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= -1.71 K(o=-1.7,f=-0.72) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -167:sc= 0 (180deg=-0.279) USER MOD Single : A 18 SER OG : rot -70:sc= 0.177 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0929 K(o=-0.093,f=-3.7!) USER MOD Single : A 24 GLN : amide:sc= -0.868 X(o=-0.87,f=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.038) USER MOD Single : A 33 MET CE :methyl -173:sc= -1.36 (180deg=-1.46) USER MOD Single : A 34 MET CE :methyl 151:sc= -0.528 (180deg=-2.24!) USER MOD Single : A 35 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -6.25! C(o=-6.3!,f=-5.8!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.308 K(o=-0.31,f=-3.5!) USER MOD Single : A 47 GLN : amide:sc= -1.88! C(o=-1.9!,f=-2.1!) USER MOD Single : A 51 GLN : amide:sc= -0.749 X(o=-0.75,f=-1.1) USER MOD Single : A 53 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 63 SER OG : rot 140:sc= -0.37 USER MOD Single : B 12 ASN : amide:sc= -1.71 K(o=-1.7,f=-0.74) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 MET CE :methyl -167:sc= 0 (180deg=-0.269) USER MOD Single : B 18 SER OG : rot -76:sc= 0.167 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.142 K(o=-0.14,f=-3.7!) USER MOD Single : B 24 GLN : amide:sc= -0.808 X(o=-0.81,f=-1.2) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.045) USER MOD Single : B 33 MET CE :methyl -172:sc= -2.37! (180deg=-2.64!) USER MOD Single : B 34 MET CE :methyl 148:sc= -0.652 (180deg=-2.61!) USER MOD Single : B 35 GLN : amide:sc=-0.00453 X(o=-0.0045,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -6! C(o=-6!,f=-5.8!) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 ASN : amide:sc= -0.21 K(o=-0.21,f=-3.5!) USER MOD Single : B 47 GLN : amide:sc= -1.89! C(o=-1.9!,f=-2.1!) USER MOD Single : B 51 GLN : amide:sc= -0.732 X(o=-0.73,f=-1.2) USER MOD Single : B 53 HIS : no HD1:sc=-0.00453 X(o=-0.0045,f=0) USER MOD Single : B 54 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 63 SER OG : rot 140:sc= -0.352 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -11.801 25.540 -30.201 1.00 0.00 N ATOM 2 CA LEU A 8 -11.799 24.323 -29.339 1.00 0.00 C ATOM 3 C LEU A 8 -13.011 24.336 -28.403 1.00 0.00 C ATOM 4 O LEU A 8 -13.138 25.191 -27.548 1.00 0.00 O ATOM 5 CB LEU A 8 -10.501 24.408 -28.536 1.00 0.00 C ATOM 6 CG LEU A 8 -9.354 23.811 -29.355 1.00 0.00 C ATOM 7 CD1 LEU A 8 -8.843 24.851 -30.353 1.00 0.00 C ATOM 8 CD2 LEU A 8 -8.216 23.405 -28.415 1.00 0.00 C ATOM 0 HA LEU A 8 -11.858 23.404 -29.922 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.282 25.446 -28.287 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.608 23.870 -27.594 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.711 22.935 -29.896 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.026 24.425 -30.936 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.653 25.142 -31.022 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.485 25.728 -29.813 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.398 22.980 -28.996 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.859 24.282 -27.875 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.579 22.664 -27.703 1.00 0.00 H new ATOM 20 N GLU A 9 -13.901 23.394 -28.557 1.00 0.00 N ATOM 21 CA GLU A 9 -15.103 23.354 -27.675 1.00 0.00 C ATOM 22 C GLU A 9 -15.713 21.946 -27.675 1.00 0.00 C ATOM 23 O GLU A 9 -16.796 21.744 -28.188 1.00 0.00 O ATOM 24 CB GLU A 9 -16.078 24.361 -28.288 1.00 0.00 C ATOM 25 CG GLU A 9 -16.886 25.031 -27.175 1.00 0.00 C ATOM 26 CD GLU A 9 -18.087 25.758 -27.784 1.00 0.00 C ATOM 27 OE1 GLU A 9 -18.901 25.098 -28.407 1.00 0.00 O ATOM 28 OE2 GLU A 9 -18.170 26.964 -27.616 1.00 0.00 O ATOM 0 H GLU A 9 -13.848 22.651 -29.254 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.864 23.597 -26.640 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.531 25.112 -28.858 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.747 23.857 -28.985 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.225 24.284 -26.457 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.259 25.736 -26.629 1.00 0.00 H new ATOM 35 N PRO A 10 -14.994 21.013 -27.099 1.00 0.00 N ATOM 36 CA PRO A 10 -15.481 19.613 -27.038 1.00 0.00 C ATOM 37 C PRO A 10 -16.623 19.488 -26.026 1.00 0.00 C ATOM 38 O PRO A 10 -17.679 18.971 -26.330 1.00 0.00 O ATOM 39 CB PRO A 10 -14.257 18.825 -26.579 1.00 0.00 C ATOM 40 CG PRO A 10 -13.412 19.816 -25.845 1.00 0.00 C ATOM 41 CD PRO A 10 -13.680 21.166 -26.457 1.00 0.00 C ATOM 0 HA PRO A 10 -15.878 19.256 -27.988 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.542 17.994 -25.933 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.720 18.400 -27.427 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.657 19.819 -24.783 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.356 19.558 -25.928 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.695 21.951 -25.701 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.911 21.435 -27.181 1.00 0.00 H new ATOM 49 N ASP A 11 -16.416 19.961 -24.824 1.00 0.00 N ATOM 50 CA ASP A 11 -17.482 19.877 -23.775 1.00 0.00 C ATOM 51 C ASP A 11 -17.842 18.416 -23.497 1.00 0.00 C ATOM 52 O ASP A 11 -17.386 17.826 -22.539 1.00 0.00 O ATOM 53 CB ASP A 11 -18.686 20.631 -24.348 1.00 0.00 C ATOM 54 CG ASP A 11 -18.922 21.906 -23.536 1.00 0.00 C ATOM 55 OD1 ASP A 11 -19.175 21.790 -22.348 1.00 0.00 O ATOM 56 OD2 ASP A 11 -18.846 22.977 -24.116 1.00 0.00 O ATOM 0 H ASP A 11 -15.549 20.405 -24.520 1.00 0.00 H new ATOM 0 HA ASP A 11 -17.154 20.308 -22.829 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -18.508 20.881 -25.394 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -19.573 19.998 -24.318 1.00 0.00 H new ATOM 61 N ASN A 12 -18.658 17.826 -24.327 1.00 0.00 N ATOM 62 CA ASN A 12 -19.045 16.403 -24.109 1.00 0.00 C ATOM 63 C ASN A 12 -19.540 15.784 -25.419 1.00 0.00 C ATOM 64 O ASN A 12 -20.612 15.216 -25.484 1.00 0.00 O ATOM 65 CB ASN A 12 -20.172 16.455 -23.075 1.00 0.00 C ATOM 66 CG ASN A 12 -20.710 15.044 -22.822 1.00 0.00 C ATOM 67 OD1 ASN A 12 -21.880 14.869 -22.549 1.00 0.00 O ATOM 68 ND2 ASN A 12 -19.899 14.024 -22.903 1.00 0.00 N ATOM 0 H ASN A 12 -19.074 18.268 -25.147 1.00 0.00 H new ATOM 0 HA ASN A 12 -18.209 15.792 -23.768 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -19.804 16.886 -22.144 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.974 17.102 -23.430 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -20.248 13.080 -22.737 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.916 14.171 -23.132 1.00 0.00 H new ATOM 75 N VAL A 13 -18.768 15.892 -26.466 1.00 0.00 N ATOM 76 CA VAL A 13 -19.196 15.312 -27.770 1.00 0.00 C ATOM 77 C VAL A 13 -18.748 13.839 -27.869 1.00 0.00 C ATOM 78 O VAL A 13 -19.539 12.984 -28.218 1.00 0.00 O ATOM 79 CB VAL A 13 -18.535 16.215 -28.834 1.00 0.00 C ATOM 80 CG1 VAL A 13 -18.243 15.438 -30.126 1.00 0.00 C ATOM 81 CG2 VAL A 13 -19.483 17.372 -29.159 1.00 0.00 C ATOM 0 H VAL A 13 -17.860 16.357 -26.474 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.278 15.291 -27.901 1.00 0.00 H new ATOM 0 HB VAL A 13 -17.591 16.584 -28.433 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.778 16.103 -30.853 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -17.568 14.610 -29.908 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -19.175 15.048 -30.535 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -19.026 18.017 -29.910 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -20.422 16.975 -29.544 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.676 17.949 -28.255 1.00 0.00 H new ATOM 91 N PRO A 14 -17.499 13.581 -27.561 1.00 0.00 N ATOM 92 CA PRO A 14 -16.984 12.198 -27.626 1.00 0.00 C ATOM 93 C PRO A 14 -17.348 11.436 -26.347 1.00 0.00 C ATOM 94 O PRO A 14 -18.184 10.554 -26.357 1.00 0.00 O ATOM 95 CB PRO A 14 -15.476 12.384 -27.748 1.00 0.00 C ATOM 96 CG PRO A 14 -15.181 13.729 -27.152 1.00 0.00 C ATOM 97 CD PRO A 14 -16.464 14.527 -27.131 1.00 0.00 C ATOM 0 HA PRO A 14 -17.400 11.619 -28.450 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.941 11.596 -27.219 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.160 12.340 -28.790 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.785 13.619 -26.142 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -14.421 14.246 -27.738 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.672 14.915 -26.134 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.408 15.384 -27.802 1.00 0.00 H new ATOM 105 N MET A 15 -16.733 11.773 -25.246 1.00 0.00 N ATOM 106 CA MET A 15 -17.049 11.072 -23.968 1.00 0.00 C ATOM 107 C MET A 15 -16.248 11.687 -22.818 1.00 0.00 C ATOM 108 O MET A 15 -15.108 11.336 -22.587 1.00 0.00 O ATOM 109 CB MET A 15 -16.635 9.616 -24.191 1.00 0.00 C ATOM 110 CG MET A 15 -17.708 8.687 -23.622 1.00 0.00 C ATOM 111 SD MET A 15 -17.887 7.241 -24.696 1.00 0.00 S ATOM 112 CE MET A 15 -19.347 6.539 -23.891 1.00 0.00 C ATOM 0 H MET A 15 -16.025 12.504 -25.176 1.00 0.00 H new ATOM 0 HA MET A 15 -18.103 11.156 -23.705 1.00 0.00 H new ATOM 0 HB2 MET A 15 -16.500 9.424 -25.256 1.00 0.00 H new ATOM 0 HB3 MET A 15 -15.677 9.421 -23.708 1.00 0.00 H new ATOM 0 HG2 MET A 15 -17.435 8.373 -22.614 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.658 9.216 -23.545 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.638 5.621 -24.402 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.117 6.317 -22.849 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.167 7.255 -23.937 1.00 0.00 H new ATOM 122 N ASP A 16 -16.834 12.602 -22.095 1.00 0.00 N ATOM 123 CA ASP A 16 -16.102 13.236 -20.961 1.00 0.00 C ATOM 124 C ASP A 16 -17.093 13.770 -19.923 1.00 0.00 C ATOM 125 O ASP A 16 -17.122 14.947 -19.625 1.00 0.00 O ATOM 126 CB ASP A 16 -15.313 14.385 -21.591 1.00 0.00 C ATOM 127 CG ASP A 16 -13.845 14.290 -21.171 1.00 0.00 C ATOM 128 OD1 ASP A 16 -13.323 13.187 -21.167 1.00 0.00 O ATOM 129 OD2 ASP A 16 -13.270 15.319 -20.860 1.00 0.00 O ATOM 0 H ASP A 16 -17.786 12.938 -22.240 1.00 0.00 H new ATOM 0 HA ASP A 16 -15.451 12.531 -20.444 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.394 14.343 -22.677 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.731 15.342 -21.277 1.00 0.00 H new ATOM 134 N MET A 17 -17.906 12.911 -19.369 1.00 0.00 N ATOM 135 CA MET A 17 -18.892 13.371 -18.349 1.00 0.00 C ATOM 136 C MET A 17 -18.177 14.112 -17.217 1.00 0.00 C ATOM 137 O MET A 17 -18.676 15.083 -16.684 1.00 0.00 O ATOM 138 CB MET A 17 -19.545 12.092 -17.826 1.00 0.00 C ATOM 139 CG MET A 17 -18.473 11.179 -17.229 1.00 0.00 C ATOM 140 SD MET A 17 -19.083 9.475 -17.193 1.00 0.00 S ATOM 141 CE MET A 17 -20.352 9.713 -15.926 1.00 0.00 C ATOM 0 H MET A 17 -17.930 11.913 -19.578 1.00 0.00 H new ATOM 0 HA MET A 17 -19.625 14.062 -18.765 1.00 0.00 H new ATOM 0 HB2 MET A 17 -20.292 12.335 -17.071 1.00 0.00 H new ATOM 0 HB3 MET A 17 -20.065 11.579 -18.635 1.00 0.00 H new ATOM 0 HG2 MET A 17 -17.560 11.237 -17.821 1.00 0.00 H new ATOM 0 HG3 MET A 17 -18.221 11.508 -16.221 1.00 0.00 H new ATOM 0 HE1 MET A 17 -20.703 8.742 -15.576 1.00 0.00 H new ATOM 0 HE2 MET A 17 -19.931 10.270 -15.089 1.00 0.00 H new ATOM 0 HE3 MET A 17 -21.188 10.271 -16.348 1.00 0.00 H new ATOM 151 N SER A 18 -17.009 13.662 -16.847 1.00 0.00 N ATOM 152 CA SER A 18 -16.261 14.342 -15.750 1.00 0.00 C ATOM 153 C SER A 18 -15.726 15.695 -16.234 1.00 0.00 C ATOM 154 O SER A 18 -15.763 15.985 -17.414 1.00 0.00 O ATOM 155 CB SER A 18 -15.109 13.398 -15.412 1.00 0.00 C ATOM 156 OG SER A 18 -15.603 12.068 -15.321 1.00 0.00 O ATOM 0 H SER A 18 -16.540 12.854 -17.256 1.00 0.00 H new ATOM 0 HA SER A 18 -16.890 14.542 -14.883 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.336 13.460 -16.178 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.647 13.692 -14.469 1.00 0.00 H new ATOM 0 HG SER A 18 -16.165 11.982 -14.523 1.00 0.00 H new ATOM 162 N PRO A 19 -15.244 16.487 -15.305 1.00 0.00 N ATOM 163 CA PRO A 19 -14.701 17.818 -15.647 1.00 0.00 C ATOM 164 C PRO A 19 -13.223 17.740 -16.060 1.00 0.00 C ATOM 165 O PRO A 19 -12.518 18.728 -16.044 1.00 0.00 O ATOM 166 CB PRO A 19 -14.868 18.606 -14.353 1.00 0.00 C ATOM 167 CG PRO A 19 -14.895 17.585 -13.253 1.00 0.00 C ATOM 168 CD PRO A 19 -15.168 16.229 -13.865 1.00 0.00 C ATOM 0 HA PRO A 19 -15.209 18.273 -16.497 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.046 19.309 -14.214 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.788 19.190 -14.367 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.944 17.576 -12.721 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.666 17.834 -12.524 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.374 15.520 -13.630 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.098 15.803 -13.488 1.00 0.00 H new ATOM 176 N LYS A 20 -12.758 16.580 -16.448 1.00 0.00 N ATOM 177 CA LYS A 20 -11.330 16.424 -16.887 1.00 0.00 C ATOM 178 C LYS A 20 -10.352 16.707 -15.738 1.00 0.00 C ATOM 179 O LYS A 20 -9.669 15.820 -15.268 1.00 0.00 O ATOM 180 CB LYS A 20 -11.135 17.436 -18.022 1.00 0.00 C ATOM 181 CG LYS A 20 -9.880 17.072 -18.817 1.00 0.00 C ATOM 182 CD LYS A 20 -8.640 17.547 -18.058 1.00 0.00 C ATOM 183 CE LYS A 20 -7.728 18.330 -19.006 1.00 0.00 C ATOM 184 NZ LYS A 20 -6.351 18.112 -18.482 1.00 0.00 N ATOM 0 H LYS A 20 -13.310 15.723 -16.481 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.129 15.403 -17.211 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.006 17.437 -18.677 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.042 18.443 -17.614 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.834 15.994 -18.971 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.915 17.534 -19.804 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.934 18.176 -17.218 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.104 16.692 -17.645 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.822 17.971 -20.031 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.984 19.389 -19.