GLY B 31 0.868 -10.697 0.706 1.00 0.00 O ATOM 0 H GLY B 31 4.542 -11.938 2.616 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.270 -11.418 0.114 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.910 -12.740 1.206 1.00 0.00 H new ATOM 1272 N LEU B 32 1.523 -10.705 2.803 1.00 0.00 N ATOM 1273 CA LEU B 32 0.264 -10.040 3.247 1.00 0.00 C ATOM 1274 C LEU B 32 0.319 -8.541 2.941 1.00 0.00 C ATOM 1275 O LEU B 32 -0.697 -7.885 2.822 1.00 0.00 O ATOM 1276 CB LEU B 32 0.203 -10.277 4.756 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.231 -10.077 5.248 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.015 -11.380 5.080 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.212 -9.682 6.727 1.00 0.00 C ATOM 0 H LEU B 32 2.189 -10.916 3.547 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.614 -10.435 2.736 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.541 -11.286 4.990 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.874 -9.589 5.270 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.708 -9.288 4.666 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.037 -11.237 5.431 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.029 -11.663 4.028 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.538 -12.169 5.662 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.234 -9.539 7.079 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.735 -10.471 7.308 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.653 -8.754 6.849 1.00 0.00 H new ATOM 1291 N MET B 33 1.497 -7.996 2.812 1.00 0.00 N ATOM 1292 CA MET B 33 1.616 -6.539 2.515 1.00 0.00 C ATOM 1293 C MET B 33 0.965 -6.215 1.167 1.00 0.00 C ATOM 1294 O MET B 33 0.053 -5.416 1.084 1.00 0.00 O ATOM 1295 CB MET B 33 3.120 -6.267 2.463 1.00 0.00 C ATOM 1296 CG MET B 33 3.469 -5.135 3.432 1.00 0.00 C ATOM 1297 SD MET B 33 4.929 -5.593 4.399 1.00 0.00 S ATOM 1298 CE MET B 33 6.155 -4.737 3.380 1.00 0.00 C ATOM 0 H MET B 33 2.382 -8.495 2.899 1.00 0.00 H new ATOM 0 HA MET B 33 1.115 -5.924 3.263 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.673 -7.169 2.727 1.00 0.00 H new ATOM 0 HB3 MET B 33 3.416 -5.997 1.450 1.00 0.00 H new ATOM 0 HG2 MET B 33 3.660 -4.215 2.879 1.00 0.00 H new ATOM 0 HG3 MET B 33 2.627 -4.939 4.096 1.00 0.00 H new ATOM 0 HE1 MET B 33 6.842 -5.465 2.949 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.650 -4.197 2.579 1.00 0.00 H new ATOM 0 HE3 MET B 33 6.713 -4.032 3.997 1.00 0.00 H new ATOM 1308 N MET B 34 1.427 -6.827 0.111 1.00 0.00 N ATOM 1309 CA MET B 34 0.835 -6.550 -1.231 1.00 0.00 C ATOM 1310 C MET B 34 -0.636 -6.975 -1.261 1.00 0.00 C ATOM 1311 O MET B 34 -1.448 -6.385 -1.946 1.00 0.00 O ATOM 1312 CB MET B 34 1.656 -7.394 -2.207 1.00 0.00 C ATOM 1313 CG MET B 34 1.551 -6.799 -3.612 1.00 0.00 C ATOM 1314 SD MET B 34 3.132 -6.991 -4.469 1.00 0.00 S ATOM 1315 CE MET B 34 4.046 -5.732 -3.545 1.00 0.00 C ATOM 0 H MET B 34 2.188 -7.506 0.118 1.00 0.00 H new ATOM 0 HA MET B 34 0.863 -5.490 -1.483 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.699 -7.423 -1.890 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.294 -8.422 -2.208 1.00 0.00 H new ATOM 0 HG2 MET B 34 0.759 -7.298 -4.171 1.00 0.00 H new ATOM 0 HG3 MET B 34 1.283 -5.744 -3.553 1.00 0.00 H new ATOM 0 HE1 MET B 34 5.007 -5.553 -4.027 1.00 0.00 H new ATOM 0 HE2 MET B 34 3.471 -4.806 -3.526 1.00 0.00 H new ATOM 0 HE3 MET B 34 4.211 -6.078 -2.525 1.00 0.00 H new ATOM 1325 N GLN B 35 -0.984 -7.995 -0.526 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.403 -8.458 -0.515 1.00 0.00 C ATOM 1327 C GLN B 35 -3.342 -7.288 -0.202 1.00 0.00 C ATOM 1328 O GLN B 35 -3.999 -6.758 -1.076 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.462 -9.514 0.592 1.00 0.00 C ATOM 1330 CG GLN B 35 -3.907 -9.981 0.784 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.052 -11.416 0.273 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.578 -11.642 -0.798 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -3.605 -12.402 1.002 1.00 0.00 N ATOM 0 H GLN B 35 -0.349 -8.528 0.067 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.717 -8.860 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -1.827 -10.362 0.333 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.077 -9.100 1.524 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -4.180 -9.930 1.838 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.588 -9.322 0.246 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -3.163 -12.212 1.901 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -3.697 -13.363 0.672 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.415 -6.886 1.036 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.314 -5.754 1.403 1.00 0.00 C ATOM 1344 C HIS B 36 -4.037 -4.540 0.508 1.00 0.00 C ATOM 1345 O HIS B 36 -4.938 -3.974 -0.078 1.00 0.00 O ATOM 1346 CB HIS B 36 -3.979 -5.444 2.861 1.00 0.00 C ATOM 1347 CG HIS B 36 -4.586 -6.495 3.749 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.854 -7.009 3.525 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -4.111 -7.141 4.862 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -6.096 -7.922 4.484 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -5.066 -8.042 5.326 1.00 0.00 N ATOM 0 H HIS B 36 -2.891 -7.292 1.811 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.367 -6.001 1.272 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -2.898 -5.416 2.999 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.360 -4.459 3.132 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -3.143 -6.976 5.311 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -7.012 -8.489 4.563 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -4.994 -8.660 6.134 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.796 -4.139 0.393 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.460 -2.966 -0.471 1.00 0.00 C ATOM 1361 C ALA B 37 -3.123 -3.116 -1.844 1.00 0.00 C ATOM 1362 O ALA B 37 -3.690 -2.182 -2.376 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.937 -3.001 -0.606 1.00 0.00 C ATOM 0 H ALA B 37 -2.000 -4.573 0.860 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.812 -2.025 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.608 -2.169 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.482 -2.918 0.381 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.634 -3.941 -1.067 1.00 0.00 H new ATOM 1369 N GLN B 38 -3.068 -4.290 -2.415 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.707 -4.502 -3.745 1.00 0.00 C ATOM 1371 C GLN B 38 -5.198 -4.184 -3.643 1.00 0.00 C ATOM 1372 O GLN B 38 -5.805 -3.685 -4.569 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.488 -5.981 -4.066 1.00 0.00 C ATOM 1374 CG GLN B 38 -2.245 -6.133 -4.946 1.00 0.00 C ATOM 1375 CD GLN B 38 -2.198 -7.548 -5.524 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -3.193 -8.243 -5.542 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -1.073 -8.007 -6.002 1.00 0.00 N ATOM 0 H GLN B 38 -2.609 -5.110 -2.018 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.288 -3.862 -4.522 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.366 -6.550 -3.144 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.361 -6.386 -4.578 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.266 -5.400 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.346 -5.938 -4.361 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -0.237 -7.423 -5.987 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.031 -8.949 -6.390 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.787 -4.454 -2.509 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.235 -4.152 -2.327 1.00 0.00 C ATOM 1388 C ASN B 39 -7.397 -2.745 -1.738 1.00 0.00 C ATOM 1389 O ASN B 39 -8.439 -2.395 -1.220 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.741 -5.209 -1.345 1.00 0.00 C ATOM 1391 CG ASN B 39 -8.513 -6.287 -2.108 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -9.269 -5.986 -3.010 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -8.354 -7.541 -1.782 1.00 0.00 N ATOM 0 H ASN B 39 -5.327 -4.871 -1.700 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.790 -4.176 -3.265 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.902 -5.656 -0.812 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.385 -4.747 -0.597 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.864 -8.267 -2.285 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -7.719 -7.795 -1.025 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.369 -1.940 -1.818 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.445 -0.555 -1.271 1.00 0.00 C ATOM 1402 C LEU B 40 -6.842 -0.573 0.206 1.00 0.00 C ATOM 1403 O LEU B 40 -7.376 0.387 0.724 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.507 0.152 -2.113 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.877 0.646 -3.417 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.871 -0.488 -4.443 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.691 1.822 -3.963 1.00 0.00 C ATOM 0 H LEU B 40 -5.475 -2.186 -2.242 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.483 -0.046 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.329 -0.530 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.927 0.991 -1.559 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.854 0.969 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.422 -0.136 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.292 -1.326 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.894 -0.811 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.243 2.175 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.714 1.499 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.696 2.631 -3.233 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.567 -1.645 0.894 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.912 -1.701 2.344 1.00 0.00 C ATOM 1421 C GLU B 41 -6.001 -0.741 3.110 1.00 0.00 C ATOM 1422 O GLU B 41 -6.443 0.033 3.936 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.649 -3.148 2.762 1.00 0.00 C ATOM 1424 CG GLU B 41 -7.927 -3.971 2.588 1.00 0.00 C ATOM 1425 CD GLU B 41 -8.925 -3.606 3.688 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -8.483 -3.182 4.744 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.113 -3.758 3.458 1.00 0.00 O ATOM 0 H GLU B 41 -6.120 -2.482 0.519 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.943 -1.411 2.548 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -5.846 -3.572 2.158 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.320 -3.183 3.800 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.364 -3.780 1.608 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.695 -5.035 2.632 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.730 -0.781 2.820 1.00 0.00 N ATOM 1435 CA PHE B 42 -3.765 0.129 3.500 1.00 0.00 C ATOM 1436 C PHE B 42 -3.953 0.104 5.015 1.00 0.00 C ATOM 1437 O PHE B 42 -4.754 -0.644 5.535 1.00 0.00 O ATOM 1438 CB PHE B 42 -4.071 1.518 2.942 1.00 0.00 C ATOM 1439 CG PHE B 42 -3.347 1.706 1.631 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -1.977 1.375 1.526 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -4.039 2.213 0.508 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -1.300 1.554 0.300 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.361 2.390 -0.718 1.00 0.00 C ATOM 1444 CZ PHE B 42 -1.991 2.062 -0.821 1.00 0.00 C ATOM 0 H PHE B 42 -4.314 -1.411 2.134 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.733 -0.171 3.318 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -5.145 1.634 2.796 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.761 2.283 3.653 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.448 0.985 2.383 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -5.086 2.465 0.587 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -0.253 1.302 0.220 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.890 