USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot 180:sc= -0.0846 USER MOD Set 1.2: A 53 GLN : amide:sc= 0.146 K(o=0.061,f=-3.9!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -125:sc= 0.315 (180deg=0) USER MOD Set 2.2: A 55 ASN : amide:sc= -2.22! K(o=-1.9!,f=-3.2) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 179:sc= -1.81 (180deg=-1.91) USER MOD Set 3.2: A 19 THR OG1 : rot -10:sc= 0.176 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.142 USER MOD Single : A 5 SER OG : rot -10:sc= 1.05 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 10 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.723) USER MOD Single : A 17 HIS : no HD1:sc= -1.91! C(o=-1.9!,f=-3.9!) USER MOD Single : A 20 ASN : amide:sc= -0.934 X(o=-0.93,f=-0.49) USER MOD Single : A 22 MET CE :methyl -155:sc= -0.209 (180deg=-1.45) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.348 K(o=-0.35,f=-1.5) USER MOD Single : A 29 HIS : no HD1:sc= -4.81 X(o=-4.8,f=-5.3!) USER MOD Single : A 32 HIS :FLIP no HD1:sc= -5.22 F(o=-6!,f=-5.2) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.486 K(o=-0.49,f=-4.4!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -66:sc= 0.742 USER MOD Single : A 48 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.7!) USER MOD Single : A 56 ASN : amide:sc= -0.713 X(o=-0.71,f=-0.36) USER MOD Single : A 60 ASN : amide:sc= -0.0441 K(o=-0.044,f=-0.93) USER MOD Single : A 67 GLN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.872 -19.051 14.080 1.00 0.00 N ATOM 2 CA GLY A 1 -1.045 -19.842 14.973 1.00 0.00 C ATOM 3 C GLY A 1 -0.405 -19.005 16.064 1.00 0.00 C ATOM 4 O GLY A 1 -1.051 -18.668 17.056 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.286 -19.668 13.353 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.633 -18.597 14.623 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.289 -18.321 13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.652 -20.624 15.428 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.265 -20.339 14.396 1.00 0.00 H new ATOM 8 N SER A 2 0.868 -18.671 15.881 1.00 0.00 N ATOM 9 CA SER A 2 1.597 -17.873 16.860 1.00 0.00 C ATOM 10 C SER A 2 0.860 -16.571 17.157 1.00 0.00 C ATOM 11 O SER A 2 0.164 -16.029 16.299 1.00 0.00 O ATOM 12 CB SER A 2 3.008 -17.570 16.353 1.00 0.00 C ATOM 13 OG SER A 2 3.809 -18.739 16.343 1.00 0.00 O ATOM 0 H SER A 2 1.416 -18.940 15.064 1.00 0.00 H new ATOM 0 HA SER A 2 1.666 -18.449 17.783 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.955 -17.154 15.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.471 -16.814 16.987 1.00 0.00 H new ATOM 0 HG SER A 2 4.705 -18.519 16.013 1.00 0.00 H new ATOM 19 N SER A 3 1.018 -16.074 18.380 1.00 0.00 N ATOM 20 CA SER A 3 0.365 -14.838 18.793 1.00 0.00 C ATOM 21 C SER A 3 0.618 -13.725 17.780 1.00 0.00 C ATOM 22 O SER A 3 -0.292 -12.979 17.421 1.00 0.00 O ATOM 23 CB SER A 3 0.865 -14.409 20.174 1.00 0.00 C ATOM 24 OG SER A 3 2.185 -13.897 20.102 1.00 0.00 O ATOM 0 H SER A 3 1.593 -16.509 19.102 1.00 0.00 H new ATOM 0 HA SER A 3 -0.708 -15.023 18.844 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.199 -13.650 20.586 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.838 -15.260 20.855 1.00 0.00 H new ATOM 0 HG SER A 3 2.481 -13.628 20.997 1.00 0.00 H new ATOM 30 N GLY A 4 1.862 -13.621 17.323 1.00 0.00 N ATOM 31 CA GLY A 4 2.214 -12.597 16.356 1.00 0.00 C ATOM 32 C GLY A 4 3.552 -12.860 15.695 1.00 0.00 C ATOM 33 O GLY A 4 3.803 -13.958 15.199 1.00 0.00 O ATOM 0 H GLY A 4 2.632 -14.227 17.605 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.439 -12.542 15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.242 -11.627 16.852 1.00 0.00 H new ATOM 37 N SER A 5 4.415 -11.848 15.686 1.00 0.00 N ATOM 38 CA SER A 5 5.733 -11.973 15.075 1.00 0.00 C ATOM 39 C SER A 5 6.678 -10.896 15.598 1.00 0.00 C ATOM 40 O SER A 5 6.241 -9.881 16.141 1.00 0.00 O ATOM 41 CB SER A 5 5.624 -11.878 13.552 1.00 0.00 C ATOM 42 OG SER A 5 4.898 -12.973 13.023 1.00 0.00 O ATOM 0 H SER A 5 4.225 -10.933 16.095 1.00 0.00 H new ATOM 0 HA SER A 5 6.139 -12.949 15.342 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.132 -10.945 13.277 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.622 -11.854 13.114 1.00 0.00 H new ATOM 0 HG SER A 5 4.758 -13.642 13.725 1.00 0.00 H new ATOM 48 N SER A 6 7.977 -11.124 15.430 1.00 0.00 N ATOM 49 CA SER A 6 8.985 -10.175 15.887 1.00 0.00 C ATOM 50 C SER A 6 9.025 -8.946 14.984 1.00 0.00 C ATOM 51 O SER A 6 8.340 -8.890 13.964 1.00 0.00 O ATOM 52 CB SER A 6 10.363 -10.840 15.923 1.00 0.00 C ATOM 53 OG SER A 6 10.568 -11.523 17.148 1.00 0.00 O ATOM 0 H SER A 6 8.356 -11.958 14.981 1.00 0.00 H new ATOM 0 HA SER A 6 8.716 -9.855 16.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.454 -11.540 15.093 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.138 -10.085 15.790 1.00 0.00 H new ATOM 0 HG SER A 6 11.455 -11.941 17.145 1.00 0.00 H new ATOM 59 N GLY A 7 9.833 -7.963 15.368 1.00 0.00 N ATOM 60 CA GLY A 7 9.947 -6.747 14.584 1.00 0.00 C ATOM 61 C GLY A 7 11.351 -6.529 14.055 1.00 0.00 C ATOM 62 O GLY A 7 12.315 -7.079 14.586 1.00 0.00 O ATOM 0 H GLY A 7 10.411 -7.987 16.208 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.249 -6.791 13.748 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.656 -5.894 15.197 1.00 0.00 H new ATOM 66 N LYS A 8 11.467 -5.724 13.004 1.00 0.00 N ATOM 67 CA LYS A 8 12.762 -5.434 12.401 1.00 0.00 C ATOM 68 C LYS A 8 12.797 -4.014 11.844 1.00 0.00 C ATOM 69 O LYS A 8 11.847 -3.566 11.204 1.00 0.00 O ATOM 70 CB LYS A 8 13.067 -6.438 11.288 1.00 0.00 C ATOM 71 CG LYS A 8 13.213 -7.867 11.781 1.00 0.00 C ATOM 72 CD LYS A 8 14.597 -8.120 12.355 1.00 0.00 C ATOM 73 CE LYS A 8 14.729 -9.538 12.889 1.00 0.00 C ATOM 74 NZ LYS A 8 16.147 -9.894 13.174 1.00 0.00 N ATOM 0 H LYS A 8 10.679 -5.261 12.552 1.00 0.00 H new ATOM 0 HA LYS A 8 13.523 -5.520 13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.270 -6.398 10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.987 -6.141 10.784 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.460 -8.069 12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.027 -8.557 10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.348 -7.949 11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.795 -7.408 13.157 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.139 -9.639 13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.317 -10.239 12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.194 -10.868 13.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.705 -9.822 12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.533 -9.241 13.886 1.00 0.00 H new ATOM 88 N ASN A 9 13.899 -3.314 12.089 1.00 0.00 N ATOM 89 CA ASN A 9 14.058 -1.945 11.610 1.00 0.00 C ATOM 90 C ASN A 9 15.040 -1.887 10.445 1.00 0.00 C ATOM 91 O ASN A 9 16.221 -2.202 10.597 1.00 0.00 O ATOM 92 CB ASN A 9 14.540 -1.039 12.745 1.00 0.00 C ATOM 93 CG ASN A 9 14.707 0.402 12.302 1.00 0.00 C ATOM 94 OD1 ASN A 9 13.911 0.918 11.516 1.00 0.00 O ATOM 95 ND2 ASN A 9 15.745 1.059 12.805 1.00 0.00 N ATOM 0 H ASN A 9 14.696 -3.671 12.616 1.00 0.00 H new ATOM 0 HA ASN A 9 13.087 -1.593 11.261 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.828 -1.083 13.569 1.00 0.00 H new ATOM 0 HB3 ASN A 9 15.491 -1.412 13.125 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.909 2.031 12.543 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.379 0.592 13.453 1.00 0.00 H new ATOM 102 N LYS A 10 14.545 -1.482 9.280 1.00 0.00 N ATOM 103 CA LYS A 10 15.378 -1.380 8.088 1.00 0.00 C ATOM 104 C LYS A 10 15.027 -0.132 7.284 1.00 0.00 C ATOM 105 O LYS A 10 13.864 0.265 7.214 1.00 0.00 O ATOM 106 CB LYS A 10 15.210 -2.626 7.215 1.00 0.00 C ATOM 107 CG LYS A 10 15.546 -3.921 7.933 1.00 0.00 C ATOM 108 CD LYS A 10 14.882 -5.115 7.269 1.00 0.00 C ATOM 109 CE LYS A 10 15.751 -5.693 6.162 1.00 0.00 C ATOM 110 NZ LYS A 10 15.660 -4.892 4.910 1.00 0.00 N ATOM 0 H LYS A 10 13.570 -1.219 9.136 1.00 0.00 H new ATOM 0 HA LYS A 10 16.418 -1.305 8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.181 -2.674 6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.847 -2.532 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.627 -4.063 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.224 -3.856 8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.683 -5.884 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.919 -4.814 6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.788 -5.729 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.446 -6.720 5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.873 -5.499 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.699 -4.507 4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.344 -4.110 4.948 1.00 0.00 H new ATOM 124 N ARG A 11 16.039 0.481 6.679 1.00 0.00 N ATOM 125 CA ARG A 11 15.837 1.683 5.880 1.00 0.00 C ATOM 126 C ARG A 11 15.864 1.357 4.390 1.00 0.00 C ATOM 127 O ARG A 11 16.845 0.819 3.879 1.00 0.00 O ATOM 128 CB ARG A 11 16.910 2.724 6.205 1.00 0.00 C ATOM 129 CG ARG A 11 18.324 2.165 6.191 1.00 0.00 C ATOM 130 CD ARG A 11 18.723 1.627 7.556 1.00 0.00 C ATOM 131 NE ARG A 11 19.741 0.584 7.456 1.00 0.00 N ATOM 132 CZ ARG A 11 19.978 -0.305 8.414 1.00 0.00 C ATOM 133 NH1 ARG A 11 19.274 -0.278 9.537 1.00 0.00 N ATOM 134 NH2 ARG A 11 20.921 -1.224 8.250 1.00 0.00 N ATOM 0 H ARG A 11 17.007 0.165 6.727 1.00 0.00 H new ATOM 0 HA ARG A 11 14.857 2.092 6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 11 16.843 3.539 5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.706 3.149 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 11 18.394 1.369 5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 11 19.022 2.945 5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 11 19.100 2.444 8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.843 1.228 8.060 1.00 0.00 H new ATOM 0 HE ARG A 11 20.300 0.536 6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.548 0.427 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.458 -0.962 10.271 1.00 0.00 H new ATOM 0 HH21 ARG A 11 21.465 -1.248 7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 11 21.102 -1.906 8.986 1.00 0.00 H new ATOM 148 N GLY A 12 14.778 1.686 3.697 1.00 0.00 N ATOM 149 CA GLY A 12 14.697 1.420 2.273 1.00 0.00 C ATOM 150 C GLY A 12 13.801 2.405 1.548 1.00 0.00 C ATOM 151 O GLY A 12 13.670 3.557 1.962 1.00 0.00 O ATOM 0 H GLY A 12 13.953 2.132 4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.697 1.459 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.321 0.409 2.116 1.00 0.00 H new ATOM 155 N VAL A 13 13.181 1.951 0.463 1.00 0.00 N ATOM 156 CA VAL A 13 12.293 2.800 -0.321 1.00 0.00 C ATOM 157 C VAL A 13 11.360 1.965 -1.191 1.00 0.00 C ATOM 158 O VAL A 13 11.665 0.819 -1.525 1.00 0.00 O ATOM 159 CB VAL A 13 13.088 3.766 -1.220 1.00 0.00 C ATOM 160 CG1 VAL A 13 13.850 2.997 -2.288 1.00 0.00 C ATOM 161 CG2 VAL A 13 12.159 4.793 -1.851 1.00 0.00 C ATOM 0 H VAL A 13 13.278 1.000 0.107 1.00 0.00 H new ATOM 0 HA VAL A 13 11.702 3.379 0.388 1.00 0.00 H new ATOM 0 HB VAL A 13 13.813 4.296 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.405 3.696 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.545 2.305 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.147 2.438 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.737 5.467 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.410 4.283 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.664 5.366 -1.067 1.00 0.00 H new ATOM 171 N LEU A 14 10.223 2.546 -1.557 1.00 0.00 N ATOM 172 CA LEU A 14 9.245 1.855 -2.390 1.00 0.00 C ATOM 173 C LEU A 14 8.672 2.793 -3.448 1.00 0.00 C ATOM 174 O LEU A 14 8.604 4.008 -3.265 1.00 0.00 O ATOM 175 CB LEU A 14 8.115 1.293 -1.525 1.00 0.00 C ATOM 176 CG LEU A 14 8.544 0.418 -0.346 1.00 0.00 C ATOM 177 CD1 LEU A 14 7.343 0.056 0.514 1.00 0.00 C ATOM 178 CD2 LEU A 14 9.246 -0.837 -0.842 1.00 0.00 C ATOM 0 H LEU A 14 9.956 3.493 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 14 9.751 1.032 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.531 2.128 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.452 0.709 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 14 9.246 0.984 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.667 -0.567 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.883 0.966 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.617 -0.492 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.544 -1.448 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.567 -1.407 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.130 -0.557 -1.415 1.00 0.00 H new ATOM 190 N PRO A 15 8.247 2.216 -4.582 1.00 0.00 N ATOM 191 CA PRO A 15 7.670 2.982 -5.691 1.00 0.00 C ATOM 192 C PRO A 15 6.297 3.550 -5.350 1.00 0.00 C ATOM 193 O PRO A 15 5.626 3.075 -4.433 1.00 0.00 O ATOM 194 CB PRO A 15 7.557 1.948 -6.815 1.00 0.00 C ATOM 195 CG PRO A 15 7.466 0.636 -6.115 1.00 0.00 C ATOM 196 CD PRO A 15 8.297 0.773 -4.869 1.00 0.00 C ATOM 0 HA PRO A 15 8.280 3.848 -5.949 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.677 2.129 -7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.423 1.985 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.432 0.395 -5.870 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.840 -0.170 -6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.888 0.185 -4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.319 0.430 -5.028 1.00 0.00 H new ATOM 204 N LYS A 16 5.882 4.570 -6.094 1.00 0.00 N ATOM 205 CA LYS A 16 4.587 5.203 -5.873 1.00 0.00 C ATOM 206 C LYS A 16 3.450 4.220 -6.133 1.00 0.00 C ATOM 207 O LYS A 16 2.413 4.265 -5.470 1.00 0.00 O ATOM 208 CB LYS A 16 4.434 6.428 -6.777 1.00 0.00 C ATOM 209 CG LYS A 16 3.356 7.394 -6.315 1.00 0.00 C ATOM 210 CD LYS A 16 3.783 8.150 -5.068 1.00 0.00 C ATOM 211 CE LYS A 16 2.647 8.998 -4.516 1.00 0.00 C ATOM 212 NZ LYS A 16 1.622 8.169 -3.824 1.00 0.00 N ATOM 0 H LYS A 16 6.425 4.976 -6.856 1.00 0.00 H new ATOM 0 HA LYS A 16 4.538 5.520 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.387 6.955 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.203 6.096 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.134 8.102 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.437 6.845 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.114 7.443 -4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.635 8.788 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.049 9.735 -3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.178 9.551 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.874 8.785 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.208 7.494 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.067 7.648 -3.042 1.00 0.00 H new ATOM 226 N HIS A 17 3.651 3.332 -7.102 1.00 0.00 N ATOM 227 CA HIS A 17 2.642 2.337 -7.448 1.00 0.00 C ATOM 228 C HIS A 17 2.282 1.485 -6.235 1.00 0.00 C ATOM 229 O HIS A 17 1.107 1.223 -5.975 1.00 0.00 O ATOM 230 CB HIS A 17 3.145 1.444 -8.582 1.00 0.00 C ATOM 231 CG HIS A 17 2.247 0.281 -8.872 1.00 0.00 C ATOM 232 ND1 HIS A 17 0.871 0.371 -8.856 1.00 0.00 N ATOM 233 CD2 HIS A 17 2.535 -1.003 -9.188 1.00 0.00 C ATOM 234 CE1 HIS A 17 0.351 -0.809 -9.148 1.00 0.00 C ATOM 235 NE2 HIS A 17 1.340 -1.660 -9.354 1.00 0.00 N ATOM 0 H HIS A 17 4.503 3.281 -7.661 1.00 0.00 H new ATOM 0 HA HIS A 17 1.747 2.863 -7.779 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.252 2.044 -9.486 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.137 1.072 -8.327 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.521 -1.432 -9.291 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.703 -1.038 -9.208 1.00 0.00 H new ATOM 0 HE2 HIS A 17 1.234 -2.645 -9.597 1.00 0.00 H new ATOM 244 N ALA A 18 3.299 1.054 -5.497 1.00 0.00 N ATOM 245 CA ALA A 18 3.089 0.232 -4.311 1.00 0.00 C ATOM 246 C ALA A 18 2.414 1.031 -3.202 1.00 0.00 C ATOM 247 O ALA A 18 1.453 0.569 -2.585 1.00 0.00 O ATOM 248 CB ALA A 18 4.413 -0.338 -3.823 1.00 0.00 C ATOM 0 H ALA A 18 4.277 1.260 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 18 2.429 -0.592 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.241 -0.950 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.856 -0.952 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.091 0.478 -3.574 1.00 0.00 H new ATOM 254 N THR A 19 2.923 2.234 -2.952 1.00 0.00 N ATOM 255 CA THR A 19 2.370 3.097 -1.915 1.00 0.00 C ATOM 256 C THR A 19 0.925 3.472 -2.225 1.00 0.00 C ATOM 257 O THR A 19 0.120 3.677 -1.318 1.00 0.00 O ATOM 258 CB THR A 19 3.200 4.384 -1.755 1.00 0.00 C ATOM 259 OG1 THR A 19 3.234 5.103 -2.993 1.00 0.00 O ATOM 260 CG2 THR A 19 4.619 4.062 -1.311 1.00 0.00 C ATOM 0 H THR A 19 3.717 2.632 -3.453 1.00 0.00 H new ATOM 0 HA THR A 19 2.404 2.533 -0.983 1.00 0.00 H new ATOM 0 HB THR A 19 2.728 5.001 -0.990 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.858 4.545 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.186 4.987 -1.205 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.591 3.541 -0.354 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.098 3.426 -2.056 1.00 0.00 H new ATOM 268 N ASN A 20 0.604 3.559 -3.511 1.00 0.00 N ATOM 269 CA ASN A 20 -0.745 3.910 -3.940 1.00 0.00 C ATOM 270 C ASN A 20 -1.771 2.947 -3.350 1.00 0.00 C ATOM 271 O ASN A 20 -2.650 3.350 -2.588 1.00 0.00 O ATOM 272 CB ASN A 