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.668 18.619 -19.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.290 18.470 -17.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.133 17.095 -18.492 1.00 0.00 H new ATOM 198 N ALA A 21 -10.267 17.935 -15.294 1.00 0.00 N ATOM 199 CA ALA A 21 -9.319 18.278 -14.186 1.00 0.00 C ATOM 200 C ALA A 21 -9.420 17.259 -13.045 1.00 0.00 C ATOM 201 O ALA A 21 -8.426 16.759 -12.559 1.00 0.00 O ATOM 202 CB ALA A 21 -9.759 19.661 -13.706 1.00 0.00 C ATOM 0 H ALA A 21 -10.814 18.718 -15.651 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.282 18.266 -14.521 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.112 19.986 -12.891 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.690 20.371 -14.530 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.790 19.613 -13.354 1.00 0.00 H new ATOM 208 N LEU A 22 -10.611 16.946 -12.623 1.00 0.00 N ATOM 209 CA LEU A 22 -10.776 15.956 -11.521 1.00 0.00 C ATOM 210 C LEU A 22 -10.659 14.544 -12.086 1.00 0.00 C ATOM 211 O LEU A 22 -10.045 13.672 -11.503 1.00 0.00 O ATOM 212 CB LEU A 22 -12.185 16.195 -10.977 1.00 0.00 C ATOM 213 CG LEU A 22 -12.193 17.453 -10.108 1.00 0.00 C ATOM 214 CD1 LEU A 22 -12.012 18.684 -10.997 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.528 17.552 -9.366 1.00 0.00 C ATOM 0 H LEU A 22 -11.480 17.332 -12.993 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.019 16.064 -10.744 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.890 16.306 -11.801 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.511 15.335 -10.392 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.379 17.402 -9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.017 19.582 -10.380 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.062 18.614 -11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.827 18.735 -11.719 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.534 18.449 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.343 17.604 -10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.659 16.673 -8.734 1.00 0.00 H new ATOM 227 N GLN A 23 -11.251 14.319 -13.223 1.00 0.00 N ATOM 228 CA GLN A 23 -11.189 12.965 -13.849 1.00 0.00 C ATOM 229 C GLN A 23 -9.737 12.482 -13.933 1.00 0.00 C ATOM 230 O GLN A 23 -9.410 11.393 -13.505 1.00 0.00 O ATOM 231 CB GLN A 23 -11.772 13.151 -15.250 1.00 0.00 C ATOM 232 CG GLN A 23 -12.018 11.782 -15.887 1.00 0.00 C ATOM 233 CD GLN A 23 -12.217 11.949 -17.394 1.00 0.00 C ATOM 234 OE1 GLN A 23 -11.833 12.952 -17.962 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.808 11.002 -18.071 1.00 0.00 N ATOM 0 H GLN A 23 -11.778 15.015 -13.750 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.737 12.220 -13.272 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -12.705 13.711 -15.195 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.086 13.733 -15.866 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.173 11.121 -15.692 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -12.897 11.315 -15.443 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -13.131 10.160 -17.595 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.947 11.104 -19.076 1.00 0.00 H new ATOM 244 N GLN A 24 -8.867 13.283 -14.485 1.00 0.00 N ATOM 245 CA GLN A 24 -7.438 12.867 -14.598 1.00 0.00 C ATOM 246 C GLN A 24 -6.805 12.755 -13.209 1.00 0.00 C ATOM 247 O GLN A 24 -6.233 11.742 -12.857 1.00 0.00 O ATOM 248 CB GLN A 24 -6.767 13.979 -15.405 1.00 0.00 C ATOM 249 CG GLN A 24 -5.266 13.701 -15.508 1.00 0.00 C ATOM 250 CD GLN A 24 -5.038 12.417 -16.307 1.00 0.00 C ATOM 251 OE1 GLN A 24 -5.780 12.116 -17.221 1.00 0.00 O ATOM 252 NE2 GLN A 24 -4.034 11.641 -15.999 1.00 0.00 N ATOM 0 H GLN A 24 -9.082 14.206 -14.862 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.328 11.892 -15.074 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.206 14.036 -16.401 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.937 14.943 -14.926 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.763 14.538 -15.993 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.834 13.603 -14.512 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.411 11.893 -15.232 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.873 10.782 -16.526 1.00 0.00 H new ATOM 261 N LYS A 25 -6.900 13.788 -12.417 1.00 0.00 N ATOM 262 CA LYS A 25 -6.300 13.740 -11.051 1.00 0.00 C ATOM 263 C LYS A 25 -6.796 12.504 -10.296 1.00 0.00 C ATOM 264 O LYS A 25 -6.051 11.856 -9.588 1.00 0.00 O ATOM 265 CB LYS A 25 -6.780 15.017 -10.363 1.00 0.00 C ATOM 266 CG LYS A 25 -5.610 15.994 -10.227 1.00 0.00 C ATOM 267 CD LYS A 25 -5.553 16.897 -11.461 1.00 0.00 C ATOM 268 CE LYS A 25 -4.095 17.105 -11.875 1.00 0.00 C ATOM 269 NZ LYS A 25 -4.116 18.293 -12.773 1.00 0.00 N ATOM 0 H LYS A 25 -7.367 14.663 -12.656 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.212 13.677 -11.081 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.584 15.474 -10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.188 14.782 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.729 16.597 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.674 15.445 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.114 16.447 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.021 17.857 -11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.459 17.277 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.702 16.228 -12.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.150 18.499 -13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.724 18.097 -13.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.489 19.114 -12.254 1.00 0.00 H new ATOM 283 N ILE A 26 -8.051 12.172 -10.439 1.00 0.00 N ATOM 284 CA ILE A 26 -8.592 10.979 -9.726 1.00 0.00 C ATOM 285 C ILE A 26 -8.117 9.693 -10.410 1.00 0.00 C ATOM 286 O ILE A 26 -7.543 8.823 -9.784 1.00 0.00 O ATOM 287 CB ILE A 26 -10.111 11.113 -9.831 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.564 12.366 -9.077 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.776 9.881 -9.212 1.00 0.00 C ATOM 290 CD1 ILE A 26 -12.023 12.670 -9.423 1.00 0.00 C ATOM 0 H ILE A 26 -8.724 12.674 -11.018 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.257 10.929 -8.690 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.397 11.193 -10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.458 12.215 -8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.932 13.213 -9.344 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.859 9.976 -9.287 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.453 8.987 -9.745 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.490 9.802 -8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.346 13.562 -8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.115 12.839 -10.496 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.649 11.826 -9.134 1.00 0.00 H new ATOM 302 N HIS A 27 -8.353 9.565 -11.686 1.00 0.00 N ATOM 303 CA HIS A 27 -7.915 8.334 -12.405 1.00 0.00 C ATOM 304 C HIS A 27 -6.389 8.212 -12.368 1.00 0.00 C ATOM 305 O HIS A 27 -5.844 7.127 -12.391 1.00 0.00 O ATOM 306 CB HIS A 27 -8.402 8.522 -13.844 1.00 0.00 C ATOM 307 CG HIS A 27 -8.554 7.177 -14.500 1.00 0.00 C ATOM 308 ND1 HIS A 27 -9.080 7.033 -15.774 1.00 0.00 N ATOM 309 CD2 HIS A 27 -8.254 5.908 -14.073 1.00 0.00 C ATOM 310 CE1 HIS A 27 -9.080 5.720 -16.066 1.00 0.00 C ATOM 311 NE2 HIS A 27 -8.586 4.989 -15.062 1.00 0.00 N ATOM 0 H HIS A 27 -8.830 10.258 -12.262 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.317 7.427 -11.952 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.354 9.052 -13.851 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.693 9.133 -14.403 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.825 5.660 -13.113 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.436 5.307 -16.998 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.476 3.975 -15.029 1.00 0.00 H new ATOM 319 N GLU A 28 -5.696 9.316 -12.311 1.00 0.00 N ATOM 320 CA GLU A 28 -4.207 9.260 -12.273 1.00 0.00 C ATOM 321 C GLU A 28 -3.726 8.889 -10.867 1.00 0.00 C ATOM 322 O GLU A 28 -2.896 8.019 -10.694 1.00 0.00 O ATOM 323 CB GLU A 28 -3.748 10.672 -12.641 1.00 0.00 C ATOM 324 CG GLU A 28 -2.221 10.744 -12.585 1.00 0.00 C ATOM 325 CD GLU A 28 -1.627 9.838 -13.666 1.00 0.00 C ATOM 326 OE1 GLU A 28 -1.897 10.082 -14.829 1.00 0.00 O ATOM 327 OE2 GLU A 28 -0.911 8.916 -13.310 1.00 0.00 O ATOM 0 H GLU A 28 -6.096 10.254 -12.289 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.805 8.510 -12.954 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.098 10.931 -13.640 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.182 11.398 -11.953 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.889 11.771 -12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.868 10.434 -11.601 1.00 0.00 H new ATOM 334 N LEU A 29 -4.241 9.543 -9.861 1.00 0.00 N ATOM 335 CA LEU A 29 -3.812 9.227 -8.469 1.00 0.00 C ATOM 336 C LEU A 29 -4.207 7.793 -8.103 1.00 0.00 C ATOM 337 O LEU A 29 -3.447 7.066 -7.495 1.00 0.00 O ATOM 338 CB LEU A 29 -4.559 10.229 -7.588 1.00 0.00 C ATOM 339 CG LEU A 29 -3.813 11.565 -7.588 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.687 12.638 -6.938 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.511 11.420 -6.796 1.00 0.00 C ATOM 0 H LEU A 29 -4.940 10.282 -9.943 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.731 9.299 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.575 10.368 -7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.640 9.846 -6.571 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.586 11.855 -8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.155 13.590 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.615 12.741 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.914 12.350 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.978 12.371 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.739 11.131 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.887 10.655 -7.258 1.00 0.00 H new ATOM 353 N GLU A 30 -5.390 7.382 -8.469 1.00 0.00 N ATOM 354 CA GLU A 30 -5.831 5.995 -8.142 1.00 0.00 C ATOM 355 C GLU A 30 -4.822 4.977 -8.676 1.00 0.00 C ATOM 356 O GLU A 30 -4.402 4.078 -7.974 1.00 0.00 O ATOM 357 CB GLU A 30 -7.179 5.834 -8.845 1.00 0.00 C ATOM 358 CG GLU A 30 -7.985 4.730 -8.157 1.00 0.00 C ATOM 359 CD GLU A 30 -8.568 3.790 -9.214 1.00 0.00 C ATOM 360 OE1 GLU A 30 -7.913 3.588 -10.224 1.00 0.00 O ATOM 361 OE2 GLU A 30 -9.658 3.288 -8.995 1.00 0.00 O ATOM 0 H GLU A 30 -6.070 7.945 -8.980 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.908 5.829 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.731 6.774 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.026 5.586 -9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.347 4.172 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.787 5.167 -7.562 1.00 0.00 H new ATOM 368 N GLY A 31 -4.426 5.110 -9.912 1.00 0.00 N ATOM 369 CA GLY A 31 -3.444 4.147 -10.488 1.00 0.00 C ATOM 370 C GLY A 31 -2.086 4.338 -9.811 1.00 0.00 C ATOM 371 O GLY A 31 -1.281 3.430 -9.747 1.00 0.00 O ATOM 0 H GLY A 31 -4.739 5.843 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.794 3.125 -10.344 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.352 4.304 -11.563 1.00 0.00 H new ATOM 375 N LEU A 32 -1.824 5.512 -9.306 1.00 0.00 N ATOM 376 CA LEU A 32 -0.517 5.759 -8.632 1.00 0.00 C ATOM 377 C LEU A 32 -0.454 5.005 -7.302 1.00 0.00 C ATOM 378 O LEU A 32 0.605 4.639 -6.834 1.00 0.00 O ATOM 379 CB LEU A 32 -0.475 7.269 -8.395 1.00 0.00 C ATOM 380 CG LEU A 32 0.979 7.739 -8.342 1.00 0.00 C ATOM 381 CD1 LEU A 32 1.495 7.968 -9.764 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.062 9.050 -7.556 1.00 0.00 C ATOM 0 H LEU A 32 -2.458 6.311 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 32 0.327 5.415 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.007 7.788 -9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.982 7.515 -7.462 1.00 0.00 H new ATOM 0 HG LEU A 32 1.588 6.979 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.532 8.303 -9.725 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.435 7.037 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.886 8.728 -10.254 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.098 9.386 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.453 9.808 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.694 8.890 -6.542 1.00 0.00 H new ATOM 394 N MET A 33 -1.582 4.771 -6.688 1.00 0.00 N ATOM 395 CA MET A 33 -1.587 4.041 -5.388 1.00 0.00 C ATOM 396 C MET A 33 -0.954 2.656 -5.553 1.00 0.00 C ATOM 397 O MET A 33 0.046 2.343 -4.938 1.00 0.00 O ATOM 398 CB MET A 33 -3.063 3.915 -5.010 1.00 0.00 C ATOM 399 CG MET A 33 -3.455 5.076 -4.095 1.00 0.00 C ATOM 400 SD MET A 33 -5.139 5.613 -4.489 1.00 0.00 S ATOM 401 CE MET A 33 -6.007 4.429 -3.431 1.00 0.00 C ATOM 0 H MET A 33 -2.500 5.054 -7.030 1.00 0.00 H new ATOM 0 HA MET A 33 -1.013 4.561 -4.621 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.681 3.921 -5.908 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.241 2.965 -4.506 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.395 4.767 -3.051 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.758 5.905 -4.222 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.080 4.498 -3.612 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.665 3.419 -3.658 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.800 4.656 -2.385 1.00 0.00 H new ATOM 411 N MET A 34 -1.529 1.824 -6.378 1.00 0.00 N ATOM 412 CA MET A 34 -0.958 0.460 -6.579 1.00 0.00 C ATOM 413 