2.776 -1.577 1.00 0.00 H new ATOM 0 HZ PHE B 42 -1.472 2.200 -1.758 1.00 0.00 H new ATOM 1454 N GLU B 43 -3.184 0.910 5.711 1.00 0.00 N ATOM 1455 CA GLU B 43 -3.231 0.978 7.204 1.00 0.00 C ATOM 1456 C GLU B 43 -2.743 -0.346 7.776 1.00 0.00 C ATOM 1457 O GLU B 43 -1.728 -0.422 8.438 1.00 0.00 O ATOM 1458 CB GLU B 43 -4.690 1.246 7.591 1.00 0.00 C ATOM 1459 CG GLU B 43 -4.814 1.229 9.114 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.293 1.187 9.506 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -6.960 0.241 9.120 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -6.731 2.099 10.186 1.00 0.00 O ATOM 0 H GLU B 43 -2.505 1.543 5.289 1.00 0.00 H new ATOM 0 HA GLU B 43 -2.591 1.767 7.599 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.012 2.210 7.198 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.341 0.490 7.152 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.294 0.362 9.522 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.340 2.114 9.538 1.00 0.00 H new ATOM 1469 N GLU B 44 -3.451 -1.388 7.495 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.044 -2.733 7.980 1.00 0.00 C ATOM 1471 C GLU B 44 -1.991 -3.324 7.038 1.00 0.00 C ATOM 1472 O GLU B 44 -1.131 -4.080 7.444 1.00 0.00 O ATOM 1473 CB GLU B 44 -4.325 -3.572 7.967 1.00 0.00 C ATOM 1474 CG GLU B 44 -4.822 -3.751 6.530 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.011 -4.714 6.516 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -5.779 -5.911 6.556 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.132 -4.238 6.466 1.00 0.00 O ATOM 0 H GLU B 44 -4.308 -1.372 6.942 1.00 0.00 H new ATOM 0 HA GLU B 44 -2.601 -2.703 8.975 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -4.136 -4.546 8.419 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -5.094 -3.086 8.568 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.116 -2.788 6.113 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -4.020 -4.138 5.902 1.00 0.00 H new ATOM 1484 N ALA B 45 -2.063 -2.992 5.774 1.00 0.00 N ATOM 1485 CA ALA B 45 -1.080 -3.540 4.794 1.00 0.00 C ATOM 1486 C ALA B 45 0.235 -2.760 4.838 1.00 0.00 C ATOM 1487 O ALA B 45 1.308 -3.331 4.847 1.00 0.00 O ATOM 1488 CB ALA B 45 -1.749 -3.367 3.431 1.00 0.00 C ATOM 0 H ALA B 45 -2.762 -2.363 5.379 1.00 0.00 H new ATOM 0 HA ALA B 45 -0.832 -4.579 5.011 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.089 -3.747 2.651 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -2.688 -3.921 3.414 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.948 -2.310 3.255 1.00 0.00 H new ATOM 1494 N ALA B 46 0.164 -1.457 4.843 1.00 0.00 N ATOM 1495 CA ALA B 46 1.413 -0.645 4.861 1.00 0.00 C ATOM 1496 C ALA B 46 2.066 -0.674 6.246 1.00 0.00 C ATOM 1497 O ALA B 46 3.236 -0.389 6.390 1.00 0.00 O ATOM 1498 CB ALA B 46 0.968 0.770 4.496 1.00 0.00 C ATOM 0 H ALA B 46 -0.703 -0.921 4.835 1.00 0.00 H new ATOM 0 HA ALA B 46 2.160 -1.030 4.167 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.833 1.433 4.487 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.507 0.763 3.509 1.00 0.00 H new ATOM 0 HB3 ALA B 46 0.246 1.125 5.231 1.00 0.00 H new ATOM 1504 N GLN B 47 1.329 -1.016 7.265 1.00 0.00 N ATOM 1505 CA GLN B 47 1.933 -1.060 8.628 1.00 0.00 C ATOM 1506 C GLN B 47 2.860 -2.273 8.757 1.00 0.00 C ATOM 1507 O GLN B 47 3.712 -2.326 9.623 1.00 0.00 O ATOM 1508 CB GLN B 47 0.751 -1.189 9.587 1.00 0.00 C ATOM 1509 CG GLN B 47 0.311 0.203 10.045 1.00 0.00 C ATOM 1510 CD GLN B 47 1.295 0.733 11.089 1.00 0.00 C ATOM 1511 OE1 GLN B 47 2.002 -0.030 11.717 1.00 0.00 O ATOM 1512 NE2 GLN B 47 1.374 2.018 11.300 1.00 0.00 N ATOM 0 H GLN B 47 0.341 -1.266 7.216 1.00 0.00 H new ATOM 0 HA GLN B 47 2.533 -0.175 8.839 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.076 -1.700 9.095 1.00 0.00 H new ATOM 0 HB3 GLN B 47 1.032 -1.795 10.448 1.00 0.00 H new ATOM 0 HG2 GLN B 47 0.269 0.881 9.193 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -0.693 