20 -0.837 3.897 -5.467 1.00 0.00 C ATOM 273 CG ASN A 20 -0.506 5.245 -6.078 1.00 0.00 C ATOM 274 OD1 ASN A 20 -0.983 6.282 -5.615 1.00 0.00 O ATOM 275 ND2 ASN A 20 0.313 5.237 -7.122 1.00 0.00 N ATOM 0 H ASN A 20 1.259 3.391 -4.275 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.965 4.914 -3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.155 3.144 -5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.843 3.603 -5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.571 6.114 -7.574 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.685 4.354 -7.472 1.00 0.00 H new ATOM 282 N VAL A 21 -1.652 1.672 -3.707 1.00 0.00 N ATOM 283 CA VAL A 21 -2.567 0.651 -3.212 1.00 0.00 C ATOM 284 C VAL A 21 -2.689 0.712 -1.693 1.00 0.00 C ATOM 285 O VAL A 21 -3.773 0.936 -1.156 1.00 0.00 O ATOM 286 CB VAL A 21 -2.109 -0.761 -3.623 1.00 0.00 C ATOM 287 CG1 VAL A 21 -3.046 -1.814 -3.052 1.00 0.00 C ATOM 288 CG2 VAL A 21 -2.027 -0.874 -5.138 1.00 0.00 C ATOM 0 H VAL A 21 -0.931 1.322 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.540 0.854 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.114 -0.935 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.706 -2.805 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.049 -1.747 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.055 -1.646 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.702 -1.878 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.008 -0.680 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.312 -0.145 -5.519 1.00 0.00 H new ATOM 298 N MET A 22 -1.569 0.511 -1.007 1.00 0.00 N ATOM 299 CA MET A 22 -1.550 0.545 0.451 1.00 0.00 C ATOM 300 C MET A 22 -2.229 1.806 0.974 1.00 0.00 C ATOM 301 O MET A 22 -3.099 1.739 1.842 1.00 0.00 O ATOM 302 CB MET A 22 -0.111 0.476 0.965 1.00 0.00 C ATOM 303 CG MET A 22 0.587 -0.836 0.645 1.00 0.00 C ATOM 304 SD MET A 22 1.986 -1.163 1.734 1.00 0.00 S ATOM 305 CE MET A 22 3.358 -0.790 0.644 1.00 0.00 C ATOM 0 H MET A 22 -0.663 0.323 -1.437 1.00 0.00 H new ATOM 0 HA MET A 22 -2.101 -0.321 0.817 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.460 1.297 0.532 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.112 0.623 2.045 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.130 -1.653 0.726 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.933 -0.816 -0.388 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.242 -1.337 0.972 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.105 -1.086 -0.374 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.563 0.280 0.670 1.00 0.00 H new ATOM 315 N ARG A 23 -1.826 2.955 0.441 1.00 0.00 N ATOM 316 CA ARG A 23 -2.395 4.231 0.856 1.00 0.00 C ATOM 317 C ARG A 23 -3.917 4.212 0.738 1.00 0.00 C ATOM 318 O ARG A 23 -4.628 4.447 1.715 1.00 0.00 O ATOM 319 CB ARG A 23 -1.822 5.369 0.010 1.00 0.00 C ATOM 320 CG ARG A 23 -0.540 5.961 0.573 1.00 0.00 C ATOM 321 CD ARG A 23 0.146 6.867 -0.437 1.00 0.00 C ATOM 322 NE ARG A 23 1.538 7.128 -0.081 1.00 0.00 N ATOM 323 CZ ARG A 23 2.214 8.196 -0.491 1.00 0.00 C ATOM 324 NH1 ARG A 23 1.628 9.098 -1.267 1.00 0.00 N ATOM 325 NH2 ARG A 23 3.478 8.364 -0.125 1.00 0.00 N ATOM 0 H ARG A 23 -1.107 3.028 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.130 4.395 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.630 5.000 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.569 6.158 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.766 6.527 1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.137 5.157 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.104 6.406 -1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.395 7.811 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 23 2.018 6.453 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.656 8.973 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.149 9.917 -1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.932 7.673 0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.996 9.184 -0.441 1.00 0.00 H new ATOM 339 N SER A 24 -4.408 3.931 -0.464 1.00 0.00 N ATOM 340 CA SER A 24 -5.845 3.886 -0.712 1.00 0.00 C ATOM 341 C SER A 24 -6.546 3.008 0.320 1.00 0.00 C ATOM 342 O SER A 24 -7.505 3.433 0.964 1.00 0.00 O ATOM 343 CB SER A 24 -6.125 3.359 -2.120 1.00 0.00 C ATOM 344 OG SER A 24 -7.370 3.833 -2.603 1.00 0.00 O ATOM 0 H SER A 24 -3.832 3.731 -1.282 1.00 0.00 H new ATOM 0 HA SER A 24 -6.235 4.900 -0.627 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.327 3.671 -2.794 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.126 2.269 -2.110 1.00 0.00 H new ATOM 0 HG SER A 24 -7.525 3.484 -3.505 1.00 0.00 H new ATOM 350 N TRP A 25 -6.060 1.781 0.471 1.00 0.00 N ATOM 351 CA TRP A 25 -6.640 0.842 1.425 1.00 0.00 C ATOM 352 C TRP A 25 -6.635 1.424 2.834 1.00 0.00 C ATOM 353 O TRP A 25 -7.680 1.523 3.479 1.00 0.00 O ATOM 354 CB TRP A 25 -5.869 -0.479 1.403 1.00 0.00 C ATOM 355 CG TRP A 25 -6.342 -1.460 2.433 1.00 0.00 C ATOM 356 CD1 TRP A 25 -7.295 -2.424 2.270 1.00 0.00 C ATOM 357 CD2 TRP A 25 -5.885 -1.570 3.786 1.00 0.00 C ATOM 358 NE1 TRP A 25 -7.458 -3.127 3.440 1.00 0.00 N ATOM 359 CE2 TRP A 25 -6.604 -2.623 4.384 1.00 0.00 C ATOM 360 CE3 TRP A 25 -4.937 -0.883 4.548 1.00 0.00 C ATOM 361 CZ2 TRP A 25 -6.404 -3.001 5.709 1.00 0.00 C ATOM 362 CZ3 TRP A 25 -4.740 -1.259 5.863 1.00 0.00 C ATOM 363 CH2 TRP A 25 -5.469 -2.311 6.433 1.00 0.00 C ATOM 0 H TRP A 25 -5.267 1.413 -0.054 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.674 0.657 1.133 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.961 -0.929 0.414 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.810 -0.276 1.564 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -7.841 -2.607 1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.109 -3.899 3.582 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.368 -0.072 4.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.967 -3.810 6.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.011 -0.733 6.462 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.290 -2.583 7.463 1.00 0.00 H new ATOM 374 N LEU A 26 -5.455 1.809 3.307 1.00 0.00 N ATOM 375 CA LEU A 26 -5.314 2.382 4.641 1.00 0.00 C ATOM 376 C LEU A 26 -6.373 3.453 4.887 1.00 0.00 C ATOM 377 O LEU A 26 -7.069 3.430 5.902 1.00 0.00 O ATOM 378 CB LEU A 26 -3.917 2.980 4.816 1.00 0.00 C ATOM 379 CG LEU A 26 -3.469 3.227 6.257 1.00 0.00 C ATOM 380 CD1 LEU A 26 -2.982 1.934 6.894 1.00 0.00 C ATOM 381 CD2 LEU A 26 -2.380 4.289 6.302 1.00 0.00 C ATOM 0 H LEU A 26 -4.581 1.735 2.786 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.454 1.584 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.196 2.314 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.879 3.927 4.277 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.325 3.588 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.667 2.129 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.790 1.202 6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.139 1.543 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.073 4.452 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.523 3.956 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.763 5.221 5.886 1.00 0.00 H new ATOM 393 N PHE A 27 -6.489 4.388 3.951 1.00 0.00 N ATOM 394 CA PHE A 27 -7.463 5.467 4.065 1.00 0.00 C ATOM 395 C PHE A 27 -8.881 4.912 4.161 1.00 0.00 C ATOM 396 O PHE A 27 -9.680 5.359 4.984 1.00 0.00 O ATOM 397 CB PHE A 27 -7.354 6.412 2.867 1.00 0.00 C ATOM 398 CG PHE A 27 -6.064 7.181 2.826 1.00 0.00 C ATOM 399 CD1 PHE A 27 -5.662 7.942 3.912 1.00 0.00 C ATOM 400 CD2 PHE A 27 -5.255 7.145 1.702 1.00 0.00 C ATOM 401 CE1 PHE A 27 -4.476 8.651 3.878 1.00 0.00 C ATOM 402 CE2 PHE A 27 -4.068 7.851 1.662 1.00 0.00 C ATOM 403 CZ PHE A 27 -3.679 8.606 2.751 1.00 0.00 C ATOM 0 H PHE A 27 -5.921 4.421 3.105 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.246 6.022 4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.453 5.834 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.186 7.115 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.282 7.982 4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.556 6.558 0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.173 9.239 4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.445 7.812 0.780 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.753 9.161 2.721 1.00 0.00 H new ATOM 413 N GLN A 28 -9.186 3.934 3.313 1.00 0.00 N ATOM 414 CA GLN A 28 -10.508 3.319 3.301 1.00 0.00 C ATOM 415 C GLN A 28 -10.856 2.751 4.673 1.00 0.00 C ATOM 416 O GLN A 28 -12.015 2.771 5.089 1.00 0.00 O ATOM 417 CB GLN A 28 -10.568 2.212 2.248 1.00 0.00 C ATOM 418 CG GLN A 28 -10.714 2.731 0.827 1.00 0.00 C ATOM 419 CD GLN A 