C MET A 34 0.525 0.558 -6.951 1.00 0.00 C ATOM 414 O MET A 34 1.340 -0.221 -6.500 1.00 0.00 O ATOM 415 CB MET A 34 -1.763 -0.141 -7.732 1.00 0.00 C ATOM 416 CG MET A 34 -1.576 -1.660 -7.751 1.00 0.00 C ATOM 417 SD MET A 34 -2.289 -2.380 -6.250 1.00 0.00 S ATOM 418 CE MET A 34 -3.962 -1.717 -6.449 1.00 0.00 C ATOM 0 H MET A 34 -2.368 2.028 -6.921 1.00 0.00 H new ATOM 0 HA MET A 34 -1.020 -0.151 -5.678 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.819 0.104 -7.618 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.436 0.288 -8.679 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.056 -2.084 -8.633 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.516 -1.905 -7.816 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.679 -2.392 -5.982 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.024 -0.738 -5.974 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.192 -1.621 -7.510 1.00 0.00 H new ATOM 428 N GLN A 35 0.878 1.512 -7.768 1.00 0.00 N ATOM 429 CA GLN A 35 2.308 1.663 -8.167 1.00 0.00 C ATOM 430 C GLN A 35 3.196 1.738 -6.921 1.00 0.00 C ATOM 431 O GLN A 35 3.895 0.803 -6.588 1.00 0.00 O ATOM 432 CB GLN A 35 2.359 2.979 -8.947 1.00 0.00 C ATOM 433 CG GLN A 35 3.809 3.316 -9.303 1.00 0.00 C ATOM 434 CD GLN A 35 4.035 3.084 -10.798 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.752 2.182 -11.183 1.00 0.00 O ATOM 436 NE2 GLN A 35 3.451 3.868 -11.663 1.00 0.00 N ATOM 0 H GLN A 35 0.239 2.194 -8.177 1.00 0.00 H new ATOM 0 HA GLN A 35 2.667 0.823 -8.761 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.762 2.897 -9.855 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.925 3.782 -8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.025 4.354 -9.048 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.491 2.696 -8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.849 4.625 -11.340 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.597 3.723 -12.662 1.00 0.00 H new ATOM 445 N HIS A 36 3.171 2.845 -6.232 1.00 0.00 N ATOM 446 CA HIS A 36 4.012 2.983 -5.009 1.00 0.00 C ATOM 447 C HIS A 36 3.760 1.806 -4.056 1.00 0.00 C ATOM 448 O HIS A 36 4.684 1.203 -3.546 1.00 0.00 O ATOM 449 CB HIS A 36 3.568 4.305 -4.385 1.00 0.00 C ATOM 450 CG HIS A 36 3.974 5.444 -5.283 1.00 0.00 C ATOM 451 ND1 HIS A 36 4.908 5.293 -6.297 1.00 0.00 N ATOM 452 CD2 HIS A 36 3.576 6.757 -5.334 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.040 6.484 -6.908 1.00 0.00 C ATOM 454 NE2 HIS A 36 4.251 7.411 -6.361 1.00 0.00 N ATOM 0 H HIS A 36 2.604 3.661 -6.463 1.00 0.00 H new ATOM 0 HA HIS A 36 5.080 2.977 -5.228 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.487 4.308 -4.242 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.020 4.425 -3.400 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.850 7.213 -4.677 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.704 6.668 -7.740 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.162 8.389 -6.636 1.00 0.00 H new ATOM 462 N ALA A 37 2.520 1.463 -3.822 1.00 0.00 N ATOM 463 CA ALA A 37 2.218 0.313 -2.918 1.00 0.00 C ATOM 464 C ALA A 37 2.965 -0.927 -3.416 1.00 0.00 C ATOM 465 O ALA A 37 3.561 -1.658 -2.650 1.00 0.00 O ATOM 466 CB ALA A 37 0.706 0.110 -3.026 1.00 0.00 C ATOM 0 H ALA A 37 1.704 1.929 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 37 2.525 0.491 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.404 -0.721 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.193 1.017 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.442 -0.112 -4.060 1.00 0.00 H new ATOM 472 N GLN A 38 2.949 -1.159 -4.705 1.00 0.00 N ATOM 473 CA GLN A 38 3.671 -2.339 -5.260 1.00 0.00 C ATOM 474 C GLN A 38 5.154 -2.228 -4.911 1.00 0.00 C ATOM 475 O GLN A 38 5.830 -3.213 -4.688 1.00 0.00 O ATOM 476 CB GLN A 38 3.462 -2.266 -6.773 1.00 0.00 C ATOM 477 CG GLN A 38 2.235 -3.094 -7.160 1.00 0.00 C ATOM 478 CD GLN A 38 2.566 -3.963 -8.374 1.00 0.00 C ATOM 479 OE1 GLN A 38 2.852 -3.454 -9.440 1.00 0.00 O ATOM 480 NE2 GLN A 38 2.537 -5.263 -8.259 1.00 0.00 N ATOM 0 H GLN A 38 2.467 -0.582 -5.394 1.00 0.00 H new ATOM 0 HA GLN A 38 3.308 -3.285 -4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.327 -1.230 -7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.345 -2.641 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.928 -3.722 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.397 -2.436 -7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.297 -5.691 -7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.754 -5.851 -9.064 1.00 0.00 H new ATOM 489 N ASN A 39 5.658 -1.024 -4.835 1.00 0.00 N ATOM 490 CA ASN A 39 7.090 -0.833 -4.469 1.00 0.00 C ATOM 491 C ASN A 39 7.217 -0.706 -2.945 1.00 0.00 C ATOM 492 O ASN A 39 8.231 -0.277 -2.429 1.00 0.00 O ATOM 493 CB ASN A 39 7.506 0.469 -5.154 1.00 0.00 C ATOM 494 CG ASN A 39 7.564 0.254 -6.668 1.00 0.00 C ATOM 495 OD1 ASN A 39 7.023 -0.706 -7.178 1.00 0.00 O ATOM 496 ND2 ASN A 39 8.205 1.113 -7.412 1.00 0.00 N ATOM 0 H ASN A 39 5.138 -0.164 -5.011 1.00 0.00 H new ATOM 0 HA ASN A 39 7.718 -1.668 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.796 1.261 -4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.479 0.792 -4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.252 0.978 -8.422 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.659 1.919 -6.984 1.00 0.00 H new ATOM 503 N LEU A 40 6.189 -1.080 -2.225 1.00 0.00 N ATOM 504 CA LEU A 40 6.221 -0.997 -0.740 1.00 0.00 C ATOM 505 C LEU A 40 6.521 0.427 -0.271 1.00 0.00 C ATOM 506 O LEU A 40 6.914 0.647 0.857 1.00 0.00 O ATOM 507 CB LEU A 40 7.321 -1.965 -0.299 1.00 0.00 C ATOM 508 CG LEU A 40 6.808 -3.402 -0.417 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.943 -3.875 -1.865 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.633 -4.313 0.495 1.00 0.00 C ATOM 0 H LEU A 40 5.319 -1.444 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 40 5.257 -1.259 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.208 -1.832 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.615 -1.755 0.729 1.00 0.00 H new ATOM 0 HG LEU A 40 5.760 -3.439 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.578 -4.899 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.357 -3.226 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.991 -3.838 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.269 -5.337 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.680 -4.275 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.538 -3.977 1.527 1.00 0.00 H new ATOM 522 N GLU A 41 6.309 1.400 -1.112 1.00 0.00 N ATOM 523 CA GLU A 41 6.552 2.807 -0.682 1.00 0.00 C ATOM 524 C GLU A 41 5.550 3.148 0.420 1.00 0.00 C ATOM 525 O GLU A 41 5.912 3.582 1.495 1.00 0.00 O ATOM 526 CB GLU A 41 6.306 3.658 -1.927 1.00 0.00 C ATOM 527 CG GLU A 41 7.313 3.278 -3.014 1.00 0.00 C ATOM 528 CD GLU A 41 8.239 4.463 -3.291 1.00 0.00 C ATOM 529 OE1 GLU A 41 7.890 5.279 -4.129 1.00 0.00 O ATOM 530 OE2 GLU A 41 9.281 4.536 -2.661 1.00 0.00 O ATOM 0 H GLU A 41 5.981 1.285 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 41 7.556 2.974 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.289 3.505 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.402 4.716 -1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.897 2.414 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.789 2.992 -3.926 1.00 0.00 H new ATOM 537 N PHE A 42 4.291 2.910 0.151 1.00 0.00 N ATOM 538 CA PHE A 42 3.203 3.158 1.148 1.00 0.00 C ATOM 539 C PHE A 42 3.097 4.627 1.558 1.00 0.00 C ATOM 540 O PHE A 42 2.053 5.228 1.415 1.00 0.00 O ATOM 541 CB PHE A 42 3.543 2.279 2.354 1.00 0.00 C ATOM 542 CG PHE A 42 2.880 0.931 2.199 1.00 0.00 C ATOM 543 CD1 PHE A 42 1.512 0.854 1.858 1.00 0.00 C ATOM 544 CD2 PHE A 42 3.627 -0.251 2.400 1.00 0.00 C ATOM 545 CE1 PHE A 42 0.889 -0.405 1.720 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.004 -1.510 2.261 1.00 0.00 C ATOM 547 CZ PHE A 42 1.635 -1.586 1.922 1.00 0.00 C ATOM 0 H PHE A 42 3.963 2.544 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 42 2.232 2.914 0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.623 2.157 2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.206 2.758 3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.942 1.758 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.674 -0.191 2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.158 -0.465 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.574 -2.415 2.414 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.158 -2.549 1.817 1.00 0.00 H new ATOM 557 N GLU A 43 4.144 5.217 2.071 1.00 0.00 N ATOM 558 CA GLU A 43 4.059 6.652 2.482 1.00 0.00 C ATOM 559 C GLU A 43 3.417 7.468 1.357 1.00 0.00 C ATOM 560 O GLU A 43 2.380 8.079 1.527 1.00 0.00 O ATOM 561 CB GLU A 43 5.510 7.085 2.707 1.00 0.00 C ATOM 562 CG GLU A 43 5.561 8.592 2.964 1.00 0.00 C ATOM 563 CD GLU A 43 7.004 9.085 2.836 1.00 0.00 C ATOM 564 OE1 GLU A 43 7.433 9.314 1.716 1.00 0.00 O ATOM 565 OE2 GLU A 43 7.655 9.224 3.857 1.00 0.00 O ATOM 0 H GLU A 43 5.049 4.772 2.223 1.00 0.00 H new ATOM 0 HA GLU A 43 3.453 6.801 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.934 6.547 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.115 6.834 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.923 9.115 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.177 8.815 3.959 1.00 0.00 H new ATOM 572 N GLU A 44 4.021 7.457 0.208 1.00 0.00 N ATOM 573 CA GLU A 44 3.450 8.204 -0.944 1.00 0.00 C ATOM 574 C GLU A 44 2.338 7.383 -1.613 1.00 0.00 C ATOM 575 O GLU A 44 1.523 7.910 -2.343 1.00 0.00 O ATOM 576 CB GLU A 44 4.626 8.418 -1.905 1.00 0.00 C ATOM 577 CG GLU A 44 5.101 7.073 -2.464 1.00 0.00 C ATOM 578 CD GLU A 44 6.292 7.301 -3.394 1.00 0.00 C ATOM 579 OE1 GLU A 44 7.394 7.447 -2.888 1.00 0.00 O ATOM 580 OE2 GLU A 44 6.086 7.326 -4.595 1.00 0.00 O ATOM 0 H GLU A 44 4.891 6.961 0.014 1.00 0.00 H new ATOM 0 HA GLU A 44 3.000 9.150 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.324 9.074 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.445 8.914 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.385 6.408 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.291 6.585 -3.006 1.00 0.00 H new ATOM 587 N ALA A 45 2.310 6.093 -1.387 1.00 0.00 N ATOM 588 CA ALA A 45 1.263 5.247 -2.030 1.00 0.00 C ATOM 589 C ALA A 45 -0.060 5.291 -1.266 1.00 0.00 C ATOM 590 O ALA A 45 -1.111 5.500 -1.837 1.00 0.00 O ATOM 591 CB ALA A 45 1.833 3.831 -2.001 1.00 0.00 C ATOM 0 H ALA A 45 2.965 5.592 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 45 1.041 5.599 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.121 3.143 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.770 3.805 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.015 3.533 -0.968 1.00 0.00 H new ATOM 597 N ALA A 46 -0.025 5.058 0.014 1.00 0.00 N ATOM 598 CA ALA A 46 -1.291 5.047 0.798 1.00 0.00 C ATOM 599 C ALA A 46 -1.753 6.465 1.139 1.00 0.00 C ATOM 600 O ALA A 46 -2.912 6.686 1.431 1.00 0.00 O ATOM 601 CB ALA A 46 -0.966 4.246 2.057 1.00 0.00 C ATOM 0 H ALA A 46 0.822 4.875 0.551 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.113 4.604 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.851 4.191 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.656 3.239 1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.159 4.736 2.602 1.00 0.00 H new ATOM 607 N GLN A 47 -0.878 7.434 1.097 1.00 0.00 N ATOM 608 CA GLN A 47 -1.322 8.822 1.413 1.00 0.00 C ATOM 609 C GLN A 47 -2.268 9.313 0.317 1.00 0.00 C ATOM 610 O GLN A 47 -3.126 10.142 0.548 1.00 0.00 O ATOM 611 CB GLN A 47 -0.051 9.676 1.472 1.00 0.00 C ATOM 612 CG GLN A 47 0.605 9.757 0.091 1.00 0.00 C ATOM 613 CD GLN A 47 1.575 10.941 0.061 1.00 0.00 C ATOM 614 OE1 GLN A 47 2.276 11.192 1.021 1.00 0.00 O ATOM 615 NE2 GLN A 47 1.643 11.686 -1.009 1.00 0.00 N ATOM 0 H GLN A 47 0.109 7.328 0.862 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.862 8.878 2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.295 10.678 1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.649 9.248 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.137 8.831 -0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.156 9.876 -0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.055 11.476 -1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.285 12.478 -1.039 1.00 0.00 H new ATOM 624 N ILE A 48 -2.130 8.795 -0.877 1.00 0.00 N ATOM 625 CA ILE A 48 -3.037 9.224 -1.977 1.00 0.00 C ATOM 626 C ILE A 48 -4.486 8.977 -1.559 1.00 0.00 C ATOM 627 O ILE A 48 -5.393 9.670 -1.975 1.00 0.00 O ATOM 628 CB ILE A 48 -2.661 8.345 -3.170 1.00 0.00 C ATOM 629 CG1 ILE A 48 -1.222 8.649 -3.593 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.606 8.635 -4.338 1.00 0.00 C ATOM 631 CD1 ILE A 48 -1.099 10.125 -3.973 1.00 0.00 C ATOM 0 H ILE A 48 -1.432 8.097 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.941 10.283 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.745 7.296 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.536 8.414 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.941 8.021 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.337 8.008 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.632 8.420 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.523 9.684 -4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.073 10.339 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.773 10.345 -4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.362 10.745 -3.116 1.00 0.00 H new ATOM 643 N ARG A 49 -4.703 7.997 -0.725 1.00 0.00 N ATOM 644 CA ARG A 49 -6.087 7.701 -0.258 1.00 0.00 C ATOM 645 C ARG A 49 -6.713 8.973 0.326 1.00 0.00 C ATOM 646 O ARG A 49 -7.909 9.177 0.255 1.00 0.00 O ATOM 647 CB ARG A 49 -5.905 6.622 0.819 1.00 0.00 C ATOM 648 CG ARG A 49 -7.206 