0.158 10.467 1.00 0.00 H new ATOM 0 HE21 GLN B 47 0.781 2.659 10.773 1.00 0.00 H new ATOM 0 HE22 GLN B 47 2.029 2.382 11.992 1.00 0.00 H new ATOM 1521 N ILE B 48 2.699 -3.251 7.907 1.00 0.00 N ATOM 1522 CA ILE B 48 3.567 -4.462 7.986 1.00 0.00 C ATOM 1523 C ILE B 48 4.999 -4.128 7.555 1.00 0.00 C ATOM 1524 O ILE B 48 5.948 -4.737 8.009 1.00 0.00 O ATOM 1525 CB ILE B 48 2.937 -5.466 7.021 1.00 0.00 C ATOM 1526 CG1 ILE B 48 1.490 -5.740 7.443 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.732 -6.772 7.047 1.00 0.00 C ATOM 1528 CD1 ILE B 48 1.465 -6.285 8.874 1.00 0.00 C ATOM 0 H ILE B 48 2.004 -3.264 7.161 1.00 0.00 H new ATOM 0 HA ILE B 48 3.629 -4.854 9.001 1.00 0.00 H new ATOM 0 HB ILE B 48 2.951 -5.055 6.012 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.903 -4.823 7.382 1.00 0.00 H new ATOM 0 HG13 ILE B 48 1.032 -6.457 6.762 1.00 0.00 H new ATOM 0 HG21 ILE B 48 3.281 -7.486 6.358 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.761 -6.577 6.746 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.721 -7.184 8.056 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.434 -6.479 9.172 1.00 0.00 H new ATOM 0 HD12 ILE B 48 2.037 -7.212 8.920 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.906 -5.553 9.550 1.00 0.00 H new ATOM 1540 N ARG B 49 5.168 -3.171 6.682 1.00 0.00 N ATOM 1541 CA ARG B 49 6.547 -2.814 6.233 1.00 0.00 C ATOM 1542 C ARG B 49 7.442 -2.540 7.445 1.00 0.00 C ATOM 1543 O ARG B 49 8.641 -2.724 7.399 1.00 0.00 O ATOM 1544 CB ARG B 49 6.383 -1.553 5.380 1.00 0.00 C ATOM 1545 CG ARG B 49 5.888 -0.396 6.252 1.00 0.00 C ATOM 1546 CD ARG B 49 7.082 0.430 6.734 1.00 0.00 C ATOM 1547 NE ARG B 49 6.621 1.070 7.997 1.00 0.00 N ATOM 1548 CZ ARG B 49 7.282 2.077 8.497 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.581 2.129 8.379 1.00 0.00 N ATOM 1550 NH2 ARG B 49 6.644 3.034 9.116 1.00 0.00 N ATOM 0 H ARG B 49 4.417 -2.624 6.262 1.00 0.00 H new ATOM 0 HA ARG B 49 7.017 -3.619 5.669 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.334 -1.290 4.917 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.676 -1.739 4.572 1.00 0.00 H new ATOM 0 HG2 ARG B 49 5.203 0.233 5.684 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.332 -0.783 7.106 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.955 -0.200 6.906 1.00 0.00 H new ATOM 0 HD3 ARG B 49 7.370 1.177 5.995 1.00 0.00 H new ATOM 0 HE ARG B 49 5.788 0.721 8.471 1.00 0.00 H new ATOM 0 HH11 ARG B 49 9.079 1.382 7.896 1.00 0.00 H new ATOM 0 HH12 ARG B 49 9.097 2.917 8.770 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.629 2.994 9.208 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.161 3.822 9.507 1.00 0.00 H new ATOM 1564 N ASP B 50 6.863 -2.109 8.533 1.00 0.00 N ATOM 1565 CA ASP B 50 7.677 -1.830 9.750 1.00 0.00 C ATOM 1566 C ASP B 50 8.002 -3.141 10.468 1.00 0.00 C ATOM 1567 O ASP B 50 9.074 -3.315 11.011 1.00 0.00 O ATOM 1568 CB ASP B 50 6.792 -0.941 10.625 1.00 0.00 C ATOM 1569 CG ASP B 50 7.646 0.152 11.270 1.00 0.00 C ATOM 1570 OD1 ASP B 50 8.492 0.699 10.581 1.00 0.00 O ATOM 1571 OD2 ASP B 50 7.438 0.425 12.440 1.00 0.00 O ATOM 0 H ASP B 50 5.862 -1.938 8.631 1.00 0.00 H new ATOM 0 HA ASP B 50 8.626 -1.348 9.516 1.00 0.00 H new ATOM 0 HB2 ASP B 50 6.001 -0.492 10.024 1.00 0.00 H new ATOM 0 HB3 ASP B 50 6.306 -1.539 11.395 1.00 0.00 H new ATOM 1576 N GLN B 51 7.082 -4.068 10.469 1.00 0.00 N ATOM 1577 CA GLN B 51 7.337 -5.370 11.147 1.00 0.00 C ATOM 1578 C GLN B 51 8.408 -6.156 10.385 1.00 0.00 C ATOM 1579 O GLN B 51 9.201 -6.868 10.967 1.00 0.00 O ATOM 1580 CB GLN B 51 5.997 -6.107 11.106 1.00 0.00 C ATOM 1581 CG GLN B 51 4.934 -5.274 11.825 1.00 0.00 C ATOM 1582 CD GLN B 51 3.581 -5.982 11.731 1.00 0.00 C ATOM 1583 OE1 GLN B 51 2.567 -5.352 11.504 1.00 0.00 O ATOM 1584 NE2 GLN B 51 3.523 -7.275 11.897 1.00 0.00 N ATOM 0 H GLN B 51 6.166 -3.979 10.030 1.00 0.00 H new ATOM 0 HA GLN B 51 7.699 -5.244 12.167 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.698 -6.283 10.073 1.00 0.00 H new ATOM 0 HB3 GLN B 51 6.092 -7.083 11.581 1.00 0.00 H new ATOM 0 HG2 GLN B 51 5.211 -5.134 12.870 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.869 -4.282 11.377 1.00 0.00 H new ATOM 0 HE21 GLN B 51 4.374 -7.803 12.088 1.00 0.00 H new ATOM 0 HE22 GLN B 51 2.626 -7.757 11.836 1.00 0.00 H new ATOM 1593 N LEU B 52 8.437 -6.029 9.086 1.00 0.00 N ATOM 1594 CA LEU B 52 9.458 -6.766 8.288 1.00 0.00 C ATOM 1595 C LEU B 52 10.860 -6.460 8.822 1.00 0.00 C ATOM 1596 O LEU B 52 11.634 -7.352 9.111 1.00 0.00 O ATOM 1597 CB LEU B 52 9.303 -6.242 6.859 1.00 0.00 C ATOM 1598 CG LEU B 52 8.723 -7.342 5.966 1.00 0.00 C ATOM 1599 CD1 LEU B 52 8.622 -6.830 4.528 1.00 0.00 C ATOM 1600 CD2 LEU B 52 9.639 -8.569 6.004 1.00 0.00 C ATOM 0 H LEU B 52 7.798 -5.447 8.543 1.00 0.00 H new ATOM 0 HA LEU B 52 9.323 -7.846 8.340 1.00 0.00 H new ATOM 0 HB2 LEU B 52 8.649 -5.370 6.850 1.00 0.00 H new ATOM 0 HB3 LEU B 52 10.270 -5.919 6.473 1.00 0.00 H new ATOM 0 HG LEU B 52 7.732 -7.616 6.327 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.209 -7.612 3.891 1.00 0.00 H new ATOM 0 HD12 LEU B 52 7.971 -5.956 4.498 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.614 -6.556 4.169 1.00 0.00 H new ATOM 0 HD21 LEU B 52 9.225 -9.352 5.368 1.00 0.00 H new ATOM 0 HD22 LEU B 52 10.630 -8.294 5.643 1.00 0.00 H new ATOM 0 HD23 LEU B 52 9.714 -8.935 7.028 1.00 0.00 H new ATOM 1612 N HIS B 53 11.192 -5.205 8.957 1.00 0.00 N ATOM 1613 CA HIS B 53 12.542 -4.841 9.474 1.00 0.00 C ATOM 1614 C HIS B 53 12.643 -5.187 10.962 1.00 0.00 C ATOM 1615 O HIS B 53 13.666 -5.642 11.435 1.00 0.00 O ATOM 1616 CB HIS B 53 12.653 -3.332 9.265 1.00 0.00 C ATOM 1617 CG HIS B 53 12.878 -3.042 7.807 1.00 0.00 C ATOM 1618 ND1 HIS B 53 11.845 -2.683 6.955 1.00 0.00 N ATOM 1619 CD2 HIS B 53 14.013 -3.054 7.033 1.00 0.00 C ATOM 1620 CE1 HIS B 53 12.373 -2.495 5.733 1.00 0.00 C ATOM 1621 NE2 HIS B 53 13.691 -2.710 5.724 1.00 0.00 N ATOM 0 H HIS B 53 10.587 -4.416 8.732 1.00 0.00 H new ATOM 0 HA HIS B 53 13.341 -5.380 8.965 1.00 0.00 H new ATOM 0 HB2 HIS B 53 11.744 -2.839 9.608 1.00 0.00 H new ATOM 0 HB3 HIS B 53 13.476 -2.932 9.857 1.00 0.00 H new ATOM 0 HD1 HIS B 53 10.863 -2.580 7.209 1.00 0.00 H new ATOM 0 HD2 HIS B 53 15.005 -3.294 7.387 1.00 0.00 H new ATOM 0 HE1 HIS B 53 11.801 -2.205 4.864 1.00 0.00 H new ATOM 1629 N GLN B 54 11.590 -4.976 11.703 1.00 0.00 N ATOM 1630 CA GLN B 54 11.624 -5.295 13.158 1.00 0.00 C ATOM 1631 C GLN B 54 11.894 -6.788 13.363 1.00 0.00 C ATOM 1632 O GLN B 54 12.683 -7.177 14.201 1.00 0.00 O ATOM 1633 CB GLN B 54 10.236 -4.923 13.679 1.00 0.00 C ATOM 1634 CG GLN B 54 10.352 -4.385 15.107 1.00 0.00 C ATOM 1635 CD GLN B 54 9.005 -4.526 15.817 1.00 0.00 C ATOM 1636 OE1 GLN B 54 8.603 -5.618 16.168 1.00 0.00 O ATOM 1637 NE2 GLN B 54 8.287 -3.461 16.046 1.00 0.00 N ATOM 0 H GLN B 54 10.707 -4.596 11.363 1.00 0.00 H new ATOM 0 HA GLN B 54 12.412 -4.754 13.682 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.783 -4.172 13.032 1.00 0.00 H new ATOM 0 HB3 GLN B 54 9.583 -5.796 13.660 1.00 0.00 H new ATOM 0 HG2 GLN B 54 11.121 -4.933 15.652 1.00 0.00 H new ATOM 0 HG3 GLN B 54 10.658 -3.339 15.089 1.00 0.00 H new ATOM 0 HE21 GLN B 54 8.625 -2.545 15.751 1.00 0.00 H new ATOM 0 HE22 GLN B 54 7.388 -3.544 16.520 1.00 0.00 H new ATOM 1646 N LEU B 55 11.245 -7.626 12.602 1.00 0.00 N ATOM 1647 CA LEU B 55 11.465 -9.093 12.751 1.00 0.00 C ATOM 1648 C LEU B 55 12.853 -9.473 12.227 1.00 0.00 C ATOM 1649 O LEU B 55 13.423 -10.472 12.618 1.00 0.00 O ATOM 1650 CB LEU B 55 10.374 -9.747 11.902 1.00 0.00 C ATOM 1651 CG LEU B 55 9.119 -9.950 12.752 1.00 0.00 C ATOM 1652 CD1 LEU B 55 8.189 -8.747 12.586 1.00 0.00 C ATOM 1653 CD2 LEU B 55 8.396 -11.219 12.297 1.00 0.00 C ATOM 0 H LEU B 55 10.572 -7.359 11.884 1.00 0.00 H new ATOM 0 HA LEU B 55 11.418 -9.415 13.791 1.00 0.00 H new ATOM 0 HB2 LEU B 55 10.145 -9.121 11.040 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.724 -10.705 11.516 1.00 0.00 H new ATOM 0 HG LEU B 55 9.402 -10.048 13.800 1.00 0.00 H new ATOM 0 HD11 LEU B 55 7.295 -8.892 13.192 1.00 0.00 H new ATOM 0 HD12 LEU B 55 8.703 -7.842 12.909 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.905 -8.648 11.538 1.00 0.00 H new ATOM 0 HD21 LEU B 55 7.501 -11.365 12.902 1.00 0.00 H new ATOM 0 HD22 LEU B 55 8.113 -11.121 11.249 1.00 0.00 H new ATOM 0 HD23 LEU B 55 9.058 -12.077 12.415 1.00 0.00 H new ATOM 1665 N ARG B 56 13.400 -8.681 11.346 1.00 0.00 N ATOM 1666 CA ARG B 56 14.751 -8.995 10.798 1.00 0.00 C ATOM 1667 C ARG B 56 15.780 -9.055 11.932 1.00 0.00 C ATOM 1668 O ARG B 56 16.493 -10.026 12.084 1.00 0.00 O ATOM 1669 CB ARG B 56 15.069 -7.843 9.845 1.00 0.00 C ATOM 1670 CG ARG B 56 16.396 -8.119 9.134 1.00 0.00 C ATOM 1671 CD ARG B 56 17.085 -6.793 8.805 1.00 0.00 C ATOM 1672 NE ARG B 56 18.473 -7.168 8.415 1.00 0.00 N ATOM 1673 CZ ARG B 56 19.489 -6.696 9.085 1.00 0.00 C ATOM 1674 NH1 ARG B 56 20.345 -5.904 8.501 1.00 0.00 N ATOM 1675 NH2 ARG B 56 19.648 -7.018 10.340 1.00 0.00 N ATOM 0 H ARG B 56 12.971 -7.830 10.982 1.00 0.00 H new ATOM 0 HA ARG B 56 14.779 -9.960 10.293 1.00 0.00 H new ATOM 0 HB2 ARG B 56 14.269 -7.731 9.113 1.00 0.00 H new ATOM 0 HB3 ARG B 56 15.129 -6.906 10.398 1.00 0.00 H new ATOM 0 HG2 ARG B 56 17.040 -8.728 9.768 1.00 0.00 H new ATOM 0 HG3 ARG B 56 16.220 -8.686 8.220 1.00 0.00 H new ATOM 0 HD2 ARG B 56 16.574 -6.273 7.995 1.00 0.00 H new ATOM 0 HD3 ARG B 56 17.084 -6.123 9.665 1.00 0.00 H new ATOM 0 HE ARG B 56 18.629 -7.793 7.625 1.00 0.00 H new ATOM 0 HH11 ARG B 56 20.221 -5.653 7.520 1.00 0.00 H new ATOM 0 HH12 ARG B 56 21.139 -5.536 9.025 1.00 0.00 H new ATOM 0 HH21 ARG B 56 18.979 -7.638 10.796 1.00 0.00 H new ATOM 0 HH22 ARG B 56 20.442 -6.650 10.864 1.00 0.00 H new ATOM 1689 N GLU B 57 15.859 -8.023 12.728 1.00 0.00 N ATOM 1690 CA GLU B 57 16.840 -8.024 13.850 1.00 0.00 C ATOM 1691 C GLU B 57 16.514 -9.150 14.835 1.00 0.00 C ATOM 1692 O GLU B 57 17.365 -9.614 15.566 1.00 0.00 O ATOM 1693 CB GLU B 57 16.674 -6.659 14.521 1.00 0.00 C ATOM 1694 CG GLU B 57 15.217 -6.472 14.947 1.00 0.00 C ATOM 1695 CD GLU B 57 15.135 -5.389 16.024 1.00 0.00 C ATOM 1696 OE1 GLU B 57 15.345 -4.234 15.690 1.00 0.00 O ATOM 1697 OE2 GLU B 57 14.863 -5.731 17.162 1.00 0.00 O ATOM 0 H GLU B 57 15.288 -7.181 12.650 1.00 0.00 H new ATOM 0 HA GLU B 57 17.861 -8.188 13.507 1.00 0.00 H new ATOM 0 HB2 GLU B 57 17.330 -6.587 15.389 1.00 0.00 H new ATOM 0 HB3 GLU B 57 16.967 -5.866 13.833 1.00 0.00 H new ATOM 0 HG2 GLU B 57 14.609 -6.191 14.087 1.00 0.00 H new ATOM 0 HG3 GLU B 57 14.815 -7.411 15.329 1.00 0.00 H new ATOM 1704 N LEU B 58 15.287 -9.593 14.856 1.00 0.00 N ATOM 1705 CA LEU B 58 14.907 -10.690 15.792 1.00 0.00 C ATOM 1706 C LEU B 58 15.528 -12.012 15.336 1.00 0.00 C ATOM 1707 O LEU B 58 15.699 -12.930 16.114 1.00 0.00 O ATOM 1708 CB LEU B 58 13.380 -10.762 15.720 1.00 0.00 C ATOM 1709 CG LEU B 58 12.816 -11.058 17.110 1.00 0.00 C ATOM 1710 CD1 LEU B 58 11.689 -10.073 17.424 1.00 0.00 C ATOM 1711 CD2 LEU B 58 12.267 -12.486 17.142 1.00 0.00 C ATOM 0 H LEU B 58 14.532 -9.244 14.266 1.00 0.00 H new ATOM 0 HA LEU B 58 15.259 -10.507 16.807 1.00 0.00 H new ATOM 0 HB2 LEU B 58 12.978 -9.820 15.346 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.075 -11.539 15.019 1.00 0.00 H new ATOM 0 HG LEU B 58 13.607 -10.954 17.853 1.00 0.00 H new ATOM 0 HD11 LEU B 58 11.287 -10.284 18.415 1.00 0.00 H new ATOM 0 HD12 LEU B 58 12.078 -9.055 17.399 1.00 0.00 H new ATOM 0 HD13 LEU B 58 10.898 -10.177 16.682 1.00 0.00 H new ATOM 0 HD21 LEU B 58 11.864 -12.699 18.132 1.00 0.00 H new ATOM 0 HD22 LEU B 58 11.476 -12.588 16.399 1.00 0.00 H new ATOM 0 HD23 LEU B 58 13.069 -13.189 16.917 1.00 0.00 H new ATOM 1723 N PHE B 59 15.869 -12.116 14.081 1.00 0.00 N ATOM 1724 CA PHE B 59 16.480 -13.379 13.574 1.00 0.00 C ATOM 1725 C PHE B 59 17.688 -13.762 14.434 1.00 0.00 C ATOM 1726 O PHE B 59 