28 -11.989 3.525 0.624 1.00 0.00 C ATOM 420 OE1 GLN A 28 -12.935 3.414 1.405 1.00 0.00 O ATOM 421 NE2 GLN A 28 -12.023 4.333 -0.429 1.00 0.00 N ATOM 0 H GLN A 28 -8.536 3.551 2.626 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.238 4.089 3.051 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.662 1.609 2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.407 1.553 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.857 3.359 0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.700 1.890 0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.217 4.395 -1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.855 4.892 -0.616 1.00 0.00 H new ATOM 430 N HIS A 29 -9.846 2.243 5.372 1.00 0.00 N ATOM 431 CA HIS A 29 -10.045 1.669 6.698 1.00 0.00 C ATOM 432 C HIS A 29 -9.270 2.454 7.752 1.00 0.00 C ATOM 433 O HIS A 29 -8.793 1.887 8.735 1.00 0.00 O ATOM 434 CB HIS A 29 -9.609 0.204 6.714 1.00 0.00 C ATOM 435 CG HIS A 29 -9.874 -0.514 5.426 1.00 0.00 C ATOM 436 ND1 HIS A 29 -11.105 -1.040 5.097 1.00 0.00 N ATOM 437 CD2 HIS A 29 -9.057 -0.790 4.382 1.00 0.00 C ATOM 438 CE1 HIS A 29 -11.034 -1.610 3.908 1.00 0.00 C ATOM 439 NE2 HIS A 29 -9.802 -1.472 3.452 1.00 0.00 N ATOM 0 H HIS A 29 -8.881 2.217 5.042 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.107 1.727 6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.543 0.153 6.936 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.128 -0.312 7.522 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.014 -0.523 4.297 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.846 -2.105 3.395 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.460 -1.816 2.555 1.00 0.00 H new ATOM 448 N ILE A 30 -9.150 3.760 7.540 1.00 0.00 N ATOM 449 CA ILE A 30 -8.433 4.622 8.472 1.00 0.00 C ATOM 450 C ILE A 30 -8.806 4.301 9.916 1.00 0.00 C ATOM 451 O ILE A 30 -7.939 4.185 10.780 1.00 0.00 O ATOM 452 CB ILE A 30 -8.722 6.110 8.199 1.00 0.00 C ATOM 453 CG1 ILE A 30 -7.961 6.991 9.192 1.00 0.00 C ATOM 454 CG2 ILE A 30 -10.217 6.383 8.278 1.00 0.00 C ATOM 455 CD1 ILE A 30 -6.510 7.204 8.821 1.00 0.00 C ATOM 0 H ILE A 30 -9.540 4.245 6.731 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.370 4.433 8.322 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.381 6.352 7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.456 7.960 9.260 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.012 6.537 10.182 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.405 7.439 8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.737 5.778 7.535 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.581 6.128 9.273 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.033 7.837 9.569 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.000 6.242 8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.451 7.687 7.845 1.00 0.00 H new ATOM 467 N GLY A 31 -10.103 4.156 10.168 1.00 0.00 N ATOM 468 CA GLY A 31 -10.568 3.847 11.508 1.00 0.00 C ATOM 469 C GLY A 31 -9.868 2.640 12.101 1.00 0.00 C ATOM 470 O GLY A 31 -9.426 2.672 13.250 1.00 0.00 O ATOM 0 H GLY A 31 -10.840 4.247 9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.406 4.710 12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.642 3.664 11.483 1.00 0.00 H new ATOM 474 N HIS A 32 -9.766 1.572 11.316 1.00 0.00 N ATOM 475 CA HIS A 32 -9.115 0.349 11.772 1.00 0.00 C ATOM 476 C HIS A 32 -8.152 -0.181 10.713 1.00 0.00 C ATOM 477 O HIS A 32 -8.491 -1.050 9.910 1.00 0.00 O ATOM 478 CB HIS A 32 -10.160 -0.717 12.105 1.00 0.00 C ATOM 479 CG HIS A 32 -9.596 -1.904 12.823 1.00 0.00 C ATOM 480 ND1 HIS A 32 -9.639 -3.223 12.522 1.00 0.00 N flip ATOM 481 CD2 HIS A 32 -8.891 -1.805 14.004 1.00 0.00 C flip ATOM 482 CE1 HIS A 32 -8.965 -3.890 13.515 1.00 0.00 C flip ATOM 483 NE2 HIS A 32 -8.522 -3.011 14.397 1.00 0.00 N flip ATOM 0 H HIS A 32 -10.125 1.529 10.362 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.546 0.584 12.672 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.941 -0.269 12.719 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.633 -1.052 11.182 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.674 -0.885 14.526 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.820 -4.959 13.567 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.986 -3.227 15.238 1.00 0.00 H new ATOM 492 N PRO A 33 -6.923 0.356 10.709 1.00 0.00 N ATOM 493 CA PRO A 33 -5.886 -0.047 9.754 1.00 0.00 C ATOM 494 C PRO A 33 -5.375 -1.460 10.015 1.00 0.00 C ATOM 495 O PRO A 33 -4.314 -1.646 10.611 1.00 0.00 O ATOM 496 CB PRO A 33 -4.772 0.977 9.987 1.00 0.00 C ATOM 497 CG PRO A 33 -4.967 1.436 11.391 1.00 0.00 C ATOM 498 CD PRO A 33 -6.450 1.397 11.637 1.00 0.00 C ATOM 0 HA PRO A 33 -6.259 -0.065 8.730 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.788 0.529 9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.845 1.808 9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.438 0.788 12.090 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.575 2.443 11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.679 1.146 12.673 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.917 2.360 11.432 1.00 0.00 H new ATOM 506 N TYR A 34 -6.136 -2.451 9.565 1.00 0.00 N ATOM 507 CA TYR A 34 -5.760 -3.848 9.752 1.00 0.00 C ATOM 508 C TYR A 34 -6.010 -4.654 8.481 1.00 0.00 C ATOM 509 O TYR A 34 -7.148 -4.939 8.109 1.00 0.00 O ATOM 510 CB TYR A 34 -6.543 -4.456 10.917 1.00 0.00 C ATOM 511 CG TYR A 34 -6.022 -4.046 12.276 1.00 0.00 C ATOM 512 CD1 TYR A 34 -6.165 -2.741 12.731 1.00 0.00 C ATOM 513 CD2 TYR A 34 -5.389 -4.963 13.105 1.00 0.00 C ATOM 514 CE1 TYR A 34 -5.690 -2.361 13.971 1.00 0.00 C ATOM 515 CE2 TYR A 34 -4.913 -4.593 14.348 1.00 0.00 C ATOM 516 CZ TYR A 34 -5.065 -3.291 14.776 1.00 0.00 C ATOM 517 OH TYR A 34 -4.593 -2.917 16.013 1.00 0.00 O ATOM 0 H TYR A 34 -7.016 -2.314 9.068 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.695 -3.884 9.980 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.589 -4.161 10.834 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.511 -5.543 10.838 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.656 -2.011 12.104 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.267 -5.983 12.772 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.807 -1.342 14.309 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.425 -5.319 14.981 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.181 -3.690 16.453 1.00 0.00 H new ATOM 527 N PRO A 35 -4.919 -5.030 7.797 1.00 0.00 N ATOM 528 CA PRO A 35 -4.992 -5.810 6.557 1.00 0.00 C ATOM 529 C PRO A 35 -5.455 -7.242 6.800 1.00 0.00 C ATOM 530 O PRO A 35 -5.015 -7.896 7.746 1.00 0.00 O ATOM 531 CB PRO A 35 -3.551 -5.793 6.043 1.00 0.00 C ATOM 532 CG PRO A 35 -2.716 -5.590 7.260 1.00 0.00 C ATOM 533 CD PRO A 35 -3.531 -4.725 8.181 1.00 0.00 C ATOM 0 HA PRO A 35 -5.714 -5.394 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.299 -6.727 5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.398 -4.992 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.475 -6.543 7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.770 -5.110 7.009 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.342 -4.963 9.228 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.300 -3.668 8.048 1.00 0.00 H new ATOM 541 N THR A 36 -6.344 -7.726 5.938 1.00 0.00 N ATOM 542 CA THR A 36 -6.867 -9.081 6.059 1.00 0.00 C ATOM 543 C THR A 36 -5.921 -10.094 5.426 1.00 0.00 C ATOM 544 O THR A 36 -5.250 -9.796 4.438 1.00 0.00 O ATOM 545 CB THR A 36 -8.254 -9.209 5.401 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.148 -8.990 3.990 1.00 0.00 O ATOM 547 CG2 THR A 36 -9.232 -8.212 6.002 1.00 0.00 C ATOM 0 H THR A 36 -6.717 -7.199 5.148 1.00 0.00 H new ATOM 0 HA THR A 36 -6.958 -9.290 7.125 1.00 0.00 H new ATOM 0 HB THR A 36 -8.628 -10.216 5.585 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.033 -9.075 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.204 -8.321 5.522 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.332 -8.400 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.862 -7.199 5.845 1.00 0.00 H new ATOM 555 N GLU A 37 -5.873 -11.292 6.000 1.00 0.00 N ATOM 556 CA GLU A 37 -5.008 -12.349 5.489 1.00 0.00 C ATOM 557 C GLU A 37 -4.904 -12.280 3.968 1.00 0.00 C ATOM 558 O GLU A 37 -3.826 -12.456 3.400 1.00 0.00 O ATOM 559 CB GLU A 37 -5.536 -13.721 5.914 1.00 0.00 C ATOM 560 CG GLU A 37 -5.222 -14.073 7.358 1.00 0.00 C ATOM 561 CD GLU A 37 -5.804 -15.410 7.773 1.00 0.00 C ATOM 562 OE1 GLU A 37 -7.029 -15.475 8.011 1.00 0.00 O ATOM 563 OE2 GLU A 37 -5.037 -16.391 7.859 1.00 0.00 O ATOM 0 H GLU A 37 -6.422 -11.555 6.818 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.013 -12.204 