6.430 1.606 1.00 0.00 C ATOM 649 CD ARG A 49 -6.952 6.720 3.088 1.00 0.00 C ATOM 650 NE ARG A 49 -6.431 8.116 3.127 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.146 9.064 3.668 1.00 0.00 C ATOM 652 NH1 ARG A 49 -8.430 9.122 3.442 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.578 9.953 4.436 1.00 0.00 N ATOM 0 H ARG A 49 -3.979 7.387 -0.346 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.749 7.364 -1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.611 5.681 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.101 6.908 1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.978 7.096 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.572 5.411 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.868 6.625 3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.232 6.019 3.509 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.516 8.330 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.874 8.426 2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.989 9.863 3.865 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.575 9.907 4.614 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.137 10.694 4.859 1.00 0.00 H new ATOM 667 N ASP A 50 -5.912 9.831 0.895 1.00 0.00 N ATOM 668 CA ASP A 50 -6.458 11.090 1.474 1.00 0.00 C ATOM 669 C ASP A 50 -6.783 12.079 0.353 1.00 0.00 C ATOM 670 O ASP A 50 -7.743 12.820 0.424 1.00 0.00 O ATOM 671 CB ASP A 50 -5.341 11.635 2.366 1.00 0.00 C ATOM 672 CG ASP A 50 -5.912 12.695 3.310 1.00 0.00 C ATOM 673 OD1 ASP A 50 -6.963 13.232 2.999 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.290 12.951 4.327 1.00 0.00 O ATOM 0 H ASP A 50 -4.903 9.714 0.984 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.378 10.926 2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.892 10.825 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.550 12.067 1.753 1.00 0.00 H new ATOM 679 N GLN A 51 -5.989 12.094 -0.684 1.00 0.00 N ATOM 680 CA GLN A 51 -6.254 13.033 -1.811 1.00 0.00 C ATOM 681 C GLN A 51 -7.415 12.514 -2.664 1.00 0.00 C ATOM 682 O GLN A 51 -8.282 13.262 -3.071 1.00 0.00 O ATOM 683 CB GLN A 51 -4.959 13.052 -2.625 1.00 0.00 C ATOM 684 CG GLN A 51 -3.789 13.435 -1.717 1.00 0.00 C ATOM 685 CD GLN A 51 -2.470 13.167 -2.443 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.507 12.739 -1.839 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.385 13.403 -3.724 1.00 0.00 N ATOM 0 H GLN A 51 -5.170 11.497 -0.799 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.531 14.029 -1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.782 12.073 -3.069 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.044 13.764 -3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.858 14.488 -1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.830 12.861 -0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.194 13.762 -4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.510 13.228 -4.218 1.00 0.00 H new ATOM 696 N LEU A 52 -7.440 11.238 -2.935 1.00 0.00 N ATOM 697 CA LEU A 52 -8.546 10.670 -3.759 1.00 0.00 C ATOM 698 C LEU A 52 -9.890 10.878 -3.056 1.00 0.00 C ATOM 699 O LEU A 52 -10.857 11.302 -3.656 1.00 0.00 O ATOM 700 CB LEU A 52 -8.228 9.178 -3.877 1.00 0.00 C ATOM 701 CG LEU A 52 -8.092 8.797 -5.352 1.00 0.00 C ATOM 702 CD1 LEU A 52 -9.407 9.088 -6.078 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.968 9.620 -5.987 1.00 0.00 C ATOM 0 H LEU A 52 -6.742 10.563 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.621 11.149 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.304 8.950 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.018 8.590 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.859 7.735 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.310 8.816 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.209 8.505 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.640 10.150 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.869 9.350 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.203 10.681 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.030 9.415 -5.470 1.00 0.00 H new ATOM 715 N HIS A 53 -9.957 10.581 -1.786 1.00 0.00 N ATOM 716 CA HIS A 53 -11.238 10.762 -1.045 1.00 0.00 C ATOM 717 C HIS A 53 -11.723 12.208 -1.169 1.00 0.00 C ATOM 718 O HIS A 53 -12.898 12.466 -1.342 1.00 0.00 O ATOM 719 CB HIS A 53 -10.901 10.433 0.410 1.00 0.00 C ATOM 720 CG HIS A 53 -12.035 9.660 1.026 1.00 0.00 C ATOM 721 ND1 HIS A 53 -12.757 10.143 2.106 1.00 0.00 N ATOM 722 CD2 HIS A 53 -12.583 8.438 0.724 1.00 0.00 C ATOM 723 CE1 HIS A 53 -13.691 9.223 2.413 1.00 0.00 C ATOM 724 NE2 HIS A 53 -13.627 8.164 1.602 1.00 0.00 N ATOM 0 H HIS A 53 -9.181 10.221 -1.230 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.034 10.127 -1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.981 9.850 0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.726 11.351 0.970 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.254 7.788 -0.074 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.405 9.329 3.217 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -14.217 7.332 1.622 1.00 0.00 H new ATOM 732 N GLN A 54 -10.829 13.154 -1.084 1.00 0.00 N ATOM 733 CA GLN A 54 -11.240 14.583 -1.196 1.00 0.00 C ATOM 734 C GLN A 54 -11.647 14.906 -2.637 1.00 0.00 C ATOM 735 O GLN A 54 -12.695 15.468 -2.884 1.00 0.00 O ATOM 736 CB GLN A 54 -10.001 15.384 -0.797 1.00 0.00 C ATOM 737 CG GLN A 54 -10.080 15.742 0.688 1.00 0.00 C ATOM 738 CD GLN A 54 -10.778 17.093 0.852 1.00 0.00 C ATOM 739 OE1 GLN A 54 -11.847 17.306 0.316 1.00 0.00 O ATOM 740 NE2 GLN A 54 -10.214 18.023 1.574 1.00 0.00 N ATOM 0 H GLN A 54 -9.831 13.000 -0.942 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.097 14.816 -0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.100 14.803 -0.994 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.933 16.291 -1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.627 14.970 1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.079 15.784 1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.316 17.845 2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.671 18.928 1.688 1.00 0.00 H new ATOM 749 N LEU A 55 -10.825 14.555 -3.588 1.00 0.00 N ATOM 750 CA LEU A 55 -11.165 14.843 -5.012 1.00 0.00 C ATOM 751 C LEU A 55 -12.531 14.248 -5.361 1.00 0.00 C ATOM 752 O LEU A 55 -13.177 14.664 -6.303 1.00 0.00 O ATOM 753 CB LEU A 55 -10.061 14.169 -5.826 1.00 0.00 C ATOM 754 CG LEU A 55 -8.749 14.932 -5.640 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.581 13.945 -5.611 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.560 15.910 -6.804 1.00 0.00 C ATOM 0 H LEU A 55 -9.933 14.082 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.225 15.912 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.940 13.134 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.335 14.147 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.781 15.483 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.647 14.491 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.714 13.248 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.548 13.392 -6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.625 16.455 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.529 15.357 -7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.391 16.615 -6.825 1.00 0.00 H new ATOM 768 N ARG A 56 -12.977 13.277 -4.612 1.00 0.00 N ATOM 769 CA ARG A 56 -14.301 12.657 -4.905 1.00 0.00 C ATOM 770 C ARG A 56 -15.422 13.680 -4.703 1.00 0.00 C ATOM 771 O ARG A 56 -16.246 13.891 -5.571 1.00 0.00 O ATOM 772 CB ARG A 56 -14.433 11.512 -3.900 1.00 0.00 C ATOM 773 CG ARG A 56 -15.800 10.845 -4.062 1.00 0.00 C ATOM 774 CD ARG A 56 -16.532 10.843 -2.718 1.00 0.00 C ATOM 775 NE ARG A 56 -17.807 10.118 -2.976 1.00 0.00 N ATOM 776 CZ ARG A 56 -18.366 9.421 -2.025 1.00 0.00 C ATOM 777 NH1 ARG A 56 -17.721 8.426 -1.479 1.00 0.00 N ATOM 778 NH2 ARG A 56 -19.569 9.719 -1.618 1.00 0.00 N ATOM 0 H ARG A 56 -12.482 12.886 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.374 12.307 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.639 10.782 -4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.320 11.891 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.390 11.378 -4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.677 9.824 -4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.943 10.344 -1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.719 11.858 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.244 10.166 -3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.780 8.193 -1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.158 7.881 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -20.073 10.497 -2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.006 9.174 -0.875 1.00 0.00 H new ATOM 792 N GLU A 57 -15.461 14.316 -3.564 1.00 0.00 N ATOM 793 CA GLU A 57 -16.531 15.324 -3.310 1.00 0.00 C ATOM 794 C GLU A 57 -16.447 16.456 -4.338 1.00 0.00 C ATOM 795 O GLU A 57 -17.448 17.016 -4.741 1.00 0.00 O ATOM 796 CB GLU A 57 -16.247 15.856 -1.904 1.00 0.00 C ATOM 797 CG GLU A 57 -17.291 16.912 -1.537 1.00 0.00 C ATOM 798 CD GLU A 57 -18.491 16.235 -0.872 1.00 0.00 C ATOM 799 OE1 GLU A 57 -18.456 16.064 0.335 1.00 0.00 O ATOM 800 OE2 GLU A 57 -19.426 15.898 -1.581 1.00 0.00 O ATOM 0 H GLU A 57 -14.800 14.182 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.530 14.895 -3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.272 15.039 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.247 16.288 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.856 17.649 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.611 17.448 -2.431 1.00 0.00 H new ATOM 807 N LEU A 58 -15.263 16.795 -4.767 1.00 0.00 N ATOM 808 CA LEU A 58 -15.117 17.891 -5.768 1.00 0.00 C ATOM 809 C LEU A 58 -15.681 17.450 -7.121 1.00 0.00 C ATOM 810 O LEU A 58 -16.049 18.263 -7.945 1.00 0.00 O ATOM 811 CB LEU A 58 -13.612 18.138 -5.869 1.00 0.00 C ATOM 812 CG LEU A 58 -13.120 18.826 -4.594 1.00 0.00 C ATOM 813 CD1 LEU A 58 -11.607 18.644 -4.467 1.00 0.00 C ATOM 814 CD2 LEU A 58 -13.449 20.319 -4.664 1.00 0.00 C ATOM 0 H LEU A 58 -14.390 16.361 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.659 18.791 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.087 17.194 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.392 18.759 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.613 18.383 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.257 19.134 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.371 17.581 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.113 19.087 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.099 20.812 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.955 20.760 -5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.527 20.450 -4.756 1.00 0.00 H new ATOM 826 N PHE A 59 -15.752 16.168 -7.356 1.00 0.00 N ATOM 827 CA PHE A 59 -16.291 15.676 -8.656 1.00 0.00 C ATOM 828 C PHE A 59 -17.719 16.190 -8.864 1.00 0.00 C ATOM 829 O PHE A 59 -18.059 16.701 -9.912 1.00 0.00 O ATOM 830 CB PHE A 59 -16.282 14.153 -8.539 1.00 0.00 C ATOM 831 CG PHE A 59 -16.711 13.543 -9.852 1.00 0.00 C ATOM 832 CD1 PHE A 59 -18.084 13.374 -10.137 1.00 0.00 C ATOM 833 CD2 PHE A 59 -15.739 13.143 -10.796 1.00 0.00 C ATOM 834 CE1 PHE A 59 -18.485 12.805 -11.367 1.00 0.00 C ATOM 835 CE2 PHE A 59 -16.139 12.574 -12.025 1.00 0.00 C ATOM 836 CZ PHE A 59 -17.513 12.404 -12.311 1.00 0.00 C ATOM 0 H PHE A 59 -15.460 15.440 -6.704 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.701 16.022 -9.505 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -15.284 13.804 -8.273 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -16.954 13.835 -7.742 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -18.827 13.679 -9.415 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.689 13.272 -10.578 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -19.535 12.677 -11.586 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.395 12.269 -12.746 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.820 11.968 -13.250 1.00 0.00 H new ATOM 846 N ILE A 60 -18.558 16.058 -7.873 1.00 0.00 N ATOM 847 CA ILE A 60 -19.962 16.538 -8.016 1.00 0.00 C ATOM 848 C ILE A 60 -20.004 18.068 -7.983 1.00 0.00 C ATOM 849 O ILE A 60 -20.665 18.697 -8.785 1.00 0.00 O ATOM 850 CB ILE A 60 -20.704 15.955 -6.813 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.544 14.433 -6.805 1.00 0.00 C ATOM 852 CG2 ILE A 60 -22.189 16.311 -6.907 1.00 0.00 C ATOM 853 CD1 ILE A 60 -19.767 14.007 -5.558 1.00 0.00 C ATOM 0 H ILE A 60 -18.332 15.639 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.410 16.229 -8.960 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.289 16.370 -5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.523 13.954 -6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.018 14.107 -7.703 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.718 15.895 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.304 17.395 -6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.605 15.897 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -19.653 12.923 -5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -18.783 14.475 -5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.311 14.319 -4.666 1.00 0.00 H new ATOM 865 N ALA A 61 -19.304 18.671 -7.060 1.00 0.00 N ATOM 866 CA ALA A 61 -19.305 20.159 -6.978 1.00 0.00 C ATOM 867 C ALA A 61 -18.928 20.766 -8.332 1.00 0.00 C ATOM 868 O ALA A 61 -19.321 21.868 -8.660 1.00 0.00 O ATOM 869 CB ALA A 61 -18.247 20.497 -5.927 1.00 0.00 C ATOM 0 H ALA A 61 -18.732 18.198 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 61 -20.285 20.557 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -18.186 21.579 