17.835 -14.897 14.844 1.00 0.00 O ATOM 1727 CB PHE B 59 16.918 -13.061 12.145 1.00 0.00 C ATOM 1728 CG PHE B 59 17.623 -14.259 11.554 1.00 0.00 C ATOM 1729 CD1 PHE B 59 19.012 -14.427 11.746 1.00 0.00 C ATOM 1730 CD2 PHE B 59 16.892 -15.212 10.809 1.00 0.00 C ATOM 1731 CE1 PHE B 59 19.671 -15.549 11.193 1.00 0.00 C ATOM 1732 CE2 PHE B 59 17.551 -16.333 10.257 1.00 0.00 C ATOM 1733 CZ PHE B 59 18.940 -16.501 10.449 1.00 0.00 C ATOM 0 H PHE B 59 15.751 -11.381 13.384 1.00 0.00 H new ATOM 0 HA PHE B 59 15.785 -14.218 13.609 1.00 0.00 H new ATOM 0 HB2 PHE B 59 16.051 -12.800 11.538 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.582 -12.197 12.141 1.00 0.00 H new ATOM 0 HD1 PHE B 59 19.571 -13.699 12.315 1.00 0.00 H new ATOM 0 HD2 PHE B 59 15.830 -15.083 10.662 1.00 0.00 H new ATOM 0 HE1 PHE B 59 20.733 -15.678 11.340 1.00 0.00 H new ATOM 0 HE2 PHE B 59 16.993 -17.062 9.688 1.00 0.00 H new ATOM 0 HZ PHE B 59 19.443 -17.358 10.027 1.00 0.00 H new ATOM 1743 N ILE B 60 18.553 -12.825 14.710 1.00 0.00 N ATOM 1744 CA ILE B 60 19.750 -13.137 15.543 1.00 0.00 C ATOM 1745 C ILE B 60 19.322 -13.487 16.971 1.00 0.00 C ATOM 1746 O ILE B 60 19.744 -14.479 17.530 1.00 0.00 O ATOM 1747 CB ILE B 60 20.586 -11.858 15.532 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.950 -11.500 14.088 1.00 0.00 C ATOM 1749 CG2 ILE B 60 21.866 -12.075 16.339 1.00 0.00 C ATOM 1750 CD1 ILE B 60 20.969 -9.979 13.928 1.00 0.00 C ATOM 0 H ILE B 60 18.483 -11.857 14.395 1.00 0.00 H new ATOM 0 HA ILE B 60 20.309 -13.991 15.160 1.00 0.00 H new ATOM 0 HB ILE B 60 20.011 -11.046 15.976 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.925 -11.915 13.834 1.00 0.00 H new ATOM 0 HG13 ILE B 60 20.228 -11.940 13.400 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.461 -11.162 16.330 1.00 0.00 H new ATOM 0 HG22 ILE B 60 21.609 -12.331 17.367 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.442 -12.888 15.896 1.00 0.00 H new ATOM 0 HD11 ILE B 60 21.228 -9.724 12.900 1.00 0.00 H new ATOM 0 HD12 ILE B 60 19.984 -9.576 14.164 1.00 0.00 H new ATOM 0 HD13 ILE B 60 21.708 -9.551 14.605 1.00 0.00 H new ATOM 1762 N ALA B 61 18.488 -12.679 17.565 1.00 0.00 N ATOM 1763 CA ALA B 61 18.033 -12.966 18.956 1.00 0.00 C ATOM 1764 C ALA B 61 17.428 -14.370 19.034 1.00 0.00 C ATOM 1765 O ALA B 61 17.398 -14.987 20.080 1.00 0.00 O ATOM 1766 CB ALA B 61 16.972 -11.907 19.253 1.00 0.00 C ATOM 0 H ALA B 61 18.101 -11.832 17.148 1.00 0.00 H new ATOM 0 HA ALA B 61 18.852 -12.933 19.674 1.00 0.00 H new ATOM 0 HB1 ALA B 61 16.587 -12.051 20.262 1.00 0.00 H new ATOM 0 HB2 ALA B 61 17.416 -10.915 19.172 1.00 0.00 H new ATOM 0 HB3 ALA B 61 16.156 -11.999 18.536 1.00 0.00 H new ATOM 1772 N ALA B 62 16.945 -14.880 17.933 1.00 0.00 N ATOM 1773 CA ALA B 62 16.341 -16.244 17.945 1.00 0.00 C ATOM 1774 C ALA B 62 17.401 -17.293 17.593 1.00 0.00 C ATOM 1775 O ALA B 62 17.830 -18.061 18.431 1.00 0.00 O ATOM 1776 CB ALA B 62 15.251 -16.203 16.874 1.00 0.00 C ATOM 0 H ALA B 62 16.942 -14.412 17.027 1.00 0.00 H new ATOM 0 HA ALA B 62 15.941 -16.511 18.923 1.00 0.00 H new ATOM 0 HB1 ALA B 62 14.757 -17.173 16.820 1.00 0.00 H new ATOM 0 HB2 ALA B 62 14.519 -15.437 17.129 1.00 0.00 H new ATOM 0 HB3 ALA B 62 15.699 -15.970 15.908 1.00 0.00 H new ATOM 1782 N SER B 63 17.824 -17.331 16.359 1.00 0.00 N ATOM 1783 CA SER B 63 18.855 -18.330 15.956 1.00 0.00 C ATOM 1784 C SER B 63 19.556 -17.879 14.672 1.00 0.00 C ATOM 1785 O SER B 63 18.999 -17.041 13.979 1.00 0.00 O ATOM 1786 CB SER B 63 18.078 -19.624 15.716 1.00 0.00 C ATOM 1787 OG SER B 63 17.899 -20.300 16.954 1.00 0.00 O ATOM 1788 OXT SER B 63 20.635 -18.378 14.402 1.00 0.00 O ATOM 0 H SER B 63 17.501 -16.715 15.613 1.00 0.00 H new ATOM 0 HA SER B 63 19.629 -18.453 16.713 1.00 0.00 H new ATOM 0 HB2 SER B 63 17.110 -19.403 15.266 1.00 0.00 H new ATOM 0 HB3 SER B 63 18.617 -20.261 15.015 1.00 0.00 H new ATOM 0 HG SER B 63 18.083 -19.683 17.693 1.00 0.00 H new TER 1794 SER B 63