5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.616 -13.746 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.109 -14.483 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.141 -14.093 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.612 -13.293 8.011 1.00 0.00 H new ATOM 570 N ASP A 38 -6.033 -12.025 3.316 1.00 0.00 N ATOM 571 CA ASP A 38 -6.070 -11.932 1.861 1.00 0.00 C ATOM 572 C ASP A 38 -5.447 -10.625 1.383 1.00 0.00 C ATOM 573 O ASP A 38 -4.559 -10.625 0.531 1.00 0.00 O ATOM 574 CB ASP A 38 -7.511 -12.038 1.359 1.00 0.00 C ATOM 575 CG ASP A 38 -7.661 -11.567 -0.075 1.00 0.00 C ATOM 576 OD1 ASP A 38 -7.699 -10.339 -0.294 1.00 0.00 O ATOM 577 OD2 ASP A 38 -7.742 -12.427 -0.977 1.00 0.00 O ATOM 0 H ASP A 38 -6.934 -11.879 3.771 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.489 -12.760 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.844 -13.073 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.161 -11.446 2.003 1.00 0.00 H new ATOM 582 N GLU A 39 -5.919 -9.512 1.937 1.00 0.00 N ATOM 583 CA GLU A 39 -5.408 -8.198 1.565 1.00 0.00 C ATOM 584 C GLU A 39 -3.889 -8.225 1.423 1.00 0.00 C ATOM 585 O GLU A 39 -3.333 -7.679 0.470 1.00 0.00 O ATOM 586 CB GLU A 39 -5.814 -7.155 2.608 1.00 0.00 C ATOM 587 CG GLU A 39 -7.257 -6.695 2.478 1.00 0.00 C ATOM 588 CD GLU A 39 -7.450 -5.688 1.361 1.00 0.00 C ATOM 589 OE1 GLU A 39 -6.649 -5.704 0.403 1.00 0.00 O ATOM 590 OE2 GLU A 39 -8.403 -4.885 1.445 1.00 0.00 O ATOM 0 H GLU A 39 -6.654 -9.494 2.644 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.841 -7.927 0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.662 -7.571 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.156 -6.290 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.895 -7.560 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.580 -6.253 3.421 1.00 0.00 H new ATOM 597 N LYS A 40 -3.222 -8.865 2.378 1.00 0.00 N ATOM 598 CA LYS A 40 -1.767 -8.965 2.360 1.00 0.00 C ATOM 599 C LYS A 40 -1.289 -9.716 1.122 1.00 0.00 C ATOM 600 O LYS A 40 -0.288 -9.346 0.507 1.00 0.00 O ATOM 601 CB LYS A 40 -1.270 -9.673 3.623 1.00 0.00 C ATOM 602 CG LYS A 40 -2.091 -9.357 4.861 1.00 0.00 C ATOM 603 CD LYS A 40 -1.242 -9.406 6.120 1.00 0.00 C ATOM 604 CE LYS A 40 -2.087 -9.692 7.352 1.00 0.00 C ATOM 605 NZ LYS A 40 -1.382 -9.315 8.608 1.00 0.00 N ATOM 0 H LYS A 40 -3.666 -9.322 3.174 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.358 -7.955 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.282 -10.750 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.233 -9.390 3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.537 -8.368 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.911 -10.069 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.478 -10.176 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.722 -8.456 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.026 -9.143 7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.339 -10.752 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.346 -10.136 9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.414 -9.008 8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.893 -8.537 9.073 1.00 0.00 H new ATOM 619 N LYS A 41 -2.010 -10.771 0.759 1.00 0.00 N ATOM 620 CA LYS A 41 -1.661 -11.572 -0.408 1.00 0.00 C ATOM 621 C LYS A 41 -1.961 -10.815 -1.697 1.00 0.00 C ATOM 622 O LYS A 41 -1.087 -10.652 -2.549 1.00 0.00 O ATOM 623 CB LYS A 41 -2.429 -12.896 -0.391 1.00 0.00 C ATOM 624 CG LYS A 41 -1.888 -13.901 0.611 1.00 0.00 C ATOM 625 CD LYS A 41 -2.688 -15.192 0.594 1.00 0.00 C ATOM 626 CE LYS A 41 -1.974 -16.301 1.352 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.072 -17.087 0.465 1.00 0.00 N ATOM 0 H LYS A 41 -2.841 -11.092 1.257 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.591 -11.778 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.476 -12.696 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.398 -13.337 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.844 -14.116 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.914 -13.469 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.668 -15.019 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.855 -15.504 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.395 -15.869 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.711 -16.966 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.604 -17.833 1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.628 -17.521 -0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.353 -16.457 0.055 1.00 0.00 H new ATOM 641 N GLN A 42 -3.200 -10.354 -1.833 1.00 0.00 N ATOM 642 CA GLN A 42 -3.613 -9.613 -3.019 1.00 0.00 C ATOM 643 C GLN A 42 -2.749 -8.372 -3.214 1.00 0.00 C ATOM 644 O GLN A 42 -2.154 -8.178 -4.275 1.00 0.00 O ATOM 645 CB GLN A 42 -5.085 -9.211 -2.908 1.00 0.00 C ATOM 646 CG GLN A 42 -6.027 -10.392 -2.735 1.00 0.00 C ATOM 647 CD GLN A 42 -6.254 -11.152 -4.027 1.00 0.00 C ATOM 648 OE1 GLN A 42 -5.374 -11.215 -4.886 1.00 0.00 O ATOM 649 NE2 GLN A 42 -7.438 -11.735 -4.171 1.00 0.00 N ATOM 0 H GLN A 42 -3.935 -10.480 -1.137 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.485 -10.262 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.205 -8.534 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.370 -8.657 -3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.619 -11.070 -1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.984 -10.036 -2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.138 -11.657 -3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.648 -12.261 -5.019 1.00 0.00 H new ATOM 658 N ILE A 43 -2.684 -7.534 -2.185 1.00 0.00 N ATOM 659 CA ILE A 43 -1.892 -6.312 -2.244 1.00 0.00 C ATOM 660 C ILE A 43 -0.459 -6.606 -2.673 1.00 0.00 C ATOM 661 O ILE A 43 0.076 -5.958 -3.573 1.00 0.00 O ATOM 662 CB ILE A 43 -1.870 -5.589 -0.884 1.00 0.00 C ATOM 663 CG1 ILE A 43 -3.279 -5.134 -0.501 1.00 0.00 C ATOM 664 CG2 ILE A 43 -0.918 -4.403 -0.930 1.00 0.00 C ATOM 665 CD1 ILE A 43 -3.419 -4.763 0.959 1.00 0.00 C ATOM 0 H ILE A 43 -3.170 -7.679 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.365 -5.665 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.515 -6.285 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.554 -4.275 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.985 -5.931 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.913 -3.902 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.088 -4.753 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.246 -3.703 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.444 -4.450 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.176 -5.626 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.738 -3.945 1.193 1.00 0.00 H new ATOM 677 N ALA A 44 0.157 -7.589 -2.026 1.00 0.00 N ATOM 678 CA ALA A 44 1.527 -7.973 -2.343 1.00 0.00 C ATOM 679 C ALA A 44 1.765 -7.962 -3.849 1.00 0.00 C ATOM 680 O ALA A 44 2.830 -7.560 -4.316 1.00 0.00 O ATOM 681 CB ALA A 44 1.838 -9.346 -1.767 1.00 0.00 C ATOM 0 H ALA A 44 -0.271 -8.135 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 44 2.197 -7.242 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.864 -9.619 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.717 -9.322 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.155 -10.082 -2.192 1.00 0.00 H new ATOM 687 N ALA A 45 0.766 -8.408 -4.604 1.00 0.00 N ATOM 688 CA ALA A 45 0.867 -8.448 -6.058 1.00 0.00 C ATOM 689 C ALA A 45 0.767 -7.048 -6.654 1.00 0.00 C ATOM 690 O ALA A 45 1.730 -6.538 -7.225 1.00 0.00 O ATOM 691 CB ALA A 45 -0.214 -9.349 -6.637 1.00 0.00 C ATOM 0 H ALA A 45 -0.122 -8.746 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 45 1.843 -8.856 -6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.127 -9.370 -7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.095 -10.359 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.195 -8.965 -6.359 1.00 0.00 H new ATOM 697 N GLN A 46 -0.404 -6.434 -6.518 1.00 0.00 N ATOM 698 CA GLN A 46 -0.629 -5.094 -7.046 1.00 0.00 C ATOM 699 C GLN A 46 0.551 -4.180 -6.731 1.00 0.00 C ATOM 700 O GLN A 46 0.909 -3.312 -7.528 1.00 0.00 O ATOM 701 CB GLN A 46 -1.915 -4.504 -6.466 1.00 0.00 C ATOM 702 CG GLN A 46 -3.136 -5.386 -6.671 1.00 0.00 C ATOM 703 CD GLN A 46 -4.424 -4.591 -6.752 1.00 0.00 C ATOM 704 OE1 GLN A 46 -4.875 -4.226 -7.838 1.00 0.00 O ATOM 705 NE2 GLN A 46 -5.024 -4.317 -5.599 1.00 0.00 N ATOM 0 H GLN A 46 -1.211 -6.843 -6.047 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.728 -5.169 -8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.777 -4.332 -5.399 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.098 -3.532 