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -18.521 20.041 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.279 20.112 -6.248 1.00 0.00 H new ATOM 875 N ALA A 62 -18.171 20.054 -9.121 1.00 0.00 N ATOM 876 CA ALA A 62 -17.771 20.591 -10.453 1.00 0.00 C ATOM 877 C ALA A 62 -18.756 20.125 -11.529 1.00 0.00 C ATOM 878 O ALA A 62 -19.409 20.923 -12.173 1.00 0.00 O ATOM 879 CB ALA A 62 -16.380 20.011 -10.713 1.00 0.00 C ATOM 0 H ALA A 62 -17.812 19.125 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 62 -17.769 21.681 -10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.015 20.361 -11.678 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.698 20.336 -9.927 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.435 18.922 -10.719 1.00 0.00 H new ATOM 885 N SER A 63 -18.868 18.841 -11.728 1.00 0.00 N ATOM 886 CA SER A 63 -19.812 18.327 -12.762 1.00 0.00 C ATOM 887 C SER A 63 -20.871 17.431 -12.113 1.00 0.00 C ATOM 888 O SER A 63 -21.485 17.871 -11.155 1.00 0.00 O ATOM 889 CB SER A 63 -18.943 17.519 -13.723 1.00 0.00 C ATOM 890 OG SER A 63 -18.336 16.443 -13.019 1.00 0.00 O ATOM 891 OXT SER A 63 -21.049 16.319 -12.585 1.00 0.00 O ATOM 0 H SER A 63 -18.348 18.125 -11.220 1.00 0.00 H new ATOM 0 HA SER A 63 -20.345 19.130 -13.271 1.00 0.00 H new ATOM 0 HB2 SER A 63 -19.549 17.135 -14.544 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.178 18.158 -14.163 1.00 0.00 H new ATOM 0 HG SER A 63 -18.342 15.640 -13.581 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 11.741 -36.456 15.493 1.00 0.00 N ATOM 899 CA LEU B 8 11.726 -35.278 14.578 1.00 0.00 C ATOM 900 C LEU B 8 12.950 -34.396 14.831 1.00 0.00 C ATOM 901 O LEU B 8 13.108 -33.825 15.892 1.00 0.00 O ATOM 902 CB LEU B 8 10.441 -34.526 14.923 1.00 0.00 C ATOM 903 CG LEU B 8 9.271 -35.127 14.144 1.00 0.00 C ATOM 904 CD1 LEU B 8 8.768 -36.380 14.863 1.00 0.00 C ATOM 905 CD2 LEU B 8 8.138 -34.102 14.055 1.00 0.00 C ATOM 0 HA LEU B 8 11.758 -35.569 13.528 1.00 0.00 H new ATOM 0 HB2 LEU B 8 10.248 -34.588 15.994 1.00 0.00 H new ATOM 0 HB3 LEU B 8 10.549 -33.469 14.679 1.00 0.00 H new ATOM 0 HG LEU B 8 9.602 -35.393 13.140 1.00 0.00 H new ATOM 0 HD11 LEU B 8 7.934 -36.808 14.307 1.00 0.00 H new ATOM 0 HD12 LEU B 8 9.574 -37.111 14.928 1.00 0.00 H new ATOM 0 HD13 LEU B 8 8.437 -36.115 15.867 1.00 0.00 H new ATOM 0 HD21 LEU B 8 7.303 -34.530 13.500 1.00 0.00 H new ATOM 0 HD22 LEU B 8 7.808 -33.837 15.059 1.00 0.00 H new ATOM 0 HD23 LEU B 8 8.495 -33.209 13.543 1.00 0.00 H new ATOM 917 N GLU B 9 13.819 -34.278 13.863 1.00 0.00 N ATOM 918 CA GLU B 9 15.032 -33.433 14.049 1.00 0.00 C ATOM 919 C GLU B 9 15.611 -33.030 12.687 1.00 0.00 C ATOM 920 O GLU B 9 16.682 -33.471 12.318 1.00 0.00 O ATOM 921 CB GLU B 9 16.019 -34.318 14.811 1.00 0.00 C ATOM 922 CG GLU B 9 16.859 -33.454 15.754 1.00 0.00 C ATOM 923 CD GLU B 9 18.065 -34.255 16.245 1.00 0.00 C ATOM 924 OE1 GLU B 9 18.855 -34.669 15.412 1.00 0.00 O ATOM 925 OE2 GLU B 9 18.179 -34.442 17.445 1.00 0.00 O ATOM 0 H GLU B 9 13.741 -34.730 12.952 1.00 0.00 H new ATOM 0 HA GLU B 9 14.814 -32.510 14.587 1.00 0.00 H new ATOM 0 HB2 GLU B 9 15.480 -35.076 15.379 1.00 0.00 H new ATOM 0 HB3 GLU B 9 16.667 -34.845 14.110 1.00 0.00 H new ATOM 0 HG2 GLU B 9 17.193 -32.554 15.238 1.00 0.00 H new ATOM 0 HG3 GLU B 9 16.255 -33.130 16.602 1.00 0.00 H new ATOM 932 N PRO B 10 14.881 -32.204 11.978 1.00 0.00 N ATOM 933 CA PRO B 10 15.340 -31.745 10.643 1.00 0.00 C ATOM 934 C PRO B 10 16.493 -30.748 10.788 1.00 0.00 C ATOM 935 O PRO B 10 17.533 -30.899 10.179 1.00 0.00 O ATOM 936 CB PRO B 10 14.106 -31.067 10.052 1.00 0.00 C ATOM 937 CG PRO B 10 13.292 -30.646 11.233 1.00 0.00 C ATOM 938 CD PRO B 10 13.581 -31.624 12.342 1.00 0.00 C ATOM 0 HA PRO B 10 15.715 -32.555 10.018 1.00 0.00 H new ATOM 0 HB2 PRO B 10 14.383 -30.210 9.438 1.00 0.00 H new ATOM 0 HB3 PRO B 10 13.548 -31.751 9.412 1.00 0.00 H new ATOM 0 HG2 PRO B 10 13.550 -29.632 11.537 1.00 0.00 H new ATOM 0 HG3 PRO B 10 12.230 -30.644 10.988 1.00 0.00 H new ATOM 0 HD2 PRO B 10 13.624 -31.127 13.311 1.00 0.00 H new ATOM 0 HD3 PRO B 10 12.808 -32.389 12.410 1.00 0.00 H new ATOM 946 N ASP B 11 16.314 -29.733 11.593 1.00 0.00 N ATOM 947 CA ASP B 11 17.393 -28.714 11.788 1.00 0.00 C ATOM 948 C ASP B 11 17.726 -28.028 10.461 1.00 0.00 C ATOM 949 O ASP B 11 17.271 -26.936 10.185 1.00 0.00 O ATOM 950 CB ASP B 11 18.605 -29.490 12.315 1.00 0.00 C ATOM 951 CG ASP B 11 18.880 -29.082 13.764 1.00 0.00 C ATOM 952 OD1 ASP B 11 19.146 -27.914 13.990 1.00 0.00 O ATOM 953 OD2 ASP B 11 18.820 -29.946 14.623 1.00 0.00 O ATOM 0 H ASP B 11 15.462 -29.564 12.128 1.00 0.00 H new ATOM 0 HA ASP B 11 17.088 -27.930 12.481 1.00 0.00 H new ATOM 0 HB2 ASP B 11 18.417 -30.562 12.257 1.00 0.00 H new ATOM 0 HB3 ASP B 11 19.479 -29.285 11.696 1.00 0.00 H new ATOM 958 N ASN B 12 18.516 -28.658 9.637 1.00 0.00 N ATOM 959 CA ASN B 12 18.876 -28.041 8.329 1.00 0.00 C ATOM 960 C ASN B 12 19.339 -29.121 7.347 1.00 0.00 C ATOM 961 O ASN B 12 20.397 -29.027 6.756 1.00 0.00 O ATOM 962 CB ASN B 12 20.019 -27.075 8.650 1.00 0.00 C ATOM 963 CG ASN B 12 20.530 -26.430 7.358 1.00 0.00 C ATOM 964 OD1 ASN B 12 21.700 -26.126 7.241 1.00 0.00 O ATOM 965 ND2 ASN B 12 19.697 -26.207 6.378 1.00 0.00 N ATOM 0 H ASN B 12 18.928 -29.574 9.813 1.00 0.00 H new ATOM 0 HA ASN B 12 18.033 -27.531 7.863 1.00 0.00 H new ATOM 0 HB2 ASN B 12 19.674 -26.305 9.340 1.00 0.00 H new ATOM 0 HB3 ASN B 12 20.830 -27.608 9.147 1.00 0.00 H new ATOM 0 HD21 ASN B 12 20.029 -25.778 5.514 1.00 0.00 H new ATOM 0 HD22 ASN B 12 18.714 -26.462 6.476 1.00 0.00 H new ATOM 972 N VAL B 13 18.554 -30.148 7.167 1.00 0.00 N ATOM 973 CA VAL B 13 18.951 -31.232 6.224 1.00 0.00 C ATOM 974 C VAL B 13 18.469 -30.898 4.796 1.00 0.00 C ATOM 975 O VAL B 13 19.236 -30.991 3.859 1.00 0.00 O ATOM 976 CB VAL B 13 18.294 -32.507 6.797 1.00 0.00 C ATOM 977 CG1 VAL B 13 17.966 -33.517 5.688 1.00 0.00 C ATOM 978 CG2 VAL B 13 19.262 -33.160 7.787 1.00 0.00 C ATOM 0 H VAL B 13 17.656 -30.283 7.631 1.00 0.00 H new ATOM 0 HA VAL B 13 20.030 -31.359 6.140 1.00 0.00 H new ATOM 0 HB VAL B 13 17.364 -32.222 7.289 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.505 -34.402 6.127 1.00 0.00 H new ATOM 0 HG12 VAL B 13 17.277 -33.064 4.976 1.00 0.00 H new ATOM 0 HG13 VAL B 13 18.883 -33.803 5.173 1.00 0.00 H new ATOM 0 HG21 VAL B 13 18.808 -34.062 8.198 1.00 0.00 H new ATOM 0 HG22 VAL B 13 20.187 -33.421 7.273 1.00 0.00 H new ATOM 0 HG23 VAL B 13 19.481 -32.463 8.596 1.00 0.00 H new ATOM 988 N PRO B 14 17.219 -30.519 4.669 1.00 0.00 N ATOM 989 CA PRO B 14 16.674 -30.176 3.340 1.00 0.00 C ATOM 990 C PRO B 14 17.040 -28.736 2.971 1.00 0.00 C ATOM 991 O PRO B 14 17.857 -28.498 2.103 1.00 0.00 O ATOM 992 CB PRO B 14 15.168 -30.336 3.520 1.00 0.00 C ATOM 993 CG PRO B 14 14.911 -30.152 4.986 1.00 0.00 C ATOM 994 CD PRO B 14 16.211 -30.373 5.725 1.00 0.00 C ATOM 0 HA PRO B 14 17.066 -30.800 2.537 1.00 0.00 H new ATOM 0 HB2 PRO B 14 14.623 -29.598 2.932 1.00 0.00 H new ATOM 0 HB3 PRO B 14 14.836 -31.319 3.185 1.00 0.00 H new ATOM 0 HG2 PRO B 14 14.528 -29.151 5.182 1.00 0.00 H new ATOM 0 HG3 PRO B 14 14.154 -30.856 5.330 1.00 0.00 H new ATOM 0 HD2 PRO B 14 16.442 -29.533 6.380 1.00 0.00 H new ATOM 0 HD3 PRO B 14 16.163 -31.263 6.353 1.00 0.00 H new ATOM 1002 N MET B 15 16.448 -27.774 3.626 1.00 0.00 N ATOM 1003 CA MET B 15 16.768 -26.351 3.317 1.00 0.00 C ATOM 1004 C MET B 15 15.998 -25.421 4.258 1.00 0.00 C ATOM 1005 O MET B 15 14.853 -25.090 4.017 1.00 0.00 O ATOM 1006 CB MET B 15 16.319 -26.140 1.869 1.00 0.00 C ATOM 1007 CG MET B 15 17.381 -25.335 1.118 1.00 0.00 C ATOM 1008 SD MET B 15 17.513 -25.949 -0.580 1.00 0.00 S ATOM 1009 CE MET B 15 18.969 -24.986 -1.057 1.00 0.00 C ATOM 0 H MET B 15 15.756 -27.912 4.362 1.00 0.00 H new ATOM 0 HA MET B 15 17.828 -26.132 3.447 1.00 0.00 H new ATOM 0 HB2 MET B 15 16.164 -27.102 1.381 1.00 0.00 H new ATOM 0 HB3 MET B 15 15.365 -25.614 1.846 1.00 0.00 H new ATOM 0 HG2 MET B 15 17.116 -24.278 1.114 1.00 0.00 H new ATOM 0 HG3 MET B 15 18.343 -25.421 1.623 1.00 0.00 H new ATOM 0 HE1 MET B 15 19.233 -25.213 -2.090 1.00 0.00 H new ATOM 0 HE2 MET B 15 18.748 -23.923 -0.964 1.00 0.00 H new ATOM 0 HE3 MET B 15 19.804 -25.242 -0.405 1.00 0.00 H new ATOM 1019 N ASP B 16 16.614 -24.998 5.327 1.00 0.00 N ATOM 1020 CA ASP B 16 15.913 -24.090 6.280 1.00 0.00 C ATOM 1021 C ASP B 16 16.930 -23.258 7.065 1.00 0.00 C ATOM 1022 O ASP B 16 16.989 -23.313 8.278 1.00 0.00 O ATOM 1023 CB ASP B 16 15.140 -25.020 7.217 1.00 0.00 C ATOM 1024 CG ASP B 16 13.678 -24.577 7.283 1.00 0.00 C ATOM 1025 OD1 ASP B 16 13.130 -24.252 6.243 1.00 0.00 O ATOM 1026 OD2 ASP B 16 13.129 -24.571 8.374 1.00 0.00 O ATOM 0 H ASP B 16 17.571 -25.241 5.582 1.00 0.00 H new ATOM 0 HA ASP B 16 15.255 -23.386 5.771 1.00 0.00 H new ATOM 0 HB2 ASP B 16 15.204 -26.048 6.860 1.00 0.00 H new ATOM 0 HB3 ASP B 16 15.582 -25.000 8.213 1.00 0.00 H new ATOM 1031 N MET B 17 17.732 -22.486 6.384 1.00 0.00 N ATOM 1032 CA MET B 17 18.744 -21.651 7.093 1.00 0.00 C ATOM 1033 C MET B 17 18.060 -20.775 8.147 1.00 0.00 C ATOM 1034 O MET B 17 18.589 -20.550 9.218 1.00 0.00 O ATOM 1035 CB MET B 17 19.376 -20.785 6.004 1.00 0.00 C ATOM 1036 CG MET B 17 18.294 -19.939 5.330 1.00 0.00 C ATOM 1037 SD MET B 17 18.866 -19.419 3.694 1.00 0.00 S ATOM 1038 CE MET B 17 20.160 -18.286 4.256 1.00 0.00 C ATOM 0 H MET B 17 17.731 -22.397 5.368 1.00 0.00 H new ATOM 0 HA MET B 17 19.487 -22.255 7.615 1.00 0.00 H new ATOM 0 HB2 MET B 17 20.140 -20.139 6.436 1.00 0.00 H new ATOM 0 HB3 MET B 17 19.872 -21.415 5.266 1.00 0.00 H new ATOM 0 HG2 MET B 17 17.372 -20.514 5.239 1.00 0.00 H new ATOM 0 HG3 MET B 17 18.066 -19.066 5.942 1.00 0.00 H new ATOM 0 HE1 MET B 17 20.496 -17.674 3.419 1.00 0.00 H new ATOM 0 HE2 MET B 17 19.764 -17.642 5.041 1.00 0.00 H new ATOM 0 HE3 MET B 17 21.001 -18.859 4.647 1.00 0.00 H new ATOM 1048 N SER B 18 16.889 -20.281 7.852 1.00 0.00 N ATOM 1049 CA SER B 18 16.173 -19.421 8.839 1.00 0.00 C ATOM 1050 C SER B 18 15.659 -20.272 10.008 1.00 0.00 C ATOM 1051 O SER B 18 15.684 -21.485 9.943 1.00 0.00 O ATOM 1052 CB SER B 18 15.005 -18.817 8.060 1.00 0.00 C ATOM 1053 OG SER B 18 15.472 -18.349 6.802 1.00 0.00 O ATOM 0 H SER B 18 16.397 -20.435 6.972 1.00 0.00 H new ATOM 0 HA SER B 18 16.819 -18.654 9.266 1.00 0.00 H new ATOM 0 HB2 SER B 18 14.224 -19.564 7.916 1.00 0.00 H new ATOM 0 HB3 SER B 18 14.562 -17.997 8.625 1.00 0.00 H new ATOM 0 HG SER B 18 15.964 -17.511 6.927 1.00 0.00 H new ATOM 1059 N PRO B 19 15.209 -19.608 11.045 1.00 0.00 N ATOM 1060 CA PRO B 19 14.689 -20.316 12.235 1.00 0.00 C ATOM 1061 C PRO B 19 13.204 -20.676 12.077 1.00 0.00 C ATOM 1062 O PRO B 19 12.521 -20.941 13.045 1.00 0.00 O ATOM 1063 CB PRO B 19 14.893 -19.306 13.357 1.00 0.00 C ATOM 1064 CG PRO B 19 14.914 -17.958 12.697 1.00 0.00 C ATOM 1065 CD PRO B 19 15.149 -18.153 11.216 1.00 0.00 C ATOM 0 HA PRO B 19 15.193 -21.266 12.414 1.00 0.00 H new ATOM 0 HB2 PRO B 19 14.089 -19.369 14.091 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.826 -19.495 13.889 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.971 -17.439 12.866 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.701 -17.338 13.127 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.344 -17.716 10.625 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.075 -17.677 10.894 1.00 0.00 H new ATOM 1073 N LYS B 20 12.709 -20.709 10.865 1.00 0.00 N ATOM 1074 CA LYS B 20 11.272 -21.072 10.625 1.00 0.00 C ATOM 1075 C LYS B 20 10.317 -20.048 11.253 1.00 0.00 C ATOM 1076 O LYS B 20 9.621 -19.335 10.556 1.00 0.00 O ATOM 1077 CB LYS B 20 11.082 -22.451 11.270 1.00 0.00 C ATOM 1078 CG LYS B 20 9.807 -23.097 10.725 1.00 0.00 C ATOM 1079 CD LYS B 20 8.588 -22.497 11.430 1.00 0.00 C ATOM 1080 CE LYS B 20 7.679 -23.624 11.927 1.00 0.00 C ATOM 1081 NZ LYS B 20 6.306 -23.048 11.904 1.00 0.00 N ATOM 0 H LYS B 20 13.242 -20.498 10.021 1.00 0.00 H new ATOM 0 HA LYS B 20 11.045 -21.083 9.559 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.943 -23.085 11.058 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.018 -22.352 12.354 1.00 0.00 H new ATOM 0 HG2 LYS B 20 9.735 -22.934 9.650 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.837 -24.175 10.882 1.00 0.00 H new ATOM 0 HD2 LYS B 20 8.908 -21.877 12.268 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.041 -21.849 10.745 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.750 -24.501 11.284 1.00 0.00 H new ATOM 0 HE3 LYS B 20 7.957 -23.942 12.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.625 -23.762 12.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.267 -22.219 12.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.066 -22.761 10.934 1.00 0.00 H new ATOM 1095 N ALA B 21 10.264 -19.977 12.558 1.00 0.00 N ATOM 1096 CA ALA B 21 9.340 -19.008 13.229 1.00 0.00 C ATOM 1097 C ALA B 21 9.436 -17.622 12.581 1.00 0.00 C ATOM 1098 O ALA B 21 8.439 -17.002 12.267 1.00 0.00 O ATOM 1099 CB ALA B 21 9.817 -18.951 14.681 1.00 0.00 C ATOM 0 H ALA B 21 10.822 -20.549 13.192 1.00 0.00 H new ATOM 0 HA ALA B 21 8.298 -19.317 13.146 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.189 -18.260 15.243 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.751 -19.944 15.125 1.00 0.00 H new ATOM 0 HB3 ALA B 21 10.851 -18.608 14.711 1.00 0.00 H new ATOM 1105 N LEU B 22 10.627 -17.136 12.375 1.00 0.00 N ATOM 1106 CA LEU B 22 10.787 -15.796 11.741 1.00 0.00 C ATOM 1107 C LEU B 22 10.632 -15.929 10.229 1.00 0.00 C ATOM 1108 O LEU B 22 10.008 -15.114 9.578 1.00 0.00 O ATOM 1109 CB LEU B 22 12.208 -15.356 12.092 1.00 0.00 C ATOM 1110 CG LEU B 22 12.256 -14.889 13.546 1.00 0.00 C ATOM 1111 CD1 LEU B 22 12.089 -16.093 14.472 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.603 -14.217 13.821 1.00 0.00 C ATOM 0 H LEU B 22 11.498 -17.608 12.618 1.00 0.00 H new ATOM 0 HA LEU B 22 10.045 -15.077 12.087 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.903 -16.182 11.942 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.524 -14.550 11.430 1.00 0.00 H new ATOM 0 HG LEU B 22 11.451 -14.177 13.727 1.00 0.00 H new ATOM 0 HD11 LEU B 22 12.123 -15.761 15.510 1.00 0.00 H new ATOM 0 HD12 LEU B 22 11.130 -16.573 14.276 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.895 -16.805 14.292 1.00 0.00 H new ATOM 0 HD21 LEU B 22 13.638 -13.883 14.858 1.00 0.00 H new ATOM 0 HD22 LEU B 22 14.408 -14.929 13.641 1.00 0.00 H new ATOM 0 HD23 LEU B 22 13.723 -13.359 13.160 1.00 0.00 H new ATOM 1124 N GLN B 23 11.202 -16.957 9.671 1.00 0.00 N ATOM 1125 CA GLN B 23 11.101 -17.165 8.197 1.00 0.00 C ATOM 1126 C GLN B 23 9.638 -17.093 7.745 1.00 0.00 C ATOM 1127 O GLN B 23 9.294 -16.365 6.836 1.00 0.00 O ATOM 1128 CB GLN B 23 11.667 -18.564 7.955 1.00 0.00 C ATOM 1129 CG GLN B 23 11.874 -18.780 6.455 1.00 0.00 C ATOM 1130 CD GLN B 23 12.056 -20.272 6.174 1.00 0.00 C ATOM 1131 OE1 GLN B 23 11.684 -21.104 6.979 1.00 0.00 O ATOM 1132 NE2 GLN B 23 12.615 -20.651 5.057 1.00 0.00 N ATOM 0 H GLN B 23 11.736 -17.667 10.172 1.00 0.00 H new ATOM 0 HA GLN B 23 11.642 -16.402 7.637 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.613 -18.681 8.484 1.00 0.00 H new ATOM 0 HB3 GLN B 23 10.985 -19.317 8.351 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.018 -18.397 5.900 1.00 0.00 H new ATOM 0 HG3 GLN B 23 12.749 -18.226 6.114 1.00 0.00 H new ATOM 0 HE21 GLN B 23 12.927 -19.954 4.381 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.739 -21.644 4.860 1.00 0.00 H new ATOM 1141 N GLN B 24 8.778 -17.847 8.373 1.00 0.00 N ATOM 1142 CA GLN B 24 7.339 -17.824 7.979 1.00 0.00 C ATOM 1143 C GLN B 24 6.723 -16.456 8.288 1.00 0.00 C ATOM 1144 O GLN B 24 6.136 -15.822 7.434 1.00 0.00 O ATOM 1145 CB GLN B 24 6.679 -18.912 8.826 1.00 0.00 C ATOM 1146 CG GLN B 24 5.172 -18.919 8.568 1.00 0.00 C ATOM 1147 CD GLN B 24 4.905 -19.311 7.113 1.00 0.00 C ATOM 1148 OE1 GLN B 24 5.628 -20.103 6.543 1.00 0.00 O ATOM 1149 NE2 GLN B 24 3.889 -18.785 6.485 1.00 0.00 N ATOM 0 H GLN B 24 9.008 -18.478 9.141 1.00 0.00 H new ATOM 0 HA GLN B 24 7.202 -17.998 6.912 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.105 -19.885 8.582 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.876 -18.734 9.883 1.00 0.00 H new ATOM 0 HG2 GLN B 24 4.680 -19.621 9.241 1.00 0.00 H new ATOM 0 HG3 GLN B 24 4.753 -17.934 8.773 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.282 -18.120 6.964 1.00 0.00 H new ATOM 0 HE22 GLN B 24 3.702 -19.039 5.515 1.00 0.00 H new ATOM 1158 N LYS B 25 6.852 -15.997 9.503 1.00 0.00 N ATOM 1159 CA LYS B 25 6.271 -14.672 9.866 1.00 0.00 C ATOM 1160 C LYS B 25 6.751 -13.595 8.889 1.00 0.00 C ATOM 1161 O LYS B 25 6.003 -12.725 8.491 1.00 0.00 O ATOM 1162 CB LYS B 25 6.788 -14.386 11.276 1.00 0.00 C ATOM 1163 CG LYS B 25 5.642 -14.529 12.280 1.00 0.00 C ATOM 1164 CD LYS B 25 5.586 -15.971 12.789 1.00 0.00 C ATOM 1165 CE LYS B 25 4.127 -16.416 12.904 1.00 0.00 C ATOM 1166 NZ LYS B 25 4.160 -17.618 13.782 1.00 0.00 N ATOM 0 H LYS B 25 7.334 -16.482 10.260 1.00 0.00 H new ATOM 0 HA LYS B 25 5.182 -14.674 9.823 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.593 -15.077 11.526 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.205 -13.380 11.325 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.788 -13.843 13.114 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.696 -14.261 11.809 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.125 -16.629 12.108 1.00 0.00 H new ATOM 0 HD3 LYS B 25 6.077 -16.045 13.759 1.00 0.00 H new ATOM 0 HE2 LYS B 25 3.507 -15.630 13.334 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.708 -16.653 11.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 3.194 -17.982 13.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 4.752 -18.352 13.343 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 4.557 -17.361 14.708 1.00 0.00 H new ATOM 1180 N ILE B 26 7.996 -13.646 8.499 1.00 0.00 N ATOM 1181 CA ILE B 26 8.522 -12.625 7.549 1.00 0.00 C ATOM 1182 C ILE B 26 8.010 -12.903 6.133 1.00 0.00 C ATOM 1183 O ILE B 26 7.427 -12.049 5.494 1.00 0.00 O ATOM 1184 CB ILE B 26 10.042 -12.773 7.610 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.532 -12.419 9.015 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.690 -11.832 6.593 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.992 -12.849 9.171 1.00 0.00 C ATOM 0 H ILE B 26 8.671 -14.350 8.797 1.00 0.00 H new ATOM 0 HA ILE B 26 8.200 -11.616 7.808 1.00 0.00 H new ATOM 0 HB ILE B 26 10.315 -13.802 7.377 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.438 -11.346 9.185 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.914 -12.916 9.763 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.774 -11.939 6.638 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.342 -12.083 5.591 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.417 -10.802 6.824 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.341 -12.596 10.172 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.072 -13.925 9.019 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.605 -12.332 8.432 1.00 0.00 H new ATOM 1199 N HIS B 27 8.224 -14.091 5.637 1.00 0.00 N ATOM 1200 CA HIS B 27 7.749 -14.420 4.261 1.00 0.00 C ATOM 1201 C HIS B 27 6.222 -14.337 4.193 1.00 0.00 C ATOM 1202 O HIS B 27 5.653 -14.042 3.161 1.00 0.00 O ATOM 1203 CB HIS B 27 8.220 -15.854 4.015 1.00 0.00 C ATOM 1204 CG HIS B 27 8.333 -16.097 2.534 1.00 0.00 C ATOM 1205 ND1 HIS B 27 8.837 -17.278 2.015 1.00 0.00 N ATOM 1206 CD2 HIS B 27 8.012 -15.317 1.450 1.00 0.00 C ATOM 1207 CE1 HIS B 27 8.805 -17.177 0.674 1.00 0.00 C ATOM 1208 NE2 HIS B 27 8.310 -16.002 0.277 1.00 0.00 N ATOM 0 H HIS B 27 8.706 -14.847 6.123 1.00 0.00 H new ATOM 0 HA HIS B 27 8.136 -13.728 3.513 1.00 0.00 H new ATOM 0 HB2 HIS B 27 9.184 -16.019 4.496 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.517 -16.560 4.458 1.00 0.00 H new ATOM 0 HD2 HIS B 27 7.592 -14.323 1.501 1.00 0.00 H new ATOM 0 HE1 HIS B 27 9.139 -17.952 0.000 1.00 0.00 H new ATOM 0 HE2 HIS B 27 8.179 -15.677 -0.681 1.00 0.00 H new ATOM 1216 N GLU B 28 5.554 -14.594 5.284 1.00 0.00 N ATOM 1217 CA GLU B 28 4.064 -14.530 5.278 1.00 0.00 C ATOM 1218 C GLU B 28 3.596 -13.073 5.341 1.00 0.00 C ATOM 1219 O GLU B 28 2.751 -12.649 4.578 1.00 0.00 O ATOM 1220 CB GLU B 28 3.630 -15.287 6.534 1.00 0.00 C ATOM 1221 CG GLU B 28 2.106 -15.241 6.657 1.00 0.00 C ATOM 1222 CD GLU B 28 1.477 -16.009 5.494 1.00 0.00 C ATOM 1223 OE1 GLU B 28 1.737 -17.196 5.384 1.00 0.00 O ATOM 1224 OE2 GLU B 28 0.745 -15.397 4.732 1.00 0.00 O ATOM 0 H GLU B 28 5.974 -14.845 6.179 1.00 0.00 H new ATOM 0 HA GLU B 28 3.636 -14.962 4.373 1.00 0.00 H new ATOM 0 HB2 GLU B 28 3.970 -16.321 6.484 1.00 0.00 H new ATOM 0 HB3 GLU B 28 4.090 -14.843 7.416 1.00 0.00 H new ATOM 0 HG2 GLU B 28 1.794 -15.677 7.606 1.00 0.00 H new ATOM 0 HG3 GLU B 28 1.761 -14.207 6.653 1.00 0.00 H new ATOM 1231 N LEU B 29 4.139 -12.304 6.244 1.00 0.00 N ATOM 1232 CA LEU B 29 3.725 -10.875 6.354 1.00 0.00 C ATOM 1233 C LEU B 29 4.094 -10.116 5.078 1.00 0.00 C ATOM 1234 O LEU B 29 3.329 -9.316 4.577 1.00 0.00 O ATOM 1235 CB LEU B 29 4.506 -10.328 7.549 1.00 0.00 C ATOM 1236 CG LEU B 29 3.790 -10.708 8.846 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.696 -10.404 10.039 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.497 -9.898 8.969 1.00 0.00 C ATOM 0 H LEU B 29 4.851 -12.602 6.911 1.00 0.00 H new ATOM 0 HA LEU B 29 2.648 -10.766 6.486 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.519 -10.730 7.549 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.594 -9.244 7.474 1.00 0.00 H new ATOM 0 HG LEU B 29 3.554 -11.772 8.832 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.185 -10.675 10.963 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.618 -10.980 9.952 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.933 -9.340 10.054 1.00 0.00 H new ATOM 0 HD21 LEU B 29 1.985 -10.168 9.893 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.734 -8.834 8.983 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.850 -10.115 8.119 1.00 0.00 H new ATOM 1250 N GLU B 30 5.262 -10.358 4.548 1.00 0.00 N ATOM 1251 CA GLU B 30 5.679 -9.647 3.305 1.00 0.00 C ATOM 1252 C GLU B 30 4.640 -9.856 2.201 1.00 0.00 C ATOM 1253 O GLU B 30 4.212 -8.921 1.553 1.00 0.00 O ATOM 1254 CB GLU B 30 7.013 -10.283 2.914 1.00 0.00 C ATOM 1255 CG GLU B 30 7.805 -9.312 2.036 1.00 0.00 C ATOM 1256 CD GLU B 30 8.353 -10.059 0.817 1.00 0.00 C ATOM 1257 OE1 GLU B 30 7.680 -10.963 0.350 1.00 0.00 O ATOM 1258 OE2 GLU B 30 9.435 -9.713 0.372 1.00 0.00 O ATOM 0 H GLU B 30 5.945 -11.017 4.921 1.00 0.00 H new ATOM 0 HA GLU B 30 5.769 -8.571 3.455 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.585 -10.531 3.808 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.840 -11.216 2.378 1.00 0.00 H new ATOM 0 HG2 GLU B 30 7.165 -8.490 1.715 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.624 -8.874 2.606 1.00 0.00 H new ATOM 1265 N GLY B 31 4.228 -11.075 1.981 1.00 0.00 N ATOM 1266 CA GLY B 31 3.217 -11.341 0.919 1.00 0.00 C ATOM 1267 C GLY B 31 1.874 -10.737 1.330 1.00 0.00 C ATOM 1268 O GLY B 31 1.050 -10.407 0.500 1.00 0.00 O ATOM 0 H GLY B 31 4.548 -11.898 2.491 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.546 -10.912 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY B 31 3.112 -12.415 0.763 1.00 0.00 H new ATOM 1272 N LEU B 32 1.645 -10.588 2.606 1.00 0.00 N ATOM 1273 CA LEU B 32 0.353 -10.006 3.070 1.00 0.00 C ATOM 1274 C LEU B 32 0.294 -8.513 2.733 1.00 0.00 C ATOM 1275 O LEU B 32 -0.766 -7.951 2.543 1.00 0.00 O ATOM 1276 CB LEU B 32 0.348 -10.213 4.585 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.095 -10.288 5.086 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -1.626 -11.711 4.906 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.139 -9.911 6.569 1.00 0.00 C ATOM 0 H LEU B 32 2.297 -10.844 3.348 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.507 -10.474 2.591 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.880 -11.130 4.839 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.872 -9.393 5.076 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.714 -9.596 4.515 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.654 -11.764 5.263 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.594 -11.980 3.850 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.008 -12.405 5.476 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.167 -9.964 6.928 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.520 -10.604 7.139 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.762 -8.897 6.698 1.00 0.00 H new ATOM 1291 N MET B 33 1.426 -7.867 2.660 1.00 0.00 N ATOM 1292 CA MET B 33 1.433 -6.411 2.336 1.00 0.00 C ATOM 1293 C MET B 33 0.769 -6.164 0.979 1.00 0.00 C ATOM 1294 O MET B 33 -0.228 -5.476 0.881 1.00 0.00 O ATOM 1295 CB MET B 33 2.912 -6.023 2.290 1.00 0.00 C ATOM 1296 CG MET B 33 3.341 -5.486 3.656 1.00 0.00 C ATOM 1297 SD MET B 33 5.029 -6.031 4.015 1.00 0.00 S ATOM 1298 CE MET B 33 5.887 -4.682 3.167 1.00 0.00 C ATOM 0 H MET B 33 2.345 -8.283 2.810 1.00 0.00 H new ATOM 0 HA MET B 33 0.880 -5.823 3.068 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.518 -6.888 2.021 1.00 0.00 H new ATOM 0 HB3 MET B 33 3.077 -5.267 1.522 1.00 0.00 H new ATOM 0 HG2 MET B 33 3.290 -4.397 3.663 1.00 0.00 H new ATOM 0 HG3 MET B 33 2.660 -5.842 4.429 1.00 0.00 H new ATOM 0 HE1 MET B 33 6.956 -4.892 3.139 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.508 -4.593 2.149 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.714 -3.748 3.702 1.00 0.00 H new ATOM 1308 N MET B 34 1.314 -6.718 -0.071 1.00 0.00 N ATOM 1309 CA MET B 34 0.712 -6.512 -1.419 1.00 0.00 C ATOM 1310 C MET B 34 -0.774 -6.884 -1.397 1.00 0.00 C ATOM 1311 O MET B 34 -1.599 -6.221 -1.993 1.00 0.00 O ATOM 1312 CB MET B 34 1.487 -7.449 -2.347 1.00 0.00 C ATOM 1313 CG MET B 34 1.264 -7.030 -3.803 1.00 0.00 C ATOM 1314 SD MET B 34 1.982 -5.392 -4.080 1.00 0.00 S ATOM 1315 CE MET B 34 3.666 -5.787 -3.548 1.00 0.00 C ATOM 0 H MET B 34 2.149 -7.303 -0.053 1.00 0.00 H new ATOM 0 HA MET B 34 0.774 -5.474 -1.745 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.550 -7.417 -2.108 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.158 -8.478 -2.199 1.00 0.00 H new ATOM 0 HG2 MET B 34 1.720 -7.757 -4.475 1.00 0.00 H new ATOM 0 HG3 MET B 34 0.198 -7.014 -4.028 1.00 0.00 H new ATOM 0 HE1 MET B 34 4.377 -5.189 -4.118 1.00 0.00 H new ATOM 0 HE2 MET B 34 3.774 -5.565 -2.486 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.863 -6.845 -3.719 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.119 -7.939 -0.711 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.551 -8.353 -0.646 1.00 0.00 C ATOM 1327 C GLN B 35 -3.419 -7.175 -0.193 1.00 0.00 C ATOM 1328 O GLN B 35 -4.134 -6.579 -0.974 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.586 -9.480 0.389 1.00 0.00 C ATOM 1330 CG GLN B 35 -4.034 -9.906 0.645 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.286 -11.269 -0.003 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -5.026 -11.370 -0.960 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -3.697 -12.327 0.483 1.00 0.00 N ATOM 0 H GLN B 35 -0.472 -8.533 -0.192 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.937 -8.676 -1.613 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -2.005 -10.331 0.033 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.126 -9.146 1.319 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -4.224 -9.960 1.717 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.720 -9.164 0.236 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -3.075 -12.241 1.287 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -3.858 -13.240 0.059 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.361 -6.835 1.064 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.180 -5.698 1.570 1.00 0.00 C ATOM 1344 C HIS B 36 -3.941 -4.446 0.713 1.00 0.00 C ATOM 1345 O HIS B 36 -4.871 -3.778 0.305 1.00 0.00 O ATOM 1346 CB HIS B 36 -3.699 -5.486 3.005 1.00 0.00 C ATOM 1347 CG HIS B 36 -4.092 -6.671 3.846 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.045 -7.591 3.431 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -3.667 -7.102 5.078 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -5.160 -8.519 4.399 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -4.343 -8.269 5.426 1.00 0.00 N ATOM 0 H HIS B 36 -2.781 -7.296 1.765 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.251 -5.898 1.527 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -2.617 -5.357 3.022 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.135 -4.575 3.415 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -2.921 -6.611 5.685 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -5.831 -9.364 4.351 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -4.237 -8.815 6.281 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.705 -4.133 0.422 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.417 -2.937 -0.425 1.00 0.00 C ATOM 1361 C ALA B 37 -3.197 -3.050 -1.738 1.00 0.00 C ATOM 1362 O ALA B 37 -3.799 -2.102 -2.200 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.911 -2.994 -0.689 1.00 0.00 C ATOM 0 H ALA B 37 -1.884 -4.652 0.733 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.707 -2.000 0.051 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.618 -2.146 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.374 -2.955 0.259 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.667 -3.922 -1.206 1.00 0.00 H new ATOM 1369 N GLN B 38 -3.201 -4.216 -2.334 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.956 -4.401 -3.606 1.00 0.00 C ATOM 1371 C GLN B 38 -5.431 -4.087 -3.362 1.00 0.00 C ATOM 1372 O GLN B 38 -6.124 -3.582 -4.224 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.767 -5.873 -3.977 1.00 0.00 C ATOM 1374 CG GLN B 38 -2.564 -6.014 -4.912 1.00 0.00 C ATOM 1375 CD GLN B 38 -2.932 -6.924 -6.085 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -3.223 -8.088 -5.898 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -2.930 -6.438 -7.297 1.00 0.00 N ATOM 0 H GLN B 38 -2.714 -5.045 -1.994 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.608 -3.745 -4.404 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.613 -6.469 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.665 -6.255 -4.463 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.259 -5.034 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.715 -6.429 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -2.686 -5.460 -7.454 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -3.173 -7.036 -8.087 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.907 -4.359 -2.176 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.329 -4.052 -1.851 1.00 0.00 C ATOM 1388 C ASN B 39 -7.430 -2.628 -1.286 1.00 0.00 C ATOM 1389 O ASN B 39 -8.426 -2.249 -0.702 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.727 -5.081 -0.792 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.813 -6.467 -1.433 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -7.299 -6.683 -2.513 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -8.447 -7.424 -0.810 1.00 0.00 N ATOM 0 H ASN B 39 -5.371 -4.781 -1.418 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.980 -4.102 -2.724 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.996 -5.088 0.017 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.687 -4.812 -0.352 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.510 -8.351 -1.230 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.879 -7.244 0.096 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.398 -1.840 -1.462 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.405 -0.442 -0.952 1.00 0.00 C ATOM 1402 C LEU B 40 -6.670 -0.402 0.554 1.00 0.00 C ATOM 1403 O LEU B 40 -7.040 0.618 1.098 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.517 0.269 -1.726 1.00 0.00 C ATOM 1405 CG LEU B 40 -7.036 0.564 -3.148 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -7.209 -0.683 -4.016 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.860 1.711 -3.736 1.00 0.00 C ATOM 0 H LEU B 40 -5.542 -2.114 -1.944 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.439 0.042 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.411 -0.354 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.790 1.196 -1.223 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.983 0.846 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.866 -0.472 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.623 -1.502 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.261 -0.966 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.518 1.922 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.912 1.428 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.737 2.601 -3.119 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.450 -1.489 1.238 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.659 -1.481 2.713 1.00 0.00 C ATOM 1421 C GLU B 41 -5.633 -0.532 3.333 1.00 0.00 C ATOM 1422 O GLU B 41 -5.970 0.373 4.067 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.412 -2.921 3.163 1.00 0.00 C ATOM 1424 CG GLU B 41 -7.443 -3.845 2.510 1.00 0.00 C ATOM 1425 CD GLU B 41 -8.347 -4.446 3.589 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -7.993 -5.487 4.117 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -9.377 -3.855 3.867 1.00 0.00 O ATOM 0 H GLU B 41 -6.137 -2.376 0.844 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.653 -1.147 3.010 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -5.404 -3.231 2.888 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.482 -2.991 4.249 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.041 -3.288 1.789 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -6.938 -4.639 1.960 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.384 -0.731 2.995 1.00 0.00 N ATOM 1435 CA PHE B 42 -3.276 0.144 3.494 1.00 0.00 C ATOM 1436 C PHE B 42 -3.133 0.110 5.015 1.00 0.00 C ATOM 1437 O PHE B 42 -2.078 -0.208 5.523 1.00 0.00 O ATOM 1438 CB PHE B 42 -3.617 1.556 3.009 1.00 0.00 C ATOM 1439 CG PHE B 42 -2.985 1.794 1.660 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -1.624 1.477 1.454 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -3.751 2.339 0.605 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -1.029 1.704 0.193 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.155 2.566 -0.655 1.00 0.00 C ATOM 1444 CZ PHE B 42 -1.794 2.249 -0.860 1.00 0.00 C ATOM 0 H PHE B 42 -4.077 -1.483 2.378 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.316 -0.204 3.112 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -4.698 1.677 2.942 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.257 2.294 3.726 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.038 1.061 2.260 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -4.792 2.582 0.762 1.00 0.00 H new ATOM 0 HE1 PHE B 42 0.011 1.460 0.035 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.740 2.982 -1.462 1.00 0.00 H new ATOM 0 HZ PHE B 42 -1.338 2.424 -1.823 1.00 0.00 H new ATOM 1454 N GLU B 43 -4.159 0.438 5.755 1.00 0.00 N ATOM 1455 CA GLU B 43 -4.037 0.415 7.244 1.00 0.00 C ATOM 1456 C GLU B 43 -3.394 -0.903 7.684 1.00 0.00 C ATOM 1457 O GLU B 43 -2.342 -0.925 8.292 1.00 0.00 O ATOM 1458 CB GLU B 43 -5.474 0.517 7.761 1.00 0.00 C ATOM 1459 CG GLU B 43 -5.489 0.328 9.279 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.923 0.073 9.749 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -7.363 -1.061 9.656 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -7.556 1.017 10.193 1.00 0.00 O ATOM 0 H GLU B 43 -5.072 0.719 5.396 1.00 0.00 H new ATOM 0 HA GLU B 43 -3.414 1.223 7.629 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.896 1.488 7.501 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.097 -0.240 7.284 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.850 -0.509 9.558 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -5.086 1.214 9.770 1.00 0.00 H new ATOM 1469 N GLU B 44 -4.016 -1.995 7.359 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.446 -3.317 7.728 1.00 0.00 C ATOM 1471 C GLU B 44 -2.363 -3.731 6.721 1.00 0.00 C ATOM 1472 O GLU B 44 -1.547 -4.587 6.995 1.00 0.00 O ATOM 1473 CB GLU B 44 -4.631 -4.290 7.685 1.00 0.00 C ATOM 1474 CG GLU B 44 -5.142 -4.434 6.247 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.343 -5.381 6.227 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -7.433 -4.930 6.538 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -6.152 -6.541 5.902 1.00 0.00 O ATOM 0 H GLU B 44 -4.900 -2.031 6.851 1.00 0.00 H new ATOM 0 HA GLU B 44 -2.971 -3.302 8.709 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -4.327 -5.263 8.070 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -5.432 -3.928 8.329 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.427 -3.459 5.851 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -4.350 -4.820 5.605 1.00 0.00 H new ATOM 1484 N ALA B 45 -2.358 -3.142 5.551 1.00 0.00 N ATOM 1485 CA ALA B 45 -1.339 -3.524 4.530 1.00 0.00 C ATOM 1486 C ALA B 45 -0.005 -2.814 4.761 1.00 0.00 C ATOM 1487 O ALA B 45 1.042 -3.430 4.769 1.00 0.00 O ATOM 1488 CB ALA B 45 -1.938 -3.081 3.197 1.00 0.00 C ATOM 0 H ALA B 45 -3.013 -2.416 5.261 1.00 0.00 H new ATOM 0 HA ALA B 45 -1.125 -4.592 4.570 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.249 -3.326 2.389 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -2.885 -3.596 3.035 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.108 -2.005 3.214 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.028 -1.523 4.910 1.00 0.00 N ATOM 1495 CA ALA B 46 1.249 -0.778 5.095 1.00 0.00 C ATOM 1496 C ALA B 46 1.746 -0.864 6.540 1.00 0.00 C ATOM 1497 O ALA B 46 2.914 -0.656 6.805 1.00 0.00 O ATOM 1498 CB ALA B 46 0.922 0.660 4.701 1.00 0.00 C ATOM 0 H ALA B 46 -0.872 -0.950 4.912 1.00 0.00 H new ATOM 0 HA ALA B 46 2.054 -1.194 4.489 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.813 1.278 4.809 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.586 0.686 3.664 1.00 0.00 H new ATOM 0 HB3 ALA B 46 0.133 1.044 5.348 1.00 0.00 H new ATOM 1504 N GLN B 47 0.892 -1.178 7.477 1.00 0.00 N ATOM 1505 CA GLN B 47 1.371 -1.280 8.884 1.00 0.00 C ATOM 1506 C GLN B 47 2.312 -2.478 9.013 1.00 0.00 C ATOM 1507 O GLN B 47 3.190 -2.504 9.853 1.00 0.00 O ATOM 1508 CB GLN B 47 0.120 -1.460 9.750 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.555 -2.800 9.445 1.00 0.00 C ATOM 1510 CD GLN B 47 -1.498 -3.165 10.592 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -2.181 -2.313 11.127 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -1.566 -4.403 10.996 1.00 0.00 N ATOM 0 H GLN B 47 -0.100 -1.365 7.333 1.00 0.00 H new ATOM 0 HA GLN B 47 1.926 -0.396 9.197 1.00 0.00 H new ATOM 0 HB2 GLN B 47 0.391 -1.414 10.805 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -0.578 -0.644 9.565 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -1.110 -2.736 8.509 1.00 0.00 H new ATOM 0 HG3 GLN B 47 0.197 -3.578 9.316 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -0.993 -5.118 10.548 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -2.192 -4.656 11.760 1.00 0.00 H new ATOM 1521 N ILE B 48 2.146 -3.468 8.175 1.00 0.00 N ATOM 1522 CA ILE B 48 3.046 -4.654 8.245 1.00 0.00 C ATOM 1523 C ILE B 48 4.495 -4.194 8.093 1.00 0.00 C ATOM 1524 O ILE B 48 5.410 -4.799 8.615 1.00 0.00 O ATOM 1525 CB ILE B 48 2.633 -5.539 7.069 1.00 0.00 C ATOM 1526 CG1 ILE B 48 1.195 -6.020 7.273 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.567 -6.748 6.986 1.00 0.00 C ATOM 1528 CD1 ILE B 48 1.099 -6.811 8.579 1.00 0.00 C ATOM 0 H ILE B 48 1.430 -3.506 7.450 1.00 0.00 H new ATOM 0 HA ILE B 48 2.969 -5.189 9.191 1.00 0.00 H new ATOM 0 HB ILE B 48 2.698 -4.966 6.144 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.516 -5.168 7.302 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.887 -6.644 6.434 1.00 0.00 H new ATOM 0 HG21 ILE B 48 3.272 -7.379 6.147 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.592 -6.407 6.841 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.503 -7.321 7.911 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.074 -7.153 8.723 1.00 0.00 H new ATOM 0 HD12 ILE B 48 1.766 -7.672 8.533 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.389 -6.172 9.413 1.00 0.00 H new ATOM 1540 N ARG B 49 4.703 -3.114 7.391 1.00 0.00 N ATOM 1541 CA ARG B 49 6.086 -2.593 7.208 1.00 0.00 C ATOM 1542 C ARG B 49 6.750 -2.406 8.578 1.00 0.00 C ATOM 1543 O ARG B 49 7.948 -2.542 8.723 1.00 0.00 O ATOM 1544 CB ARG B 49 5.899 -1.248 6.491 1.00 0.00 C ATOM 1545 CG ARG B 49 7.206 -0.449 6.502 1.00 0.00 C ATOM 1546 CD ARG B 49 6.981 0.887 7.214 1.00 0.00 C ATOM 1547 NE ARG B 49 6.490 0.526 8.574 1.00 0.00 N ATOM 1548 CZ ARG B 49 7.233 0.764 9.620 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.515 0.520 9.578 1.00 0.00 N ATOM 1550 NH2 ARG B 49 6.696 1.247 10.706 1.00 0.00 N ATOM 0 H ARG B 49 3.972 -2.569 6.935 1.00 0.00 H new ATOM 0 HA ARG B 49 6.727 -3.266 6.638 1.00 0.00 H new ATOM 0 HB2 ARG B 49 5.578 -1.418 5.463 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.111 -0.675 6.980 1.00 0.00 H new ATOM 0 HG2 ARG B 49 7.987 -1.016 7.008 1.00 0.00 H new ATOM 0 HG3 ARG B 49 7.548 -0.276 5.481 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.904 1.465 7.269 