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.012 -5.964 -7.587 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.205 -6.100 -5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.615 -4.639 -4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.894 -3.784 -5.591 1.00 0.00 H new ATOM 714 N THR A 47 1.152 -4.380 -5.562 1.00 0.00 N ATOM 715 CA THR A 47 2.291 -3.573 -5.140 1.00 0.00 C ATOM 716 C THR A 47 3.608 -4.268 -5.467 1.00 0.00 C ATOM 717 O THR A 47 4.663 -3.636 -5.496 1.00 0.00 O ATOM 718 CB THR A 47 2.241 -3.277 -3.630 1.00 0.00 C ATOM 719 OG1 THR A 47 2.460 -4.481 -2.887 1.00 0.00 O ATOM 720 CG2 THR A 47 0.900 -2.673 -3.241 1.00 0.00 C ATOM 0 H THR A 47 0.869 -5.094 -4.891 1.00 0.00 H new ATOM 0 HA THR A 47 2.233 -2.633 -5.689 1.00 0.00 H new ATOM 0 HB THR A 47 3.027 -2.559 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.716 -5.100 -3.040 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.888 -2.472 -2.170 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.749 -1.741 -3.786 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.101 -3.372 -3.488 1.00 0.00 H new ATOM 728 N ASN A 48 3.538 -5.572 -5.713 1.00 0.00 N ATOM 729 CA ASN A 48 4.727 -6.353 -6.038 1.00 0.00 C ATOM 730 C ASN A 48 5.667 -6.437 -4.840 1.00 0.00 C ATOM 731 O ASN A 48 6.889 -6.427 -4.993 1.00 0.00 O ATOM 732 CB ASN A 48 5.458 -5.734 -7.232 1.00 0.00 C ATOM 733 CG ASN A 48 6.398 -6.715 -7.906 1.00 0.00 C ATOM 734 OD1 ASN A 48 6.238 -7.930 -7.782 1.00 0.00 O ATOM 735 ND2 ASN A 48 7.385 -6.191 -8.623 1.00 0.00 N ATOM 0 H ASN A 48 2.672 -6.110 -5.694 1.00 0.00 H new ATOM 0 HA ASN A 48 4.409 -7.362 -6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.727 -5.379 -7.958 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.024 -4.864 -6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.049 -6.801 -9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.479 -5.178 -8.698 1.00 0.00 H new ATOM 742 N LEU A 49 5.089 -6.522 -3.647 1.00 0.00 N ATOM 743 CA LEU A 49 5.874 -6.609 -2.420 1.00 0.00 C ATOM 744 C LEU A 49 5.599 -7.919 -1.689 1.00 0.00 C ATOM 745 O LEU A 49 4.581 -8.572 -1.924 1.00 0.00 O ATOM 746 CB LEU A 49 5.560 -5.425 -1.505 1.00 0.00 C ATOM 747 CG LEU A 49 5.660 -4.039 -2.142 1.00 0.00 C ATOM 748 CD1 LEU A 49 5.173 -2.970 -1.176 1.00 0.00 C ATOM 749 CD2 LEU A 49 7.090 -3.754 -2.578 1.00 0.00 C ATOM 0 H LEU A 49 4.079 -6.533 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 49 6.929 -6.581 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.550 -5.551 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.238 -5.461 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 49 5.021 -4.020 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.252 -1.990 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.133 -3.164 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.785 -2.989 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.142 -2.763 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.749 -3.793 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.404 -4.501 -3.307 1.00 0.00 H new ATOM 761 N THR A 50 6.511 -8.298 -0.799 1.00 0.00 N ATOM 762 CA THR A 50 6.366 -9.528 -0.032 1.00 0.00 C ATOM 763 C THR A 50 5.512 -9.305 1.210 1.00 0.00 C ATOM 764 O THR A 50 5.570 -8.243 1.833 1.00 0.00 O ATOM 765 CB THR A 50 7.736 -10.089 0.394 1.00 0.00 C ATOM 766 OG1 THR A 50 8.508 -9.065 1.030 1.00 0.00 O ATOM 767 CG2 THR A 50 8.495 -10.633 -0.807 1.00 0.00 C ATOM 0 H THR A 50 7.359 -7.770 -0.592 1.00 0.00 H new ATOM 0 HA THR A 50 5.873 -10.250 -0.683 1.00 0.00 H new ATOM 0 HB THR A 50 7.568 -10.905 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.377 -9.430 1.299 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.459 -11.024 -0.482 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.917 -11.433 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.653 -9.833 -1.530 1.00 0.00 H new ATOM 775 N LEU A 51 4.720 -10.310 1.568 1.00 0.00 N ATOM 776 CA LEU A 51 3.854 -10.223 2.738 1.00 0.00 C ATOM 777 C LEU A 51 4.512 -9.403 3.843 1.00 0.00 C ATOM 778 O LEU A 51 3.852 -8.618 4.525 1.00 0.00 O ATOM 779 CB LEU A 51 3.522 -11.624 3.256 1.00 0.00 C ATOM 780 CG LEU A 51 2.270 -12.277 2.669 1.00 0.00 C ATOM 781 CD1 LEU A 51 1.026 -11.493 3.059 1.00 0.00 C ATOM 782 CD2 LEU A 51 2.383 -12.382 1.155 1.00 0.00 C ATOM 0 H LEU A 51 4.660 -11.195 1.064 1.00 0.00 H new ATOM 0 HA LEU A 51 2.932 -9.724 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.374 -12.274 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.407 -11.572 4.339 1.00 0.00 H new ATOM 0 HG LEU A 51 2.183 -13.284 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.145 -11.973 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.936 -11.470 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.104 -10.474 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.483 -12.849 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.495 -11.385 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.252 -12.987 0.896 1.00 0.00 H new ATOM 794 N LEU A 52 5.817 -9.588 4.013 1.00 0.00 N ATOM 795 CA LEU A 52 6.566 -8.864 5.034 1.00 0.00 C ATOM 796 C LEU A 52 6.560 -7.365 4.752 1.00 0.00 C ATOM 797 O LEU A 52 6.176 -6.565 5.606 1.00 0.00 O ATOM 798 CB LEU A 52 8.006 -9.376 5.098 1.00 0.00 C ATOM 799 CG LEU A 52 8.809 -8.969 6.334 1.00 0.00 C ATOM 800 CD1 LEU A 52 8.596 -9.967 7.461 1.00 0.00 C ATOM 801 CD2 LEU A 52 10.287 -8.852 5.994 1.00 0.00 C ATOM 0 H LEU A 52 6.378 -10.233 3.457 1.00 0.00 H new ATOM 0 HA LEU A 52 6.082 -9.037 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.986 -10.465 5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.536 -9.023 4.213 1.00 0.00 H new ATOM 0 HG LEU A 52 8.456 -7.994 6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.175 -9.661 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.538 -10.001 7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.922 -10.956 7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.843 -8.562 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.655 -9.813 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.423 -8.098 5.219 1.00 0.00 H new ATOM 813 N GLN A 53 6.985 -6.992 3.550 1.00 0.00 N ATOM 814 CA GLN A 53 7.026 -5.588 3.156 1.00 0.00 C ATOM 815 C GLN A 53 5.660 -4.934 3.329 1.00 0.00 C ATOM 816 O GLN A 53 5.515 -3.961 4.070 1.00 0.00 O ATOM 817 CB GLN A 53 7.488 -5.458 1.703 1.00 0.00 C ATOM 818 CG GLN A 53 8.961 -5.775 1.502 1.00 0.00 C ATOM 819 CD GLN A 53 9.408 -5.584 0.066 1.00 0.00 C ATOM 820 OE1 GLN A 53 8.906 -6.243 -0.846 1.00 0.00 O ATOM 821 NE2 GLN A 53 10.356 -4.678 -0.144 1.00 0.00 N ATOM 0 H GLN A 53 7.306 -7.641 2.832 1.00 0.00 H new ATOM 0 HA GLN A 53 7.738 -5.075 3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.893 -6.126 1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.293 -4.443 1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.558 -5.136 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.152 -6.805 1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.744 -4.155 0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.696 -4.506 -1.090 1.00 0.00 H new ATOM 830 N VAL A 54 4.659 -5.473 2.639 1.00 0.00 N ATOM 831 CA VAL A 54 3.304 -4.942 2.717 1.00 0.00 C ATOM 832 C VAL A 54 2.861 -4.775 4.167 1.00 0.00 C ATOM 833 O VAL A 54 2.174 -3.814 4.509 1.00 0.00 O ATOM 834 CB VAL A 54 2.301 -5.854 1.987 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.887 -5.310 2.123 1.00 0.00 C ATOM 836 CG2 VAL A 54 2.685 -6.004 0.523 1.00 0.00 C ATOM 0 H VAL A 54 4.762 -6.277 2.020 1.00 0.00 H new ATOM 0 HA VAL A 54 3.318 -3.967 2.230 1.00 0.00 H new ATOM 0 HB VAL A 54 2.331 -6.841 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.192 -5.968 1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.616 -5.260 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.838 -4.312 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.965 -6.652 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.685 -5.025 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.680 -6.443 0.451 1.00 0.00 H new ATOM 846 N ASN A 55 3.261 -5.718 5.014 1.00 0.00 N ATOM 847 CA ASN A 55 2.905 -5.676 6.427 1.00 0.00 C ATOM 848 C ASN A 55 3.621 -4.528 7.134 1.00 0.00 C ATOM 849 O ASN A 55 2.984 -3.651 7.716 1.00 0.00 O ATOM 850 CB ASN A 55 3.256 -7.003 7.103 1.00 0.00 C ATOM 851 CG ASN A 55 2.112 -7.998 7.051 1.00 0.00 C ATOM 852 OD1 ASN A 55 1.566 -8.387 8.083 1.00 0.00 O ATOM 853 ND2 ASN A 55 1.744 -8.414 5.845 1.00 0.00 N ATOM 0 H ASN A 55 3.832 -6.520 4.746 1.00 0.00 H new ATOM 0 HA ASN A 55 1.830 -5.512 6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.132 -7.434 6.618 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.526 -6.818 8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.980 -9.083 5.747 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.225 -8.065 5.016 1.00 0.00 H new ATOM 860 N ASN A 56 4.948 -4.542 7.078 1.00 0.00 N ATOM 861 CA ASN A 56 5.751 -3.503 7.713 1.00 0.00 C ATOM 862 C ASN A 56 5.215 -2.116 7.371 1.00 0.00 C ATOM 863 O ASN A 56 4.905 -1.323 8.260 1.00 0.00 O ATOM 864 CB ASN A 56 7.212 -3.619 7.275 1.00 0.00 C ATOM 865 CG ASN A 56 7.988 -4.622 8.107 1.00 0.00 C ATOM 866 OD1 ASN A 56 8.372 -4.338 9.242 1.00 0.00 O ATOM 867 ND2 ASN A 56 8.222 -5.802 7.545 1.00 0.00 N ATOM 0 H ASN A 56 5.491 -5.261 6.600 1.00 0.00 H new ATOM 0 HA ASN A 56 5.690 -3.641 8.793 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.252 -3.913 6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.690 -2.642 7.350 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.739 -6.517 8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.885 -5.993 6.602 1.00 0.00 H new ATOM 874 N TRP A 57 5.108 -1.832 6.078 1.00 0.00 N ATOM 875 CA TRP A 57 4.608 -0.541 5.619 1.00 0.00 C ATOM 876 C TRP A 57 3.325 -0.162 6.351 1.00 0.00 C ATOM 877 O TRP A 57 3.197 0.950 6.862 1.00 0.00 O ATOM 878 CB TRP A 57 4.357 -0.576 4.110 1.00 0.00 C ATOM 879 CG TRP A 57 4.075 0.774 3.524 1.00 0.00 C ATOM 880 CD1 TRP A 57 4.958 1.584 2.868 1.00 0.00 C ATOM 881 CD2 TRP A 57 2.825 1.472 3.541 1.00 0.00 C ATOM 882 NE1 TRP A 57 4.332 2.743 2.478 1.00 0.00 N ATOM 883 CE2 TRP A 57 3.023 2.698 2.878 1.00 0.00 C ATOM 884 CE3 TRP A 57 1.557 1.179 4.051 1.00 0.00 C ATOM 885 CZ2 TRP A 57 2.001 3.629 2.713 1.00 0.00 C ATOM 886 CZ3 TRP A 57 0.543 2.104 3.887 1.00 0.00 C ATOM 887 CH2 TRP A 57 0.769 3.316 3.222 1.00 0.00 C ATOM 0 H TRP A 57 5.360 -2.477 5.330 1.00 0.00 H new ATOM 0 HA TRP A 57 5.365 0.212 5.838 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.228 -1.005 3.614 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.515 -1.237 3.904 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.996 1.348 2.683 1.00 0.00 H new ATOM 0 HE1 TRP A 57 4.771 3.512 1.972 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.373 0.247 4.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.174 4.565 2.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -0.440 1.889 4.278 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -0.044 4.017 3.109 1.00 0.00 H new ATOM 898 N PHE A 58 2.378 -1.093 6.397 1.00 0.00 N ATOM 899 CA PHE A 58 1.105 -0.855 7.067 1.00 0.00 C ATOM 900 C PHE A 58 1.313 -0.604 8.558 1.00 0.00 C ATOM 901 O PHE A 58 0.957 0.456 9.074 1.00 0.00 O ATOM 902 CB PHE A 58 0.168 -2.048 6.865 1.00 0.00 C ATOM 903 CG PHE A 58 -0.597 -1.998 5.573 1.00 0.00 C ATOM 904 CD1 PHE A 58 -1.225 -0.830 5.170 1.00 0.00 C ATOM 905 CD2 PHE A 58 -0.687 -3.117 4.762 1.00 0.00 C ATOM 906 CE1 PHE A 58 -1.930 -0.781 3.982 1.00 0.00 C ATOM 907 CE2 PHE A 58 -1.391 -3.074 3.573 1.00 0.00 C ATOM 908 CZ PHE A 58 -2.012 -1.904 3.182 1.00 0.00 C ATOM 0 H PHE A 58 2.468 -2.019 5.978 1.00 0.00 H new ATOM 0 HA PHE A 58 0.652 0.033 6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.752 -2.968 6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.538 -2.090 7.694 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.163 0.051 5.791 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.202 -4.034 5.062 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.416 0.135 3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.455 -3.954 2.951 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.561 -1.867 2.252 1.00 0.00 H new ATOM 918 N ILE A 59 1.889 -1.586 9.242 1.00 0.00 N ATOM 919 CA ILE A 59 2.145 -1.472 10.673 1.00 0.00 C ATOM 920 C ILE A 59 2.727 -0.106 11.020 1.00 0.00 C ATOM 921 O ILE A 59 2.354 0.503 12.022 1.00 0.00 O ATOM 922 CB ILE A 59 3.110 -2.567 11.161 1.00 0.00 C ATOM 923 CG1 ILE A 59 2.524 -3.954 10.887 1.00 0.00 C ATOM 924 CG2 ILE A 59 3.401 -2.394 12.644 1.00 0.00 C ATOM 925 CD1 ILE A 59 3.573 -5.025 10.690 1.00 0.00 C ATOM 0 H ILE A 59 2.187 -2.470 8.829 1.00 0.00 H new ATOM 0 HA ILE A 59 1.186 -1.594 11.176 1.00 0.00 H new ATOM 0 HB ILE A 59 4.047 -2.474 10.613 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.879 -4.238 11.718 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.895 -3.905 9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.085 -3.176 12.974 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.856 -1.418 12.814 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.471 -2.464 13.208 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.085 -5.981 10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.204 -4.764 9.840 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.187 -5.102 11.587 1.00 0.00 H new ATOM 937 N ASN A 60 3.642 0.372 10.182 1.00 0.00 N ATOM 938 CA ASN A 60 4.275 1.668 10.400 1.00 0.00 C ATOM 939 C ASN A 60 3.348 2.803 9.977 1.00 0.00 C ATOM 940 O ASN A 60 3.291 3.846 10.628 1.00 0.00 O ATOM 941 CB ASN A 60 5.591 1.752 9.623 1.00 0.00 C ATOM 942 CG ASN A 60 6.566 2.734 10.244 1.00 0.00 C ATOM 943 OD1 ASN A 60 6.208 3.499 11.140 1.00 0.00 O ATOM 944 ND2 ASN A 60 7.806 2.717 9.769 1.00 0.00 N ATOM 0 H ASN A 60 3.961 -0.118 9.347 1.00 0.00 H new ATOM 0 HA ASN A 60 4.482 1.770 11.465 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.050 0.764 9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.385 2.050 8.595 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.506 3.355 10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.058 2.066 9.026 1.00 0.00 H new ATOM 951 N ALA A 61 2.624 2.593 8.883 1.00 0.00 N ATOM 952 CA ALA A 61 1.698 3.597 8.375 1.00 0.00 C ATOM 953 C ALA A 61 0.625 3.927 9.407 1.00 0.00 C ATOM 954 O ALA A 61 0.273 5.091 9.600 1.00 0.00 O ATOM 955 CB ALA A 61 1.058 3.118 7.080 1.00 0.00 C ATOM 0 H ALA A 61 2.661 1.736 8.331 1.00 0.00 H new ATOM 0 HA ALA A 61 2.263 4.507 8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.369 3.878 6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.833 2.940 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.513 2.192 7.264 1.00 0.00 H new ATOM 961 N ARG A 62 0.108 2.895 10.067 1.00 0.00 N ATOM 962 CA ARG A 62 -0.926 3.076 11.078 1.00 0.00 C ATOM 963 C ARG A 62 -0.360 3.760 12.319 1.00 0.00 C ATOM 964 O ARG A 62 -1.102 4.331 13.118 1.00 0.00 O ATOM 965 CB ARG A 62 -1.537 1.726 11.460 1.00 0.00 C ATOM 966 CG ARG A 62 -0.542 0.764 12.089 1.00 0.00 C ATOM 967 CD ARG A 62 -1.247 -0.384 12.793 1.00 0.00 C ATOM 968 NE ARG A 62 -0.305 -1.383 13.291 1.00 0.00 N ATOM 969 CZ ARG A 62 -0.673 -2.560 13.784 1.00 0.00 C ATOM 970 NH1 ARG A 62 -1.957 -2.884 13.845 1.00 0.00 N ATOM 971 NH2 ARG A 62 0.244 -3.415 14.217 1.00 0.00 N ATOM 0 H ARG A 62 0.389 1.926 9.919 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.704 3.713 10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.359 1.893 12.157 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.963 1.264 10.569 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.120 0.368 11.319 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.084 1.301 12.802 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.834 0.007 13.624 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.946 -0.857 12.104 1.00 0.00 H new ATOM 0 HE ARG A 62 0.691 -1.165 13.258 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.665 -2.229 13.513 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.237 -3.789 14.224 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.233 -3.169 14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.040 -4.319 14.595 1.00 0.00 H new ATOM 985 N ARG A 63 0.959 3.698 12.473 1.00 0.00 N ATOM 986 CA ARG A 63 1.624 4.309 13.617 1.00 0.00 C ATOM 987 C ARG A 63 1.861 5.797 13.377 1.00 0.00 C ATOM 988 O ARG A 63 1.581 6.628 14.241 1.00 0.00 O ATOM 989 CB ARG A 63 2.955 3.608 13.895 1.00 0.00 C ATOM 990 CG ARG A 63 2.816 2.345 14.729 1.00 0.00 C ATOM 991 CD ARG A 63 4.167 1.857 15.229 1.00 0.00 C ATOM 992 NE ARG A 63 4.617 2.602 16.402 1.00 0.00 N ATOM 993 CZ ARG A 63 4.256 2.304 17.645 1.00 0.00 C ATOM 994 NH1 ARG A 63 3.442 1.283 17.876 1.00 0.00 N ATOM 995 NH2 ARG A 63 4.708 3.029 18.660 1.00 0.00 N ATOM 0 H ARG A 63 1.588 3.231 11.820 1.00 0.00 H new ATOM 0 HA ARG A 63 0.974 4.197 14.485 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.428 3.356 12.946 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.621 4.301 14.409 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.161 2.539 15.578 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.343 1.564 14.133 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.101 0.797 15.476 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.905 1.954 14.433 1.00 0.00 H new ATOM 0 HE ARG A 63 5.243 3.395 16.259 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.091 