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.253 1.499 6.682 1.00 0.00 H new ATOM 0 HE ARG B 49 5.573 0.093 8.687 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.935 0.144 8.728 1.00 0.00 H new ATOM 0 HH12 ARG B 49 9.097 0.706 10.395 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.695 1.439 10.738 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.277 1.433 11.523 1.00 0.00 H new ATOM 1564 N ASP B 50 5.975 -2.103 9.584 1.00 0.00 N ATOM 1565 CA ASP B 50 6.557 -1.916 10.942 1.00 0.00 C ATOM 1566 C ASP B 50 6.886 -3.278 11.558 1.00 0.00 C ATOM 1567 O ASP B 50 7.863 -3.433 12.263 1.00 0.00 O ATOM 1568 CB ASP B 50 5.465 -1.212 11.749 1.00 0.00 C ATOM 1569 CG ASP B 50 6.073 -0.619 13.021 1.00 0.00 C ATOM 1570 OD1 ASP B 50 7.130 -1.079 13.420 1.00 0.00 O ATOM 1571 OD2 ASP B 50 5.470 0.285 13.577 1.00 0.00 O ATOM 0 H ASP B 50 4.965 -1.977 9.523 1.00 0.00 H new ATOM 0 HA ASP B 50 7.482 -1.339 10.923 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.007 -0.424 11.151 1.00 0.00 H new ATOM 0 HB3 ASP B 50 4.675 -1.918 12.006 1.00 0.00 H new ATOM 1576 N GLN B 51 6.078 -4.269 11.292 1.00 0.00 N ATOM 1577 CA GLN B 51 6.347 -5.622 11.858 1.00 0.00 C ATOM 1578 C GLN B 51 7.484 -6.297 11.087 1.00 0.00 C ATOM 1579 O GLN B 51 8.361 -6.909 11.664 1.00 0.00 O ATOM 1580 CB GLN B 51 5.041 -6.396 11.674 1.00 0.00 C ATOM 1581 CG GLN B 51 3.893 -5.628 12.332 1.00 0.00 C ATOM 1582 CD GLN B 51 2.557 -6.235 11.898 1.00 0.00 C ATOM 1583 OE1 GLN B 51 1.594 -5.526 11.687 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.459 -7.529 11.755 1.00 0.00 N ATOM 0 H GLN B 51 5.245 -4.200 10.708 1.00 0.00 H new ATOM 0 HA GLN B 51 6.651 -5.581 12.904 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.836 -6.537 10.613 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.129 -7.388 12.116 1.00 0.00 H new ATOM 0 HG2 GLN B 51 3.988 -5.670 13.417 1.00 0.00 H new ATOM 0 HG3 GLN B 51 3.936 -4.576 12.049 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.268 -8.124 11.932 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.573 -7.945 11.466 1.00 0.00 H new ATOM 1593 N LEU B 52 7.477 -6.188 9.786 1.00 0.00 N ATOM 1594 CA LEU B 52 8.558 -6.822 8.977 1.00 0.00 C ATOM 1595 C LEU B 52 9.916 -6.219 9.346 1.00 0.00 C ATOM 1596 O LEU B 52 10.883 -6.925 9.555 1.00 0.00 O ATOM 1597 CB LEU B 52 8.207 -6.501 7.523 1.00 0.00 C ATOM 1598 CG LEU B 52 8.040 -7.802 6.736 1.00 0.00 C ATOM 1599 CD1 LEU B 52 9.349 -8.592 6.772 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.924 -8.638 7.367 1.00 0.00 C ATOM 0 H LEU B 52 6.770 -5.687 9.248 1.00 0.00 H new ATOM 0 HA LEU B 52 8.628 -7.896 9.151 1.00 0.00 H new ATOM 0 HB2 LEU B 52 7.287 -5.918 7.481 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.992 -5.891 7.075 1.00 0.00 H new ATOM 0 HG LEU B 52 7.783 -7.571 5.702 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.230 -9.519 6.211 1.00 0.00 H new ATOM 0 HD12 LEU B 52 10.145 -7.997 6.325 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.606 -8.824 7.806 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.804 -9.566 6.807 1.00 0.00 H new ATOM 0 HD22 LEU B 52 7.182 -8.869 8.401 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.990 -8.076 7.343 1.00 0.00 H new ATOM 1612 N HIS B 53 9.995 -4.919 9.427 1.00 0.00 N ATOM 1613 CA HIS B 53 11.291 -4.271 9.782 1.00 0.00 C ATOM 1614 C HIS B 53 11.806 -4.812 11.119 1.00 0.00 C ATOM 1615 O HIS B 53 12.983 -5.061 11.287 1.00 0.00 O ATOM 1616 CB HIS B 53 10.968 -2.780 9.896 1.00 0.00 C ATOM 1617 CG HIS B 53 12.095 -1.976 9.307 1.00 0.00 C ATOM 1618 ND1 HIS B 53 12.842 -1.088 10.063 1.00 0.00 N ATOM 1619 CD2 HIS B 53 12.612 -1.916 8.036 1.00 0.00 C ATOM 1620 CE1 HIS B 53 13.760 -0.535 9.249 1.00 0.00 C ATOM 1621 NE2 HIS B 53 13.663 -1.005 8.002 1.00 0.00 N ATOM 0 H HIS B 53 9.219 -4.277 9.263 1.00 0.00 H new ATOM 0 HA HIS B 53 12.067 -4.466 9.042 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.037 -2.558 9.374 1.00 0.00 H new ATOM 0 HB3 HIS B 53 10.820 -2.508 10.941 1.00 0.00 H new ATOM 0 HD2 HIS B 53 12.257 -2.489 7.192 1.00 0.00 H new ATOM 0 HE1 HIS B 53 14.486 0.199 9.565 1.00 0.00 H new ATOM 0 HE2 HIS B 53 14.236 -0.751 7.198 1.00 0.00 H new ATOM 1629 N GLN B 54 10.933 -4.996 12.071 1.00 0.00 N ATOM 1630 CA GLN B 54 11.372 -5.520 13.396 1.00 0.00 C ATOM 1631 C GLN B 54 11.766 -6.995 13.279 1.00 0.00 C ATOM 1632 O GLN B 54 12.821 -7.404 13.720 1.00 0.00 O ATOM 1633 CB GLN B 54 10.157 -5.359 14.309 1.00 0.00 C ATOM 1634 CG GLN B 54 10.265 -4.041 15.078 1.00 0.00 C ATOM 1635 CD GLN B 54 10.996 -4.281 16.401 1.00 0.00 C ATOM 1636 OE1 GLN B 54 12.061 -4.864 16.423 1.00 0.00 O ATOM 1637 NE2 GLN B 54 10.463 -3.853 17.513 1.00 0.00 N ATOM 0 H GLN B 54 9.934 -4.806 11.989 1.00 0.00 H new ATOM 0 HA GLN B 54 12.243 -4.990 13.781 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.241 -5.373 13.718 1.00 0.00 H new ATOM 0 HB3 GLN B 54 10.100 -6.195 15.006 1.00 0.00 H new ATOM 0 HG2 GLN B 54 10.802 -3.303 14.482 1.00 0.00 H new ATOM 0 HG3 GLN B 54 9.271 -3.636 15.268 1.00 0.00 H new ATOM 0 HE21 GLN B 54 9.568 -3.363 17.494 1.00 0.00 H new ATOM 0 HE22 GLN B 54 10.941 -4.008 18.401 1.00 0.00 H new ATOM 1646 N LEU B 55 10.922 -7.798 12.689 1.00 0.00 N ATOM 1647 CA LEU B 55 11.247 -9.246 12.545 1.00 0.00 C ATOM 1648 C LEU B 55 12.596 -9.421 11.840 1.00 0.00 C ATOM 1649 O LEU B 55 13.237 -10.447 11.951 1.00 0.00 O ATOM 1650 CB LEU B 55 10.118 -9.823 11.691 1.00 0.00 C ATOM 1651 CG LEU B 55 8.826 -9.855 12.509 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.638 -9.533 11.601 1.00 0.00 C ATOM 1653 CD2 LEU B 55 8.640 -11.249 13.112 1.00 0.00 C ATOM 0 H LEU B 55 10.022 -7.514 12.301 1.00 0.00 H new ATOM 0 HA LEU B 55 11.327 -9.747 13.510 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.979 -9.218 10.795 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.376 -10.829 11.359 1.00 0.00 H new ATOM 0 HG LEU B 55 8.884 -9.116 13.308 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.718 -9.556 12.184 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.769 -8.541 11.169 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.580 -10.272 10.802 1.00 0.00 H new ATOM 0 HD21 LEU B 55 7.720 -11.273 13.695 1.00 0.00 H new ATOM 0 HD22 LEU B 55 8.582 -11.987 12.312 1.00 0.00 H new ATOM 0 HD23 LEU B 55 9.486 -11.481 13.759 1.00 0.00 H new ATOM 1665 N ARG B 56 13.032 -8.425 11.116 1.00 0.00 N ATOM 1666 CA ARG B 56 14.337 -8.537 10.406 1.00 0.00 C ATOM 1667 C ARG B 56 15.484 -8.649 11.415 1.00 0.00 C ATOM 1668 O ARG B 56 16.298 -9.548 11.347 1.00 0.00 O ATOM 1669 CB ARG B 56 14.460 -7.245 9.598 1.00 0.00 C ATOM 1670 CG ARG B 56 15.810 -7.219 8.878 1.00 0.00 C ATOM 1671 CD ARG B 56 16.561 -5.937 9.245 1.00 0.00 C ATOM 1672 NE ARG B 56 17.816 -5.984 8.445 1.00 0.00 N ATOM 1673 CZ ARG B 56 18.373 -4.877 8.040 1.00 0.00 C ATOM 1674 NH1 ARG B 56 19.588 -4.581 8.416 1.00 0.00 N ATOM 1675 NH2 ARG B 56 17.717 -4.063 7.258 1.00 0.00 N ATOM 0 H ARG B 56 12.541 -7.540 10.986 1.00 0.00 H new ATOM 0 HA ARG B 56 14.386 -9.422 9.772 1.00 0.00 H new ATOM 0 HB2 ARG B 56 13.648 -7.178 8.874 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.371 -6.382 10.257 1.00 0.00 H new ATOM 0 HG2 ARG B 56 16.400 -8.091 9.158 1.00 0.00 H new ATOM 0 HG3 ARG B 56 15.660 -7.269 7.800 1.00 0.00 H new ATOM 0 HD2 ARG B 56 15.972 -5.052 9.004 1.00 0.00 H new ATOM 0 HD3 ARG B 56 16.775 -5.897 10.313 1.00 0.00 H new ATOM 0 HE ARG B 56 18.240 -6.882 8.214 1.00 0.00 H new ATOM 0 HH11 ARG B 56 20.102 -5.216 9.027 1.00 0.00 H new ATOM 0 HH12 ARG B 56 20.023 -3.715 8.099 1.00 0.00 H new ATOM 0 HH21 ARG B 56 16.768 -4.293 6.963 1.00 0.00 H new ATOM 0 HH22 ARG B 56 18.154 -3.197 6.942 1.00 0.00 H new ATOM 1689 N GLU B 57 15.552 -7.744 12.352 1.00 0.00 N ATOM 1690 CA GLU B 57 16.647 -7.799 13.365 1.00 0.00 C ATOM 1691 C GLU B 57 16.573 -9.111 14.152 1.00 0.00 C ATOM 1692 O GLU B 57 17.579 -9.666 14.547 1.00 0.00 O ATOM 1693 CB GLU B 57 16.395 -6.605 14.286 1.00 0.00 C ATOM 1694 CG GLU B 57 17.467 -6.567 15.376 1.00 0.00 C ATOM 1695 CD GLU B 57 18.662 -5.745 14.890 1.00 0.00 C ATOM 1696 OE1 GLU B 57 18.643 -4.539 15.078 1.00 0.00 O ATOM 1697 OE2 GLU B 57 19.577 -6.335 14.338 1.00 0.00 O ATOM 0 H GLU B 57 14.898 -6.969 12.461 1.00 0.00 H new ATOM 0 HA GLU B 57 17.636 -7.759 12.908 1.00 0.00 H new ATOM 0 HB2 GLU B 57 16.412 -5.679 13.711 1.00 0.00 H new ATOM 0 HB3 GLU B 57 15.406 -6.682 14.737 1.00 0.00 H new ATOM 0 HG2 GLU B 57 17.058 -6.130 16.287 1.00 0.00 H new ATOM 0 HG3 GLU B 57 17.785 -7.580 15.623 1.00 0.00 H new ATOM 1704 N LEU B 58 15.389 -9.608 14.384 1.00 0.00 N ATOM 1705 CA LEU B 58 15.253 -10.883 15.147 1.00 0.00 C ATOM 1706 C LEU B 58 15.787 -12.055 14.319 1.00 0.00 C ATOM 1707 O LEU B 58 16.161 -13.082 14.850 1.00 0.00 O ATOM 1708 CB LEU B 58 13.752 -11.039 15.391 1.00 0.00 C ATOM 1709 CG LEU B 58 13.294 -10.013 16.429 1.00 0.00 C ATOM 1710 CD1 LEU B 58 11.779 -9.827 16.330 1.00 0.00 C ATOM 1711 CD2 LEU B 58 13.654 -10.514 17.830 1.00 0.00 C ATOM 0 H LEU B 58 14.511 -9.188 14.079 1.00 0.00 H new ATOM 0 HA LEU B 58 15.819 -10.869 16.079 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.205 -10.898 14.459 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.533 -12.048 15.740 1.00 0.00 H new ATOM 0 HG LEU B 58 13.790 -9.060 16.242 1.00 0.00 H new ATOM 0 HD11 LEU B 58 11.453 -9.096 17.070 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.520 -9.473 15.332 1.00 0.00 H new ATOM 0 HD13 LEU B 58 11.283 -10.779 16.518 1.00 0.00 H new ATOM 0 HD21 LEU B 58 13.329 -9.785 18.572 1.00 0.00 H new ATOM 0 HD22 LEU B 58 13.157 -11.466 18.015 1.00 0.00 H new ATOM 0 HD23 LEU B 58 14.733 -10.648 17.902 1.00 0.00 H new ATOM 1723 N PHE B 59 15.826 -11.910 13.022 1.00 0.00 N ATOM 1724 CA PHE B 59 16.337 -13.017 12.164 1.00 0.00 C ATOM 1725 C PHE B 59 17.771 -13.376 12.559 1.00 0.00 C ATOM 1726 O PHE B 59 18.107 -14.530 12.737 1.00 0.00 O ATOM 1727 CB PHE B 59 16.296 -12.464 10.739 1.00 0.00 C ATOM 1728 CG PHE B 59 16.693 -13.548 9.766 1.00 0.00 C ATOM 1729 CD1 PHE B 59 18.058 -13.784 9.488 1.00 0.00 C ATOM 1730 CD2 PHE B 59 15.698 -14.329 9.133 1.00 0.00 C ATOM 1731 CE1 PHE B 59 18.429 -14.799 8.578 1.00 0.00 C ATOM 1732 CE2 PHE B 59 16.069 -15.343 8.223 1.00 0.00 C ATOM 1733 CZ PHE B 59 17.435 -15.579 7.946 1.00 0.00 C ATOM 0 H PHE B 59 15.527 -11.074 12.520 1.00 0.00 H new ATOM 0 HA PHE B 59 15.744 -13.926 12.267 1.00 0.00 H new ATOM 0 HB2 PHE B 59 15.295 -12.101 10.507 1.00 0.00 H new ATOM 0 HB3 PHE B 59 16.972 -11.614 10.648 1.00 0.00 H new ATOM 0 HD1 PHE B 59 18.818 -13.188 9.971 1.00 0.00 H new ATOM 0 HD2 PHE B 59 14.654 -14.150 9.346 1.00 0.00 H new ATOM 0 HE1 PHE B 59 19.473 -14.979 8.365 1.00 0.00 H new ATOM 0 HE2 PHE B 59 15.309 -15.938 7.739 1.00 0.00 H new ATOM 0 HZ PHE B 59 17.719 -16.356 7.251 1.00 0.00 H new ATOM 1743 N ILE B 60 18.621 -12.395 12.698 1.00 0.00 N ATOM 1744 CA ILE B 60 20.034 -12.682 13.081 1.00 0.00 C ATOM 1745 C ILE B 60 20.110 -13.093 14.555 1.00 0.00 C ATOM 1746 O ILE B 60 20.771 -14.048 14.909 1.00 0.00 O ATOM 1747 CB ILE B 60 20.781 -11.368 12.853 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.588 -10.920 11.402 1.00 0.00 C ATOM 1749 CG2 ILE B 60 22.271 -11.572 13.128 1.00 0.00 C ATOM 1750 CD1 ILE B 60 19.820 -9.597 11.374 1.00 0.00 C ATOM 0 H ILE B 60 18.399 -11.409 12.563 1.00 0.00 H new ATOM 0 HA ILE B 60 20.461 -13.500 12.501 1.00 0.00 H new ATOM 0 HB ILE B 60 20.389 -10.606 13.527 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.556 -10.801 10.915 1.00 0.00 H new ATOM 0 HG13 ILE B 60 20.042 -11.681 10.845 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.803 -10.635 12.965 1.00 0.00 H new ATOM 0 HG22 ILE B 60 22.410 -11.893 14.160 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.664 -12.334 12.455 1.00 0.00 H new ATOM 0 HD11 ILE B 60 19.683 -9.278 10.341 1.00 0.00 H new ATOM 0 HD12 ILE B 60 18.846 -9.732 11.845 1.00 0.00 H new ATOM 0 HD13 ILE B 60 20.383 -8.838 11.916 1.00 0.00 H new ATOM 1762 N ALA B 61 19.436 -12.380 15.415 1.00 0.00 N ATOM 1763 CA ALA B 61 19.471 -12.730 16.864 1.00 0.00 C ATOM 1764 C ALA B 61 19.087 -14.199 17.063 1.00 0.00 C ATOM 1765 O ALA B 61 19.499 -14.835 18.013 1.00 0.00 O ATOM 1766 CB ALA B 61 18.436 -11.813 17.518 1.00 0.00 C ATOM 0 H ALA B 61 18.863 -11.570 15.178 1.00 0.00 H new ATOM 0 HA ALA B 61 20.463 -12.600 17.296 1.00 0.00 H new ATOM 0 HB1 ALA B 61 18.401 -12.010 18.590 1.00 0.00 H new ATOM 0 HB2 ALA B 61 18.713 -10.773 17.349 1.00 0.00 H new ATOM 0 HB3 ALA B 61 17.455 -12.002 17.082 1.00 0.00 H new ATOM 1772 N ALA B 62 18.303 -14.743 16.174 1.00 0.00 N ATOM 1773 CA ALA B 62 17.894 -16.170 16.312 1.00 0.00 C ATOM 1774 C ALA B 62 18.854 -17.073 15.532 1.00 0.00 C ATOM 1775 O ALA B 62 19.515 -17.925 16.092 1.00 0.00 O ATOM 1776 CB ALA B 62 16.489 -16.240 15.716 1.00 0.00 C ATOM 0 H ALA B 62 17.927 -14.261 15.357 1.00 0.00 H new ATOM 0 HA ALA B 62 17.913 -16.506 17.349 1.00 0.00 H new ATOM 0 HB1 ALA B 62 16.117 -17.263 15.780 1.00 0.00 H new ATOM 0 HB2 ALA B 62 15.825 -15.577 16.270 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.521 -15.931 14.671 1.00 0.00 H new ATOM 1782 N SER B 63 18.936 -16.893 14.241 1.00 0.00 N ATOM 1783 CA SER B 63 19.853 -17.742 13.427 1.00 0.00 C ATOM 1784 C SER B 63 20.901 -16.870 12.731 1.00 0.00 C ATOM 1785 O SER B 63 21.538 -16.084 13.412 1.00 0.00 O ATOM 1786 CB SER B 63 18.952 -18.422 12.398 1.00 0.00 C ATOM 1787 OG SER B 63 18.333 -17.432 11.588 1.00 0.00 O ATOM 1788 OXT SER B 63 21.050 -17.005 11.527 1.00 0.00 O ATOM 0 H SER B 63 18.408 -16.196 13.716 1.00 0.00 H new ATOM 0 HA SER B 63 20.396 -18.466 14.035 1.00 0.00 H new ATOM 0 HB2 SER B 63 19.537 -19.102 11.778 1.00 0.00 H new ATOM 0 HB3 SER B 63 18.194 -19.022 12.902 1.00 0.00 H new ATOM 0 HG SER B 63 18.313 -17.737 10.657 1.00 0.00 H new TER 1794 SER B 63