0.724 17.098 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.166 1.056 18.832 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.333 3.816 18.486 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.430 2.799 19.614 1.00 0.00 H new ATOM 1009 N ARG A 64 2.378 6.126 12.197 1.00 0.00 N ATOM 1010 CA ARG A 64 2.654 7.513 11.844 1.00 0.00 C ATOM 1011 C ARG A 64 1.388 8.360 11.936 1.00 0.00 C ATOM 1012 O ARG A 64 1.445 9.547 12.258 1.00 0.00 O ATOM 1013 CB ARG A 64 3.234 7.596 10.431 1.00 0.00 C ATOM 1014 CG ARG A 64 2.228 7.270 9.339 1.00 0.00 C ATOM 1015 CD ARG A 64 2.605 7.926 8.020 1.00 0.00 C ATOM 1016 NE ARG A 64 1.448 8.106 7.148 1.00 0.00 N ATOM 1017 CZ ARG A 64 1.385 9.026 6.191 1.00 0.00 C ATOM 1018 NH1 ARG A 64 2.407 9.844 5.985 1.00 0.00 N ATOM 1019 NH2 ARG A 64 0.297 9.127 5.438 1.00 0.00 N ATOM 0 H ARG A 64 2.614 5.451 11.470 1.00 0.00 H new ATOM 0 HA ARG A 64 3.384 7.904 12.553 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.624 8.600 10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.077 6.910 10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.171 6.190 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.237 7.606 9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.066 8.894 8.215 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.351 7.315 7.511 1.00 0.00 H new ATOM 0 HE ARG A 64 0.644 7.492 7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.245 9.769 6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.356 10.549 5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.491 8.498 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.249 9.833 4.704 1.00 0.00 H new ATOM 1033 N ILE A 65 0.247 7.741 11.651 1.00 0.00 N ATOM 1034 CA ILE A 65 -1.032 8.438 11.702 1.00 0.00 C ATOM 1035 C ILE A 65 -1.514 8.599 13.140 1.00 0.00 C ATOM 1036 O ILE A 65 -2.146 9.597 13.487 1.00 0.00 O ATOM 1037 CB ILE A 65 -2.111 7.695 10.891 1.00 0.00 C ATOM 1038 CG1 ILE A 65 -2.237 6.249 11.374 1.00 0.00 C ATOM 1039 CG2 ILE A 65 -1.780 7.737 9.407 1.00 0.00 C ATOM 1040 CD1 ILE A 65 -3.544 5.594 10.986 1.00 0.00 C ATOM 0 H ILE A 65 0.182 6.759 11.383 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.872 9.423 11.263 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.068 8.194 11.044 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.412 5.665 10.966 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.137 6.227 12.459 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.551 7.208 8.847 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.736 8.774 9.073 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.815 7.259 9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.564 4.571 11.361 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.374 6.155 11.416 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.638 5.584 9.900 1.00 0.00 H new ATOM 1052 N LEU A 66 -1.210 7.610 13.974 1.00 0.00 N ATOM 1053 CA LEU A 66 -1.609 7.642 15.376 1.00 0.00 C ATOM 1054 C LEU A 66 -0.777 8.653 16.157 1.00 0.00 C ATOM 1055 O LEU A 66 -1.315 9.465 16.910 1.00 0.00 O ATOM 1056 CB LEU A 66 -1.462 6.253 16.000 1.00 0.00 C ATOM 1057 CG LEU A 66 -2.568 5.249 15.673 1.00 0.00 C ATOM 1058 CD1 LEU A 66 -2.056 3.825 15.817 1.00 0.00 C ATOM 1059 CD2 LEU A 66 -3.777 5.477 16.569 1.00 0.00 C ATOM 0 H LEU A 66 -0.688 6.776 13.703 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.654 7.947 15.423 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.510 5.831 15.679 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.411 6.367 17.083 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.875 5.399 14.638 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.857 3.125 15.580 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.222 3.667 15.133 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.721 3.661 16.841 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.554 4.754 16.322 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.485 5.355 17.612 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.159 6.486 16.415 1.00 0.00 H new ATOM 1071 N GLN A 67 0.538 8.600 15.970 1.00 0.00 N ATOM 1072 CA GLN A 67 1.444 9.513 16.657 1.00 0.00 C ATOM 1073 C GLN A 67 1.261 10.942 16.154 1.00 0.00 C ATOM 1074 O GLN A 67 0.953 11.164 14.984 1.00 0.00 O ATOM 1075 CB GLN A 67 2.895 9.072 16.456 1.00 0.00 C ATOM 1076 CG GLN A 67 3.331 7.965 17.403 1.00 0.00 C ATOM 1077 CD GLN A 67 4.720 7.445 17.093 1.00 0.00 C ATOM 1078 OE1 GLN A 67 5.623 7.515 17.928 1.00 0.00 O ATOM 1079 NE2 GLN A 67 4.901 6.919 15.887 1.00 0.00 N ATOM 0 H GLN A 67 0.999 7.935 15.349 1.00 0.00 H new ATOM 0 HA GLN A 67 1.207 9.488 17.721 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.024 8.731 15.429 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.550 9.933 16.591 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.307 8.338 18.427 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.618 7.142 17.347 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.125 6.881 15.226 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.816 6.553 15.622 1.00 0.00 H new ATOM 1088 N SER A 68 1.453 11.907 17.048 1.00 0.00 N ATOM 1089 CA SER A 68 1.304 13.314 16.696 1.00 0.00 C ATOM 1090 C SER A 68 2.637 14.047 16.815 1.00 0.00 C ATOM 1091 O SER A 68 3.411 13.806 17.741 1.00 0.00 O ATOM 1092 CB SER A 68 0.262 13.980 17.597 1.00 0.00 C ATOM 1093 OG SER A 68 -0.264 15.148 16.991 1.00 0.00 O ATOM 0 H SER A 68 1.712 11.740 18.020 1.00 0.00 H new ATOM 0 HA SER A 68 0.968 13.370 15.661 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.546 13.278 17.804 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.715 14.236 18.555 1.00 0.00 H new ATOM 0 HG SER A 68 -0.929 15.554 17.586 1.00 0.00 H new ATOM 1099 N GLY A 69 2.898 14.945 15.870 1.00 0.00 N ATOM 1100 CA GLY A 69 4.138 15.700 15.885 1.00 0.00 C ATOM 1101 C GLY A 69 4.605 16.075 14.493 1.00 0.00 C ATOM 1102 O GLY A 69 3.823 16.121 13.544 1.00 0.00 O ATOM 0 H GLY A 69 2.273 15.163 15.094 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.001 16.606 16.475 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.912 15.112 16.378 1.00 0.00 H new ATOM 1106 N PRO A 70 5.911 16.354 14.359 1.00 0.00 N ATOM 1107 CA PRO A 70 6.511 16.734 13.076 1.00 0.00 C ATOM 1108 C PRO A 70 6.557 15.571 12.091 1.00 0.00 C ATOM 1109 O PRO A 70 7.077 15.704 10.983 1.00 0.00 O ATOM 1110 CB PRO A 70 7.928 17.165 13.462 1.00 0.00 C ATOM 1111 CG PRO A 70 8.216 16.433 14.727 1.00 0.00 C ATOM 1112 CD PRO A 70 6.901 16.320 15.448 1.00 0.00 C ATOM 0 HA PRO A 70 5.937 17.511 12.571 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.646 16.907 12.683 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.988 18.244 13.607 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.634 15.448 14.521 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.947 16.970 15.331 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.836 15.396 16.022 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.755 17.142 16.149 1.00 0.00 H new ATOM 1120 N SER A 71 6.010 14.431 12.502 1.00 0.00 N ATOM 1121 CA SER A 71 5.992 13.244 11.656 1.00 0.00 C ATOM 1122 C SER A 71 5.833 13.625 10.187 1.00 0.00 C ATOM 1123 O SER A 71 4.876 14.301 9.810 1.00 0.00 O ATOM 1124 CB SER A 71 4.857 12.308 12.077 1.00 0.00 C ATOM 1125 OG SER A 71 4.884 11.105 11.330 1.00 0.00 O ATOM 0 H SER A 71 5.574 14.305 13.415 1.00 0.00 H new ATOM 0 HA SER A 71 6.944 12.727 11.778 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.944 12.082 13.140 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.898 12.807 11.934 1.00 0.00 H new ATOM 0 HG SER A 71 4.150 10.524 11.619 1.00 0.00 H new ATOM 1131 N SER A 72 6.779 13.186 9.363 1.00 0.00 N ATOM 1132 CA SER A 72 6.747 13.484 7.936 1.00 0.00 C ATOM 1133 C SER A 72 6.045 12.371 7.164 1.00 0.00 C ATOM 1134 O SER A 72 5.860 11.268 7.675 1.00 0.00 O ATOM 1135 CB SER A 72 8.168 13.673 7.401 1.00 0.00 C ATOM 1136 OG SER A 72 8.171 14.471 6.230 1.00 0.00 O ATOM 0 H SER A 72 7.577 12.623 9.659 1.00 0.00 H new ATOM 0 HA SER A 72 6.187 14.409 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.788 14.141 8.165 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.610 12.701 7.183 1.00 0.00 H new ATOM 0 HG SER A 72 9.091 14.578 5.909 1.00 0.00 H new ATOM 1142 N GLY A 73 5.656 12.670 5.928 1.00 0.00 N ATOM 1143 CA GLY A 73 4.979 11.686 5.104 1.00 0.00 C ATOM 1144 C GLY A 73 5.946 10.824 4.318 1.00 0.00 C ATOM 1145 O GLY A 73 6.732 11.332 3.518 1.00 0.00 O ATOM 0 H GLY A 73 5.798 13.577 5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.362 11.049 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.307 12.195 4.413 1.00 0.00 H new TER 1149 GLY A 73