USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 966 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 99 SER OG : rot 169:sc= -1.71! USER MOD Set 1.2: A 106 THR OG1 : rot 112:sc= 0.424! USER MOD Set 2.1: A 92 THR OG1 : rot 152:sc= 1.21 USER MOD Set 2.2: A 94 GLN : amide:sc= -1.17! C(o=0.037!,f=-8.4!) USER MOD Set 3.1: A 23 SER OG : rot -120:sc= 0.145 USER MOD Set 3.2: A 45 LYS NZ :NH3+ -160:sc= 0.143 (180deg=0) USER MOD Set 4.1: A 20 CYS SG : rot 170:sc= -7.07! USER MOD Set 4.2: A 42 THR OG1 : rot 128:sc= -2.94! USER MOD Set 4.3: A 46 SER OG : rot 165:sc= -1.54! USER MOD Set 5.1: A 1 MET N :NH3+ 134:sc=-0.00431 (180deg=-0.807) USER MOD Set 5.2: A 2 ASN : amide:sc= -0.658 K(o=-0.66,f=-2.9!) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.572 (180deg=-1.82!) USER MOD Single : A 9 LYS NZ :NH3+ -175:sc= 0.0516 (180deg=0.0482) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.692 X(o=-0.69,f=-0.82) USER MOD Single : A 49 THR OG1 : rot 121:sc= 1.58 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -126:sc= 0.683 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.572 F(o=-1.9,f=-0.57) USER MOD Single : A 77 GLN : amide:sc= -3 K(o=-3,f=-7!) USER MOD Single : A 82 ASN : amide:sc= -0.395 K(o=-0.4,f=-4.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -149:sc= -3.85! USER MOD Single : A 85 MET CE :methyl 143:sc= -11.3! (180deg=-13.7!) USER MOD Single : A 89 SER OG : rot -80:sc= 0.219! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -5.14! C(o=-5.1!,f=-5.3!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -60:sc= 0.793 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -127:sc= -1.58! (180deg=-2.9!) USER MOD Single : A 109 SER OG : rot 99:sc= 0.139 USER MOD Single : A 112 TYR OH : rot 30:sc= -2.39! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -152:sc= -0.053 (180deg=-0.529) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.388 -24.652 -18.495 1.00 0.00 N ATOM 2 CA MET A 1 -2.274 -23.493 -18.798 1.00 0.00 C ATOM 3 C MET A 1 -3.150 -23.189 -17.581 1.00 0.00 C ATOM 4 O MET A 1 -4.363 -23.180 -17.664 1.00 0.00 O ATOM 5 CB MET A 1 -3.163 -23.830 -19.996 1.00 0.00 C ATOM 6 CG MET A 1 -3.969 -25.095 -19.695 1.00 0.00 C ATOM 7 SD MET A 1 -3.352 -26.460 -20.712 1.00 0.00 S ATOM 8 CE MET A 1 -2.880 -27.558 -19.354 1.00 0.00 C ATOM 0 H1 MET A 1 -1.404 -25.319 -19.293 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.415 -24.316 -18.345 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.725 -25.131 -17.636 1.00 0.00 H new ATOM 0 HA MET A 1 -1.664 -22.621 -19.033 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.836 -22.999 -20.208 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.551 -23.979 -20.886 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.887 -25.349 -18.638 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.026 -24.923 -19.900 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.112 -28.589 -19.622 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.811 -27.464 -19.165 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.433 -27.284 -18.455 1.00 0.00 H new ATOM 20 N ASN A 2 -2.547 -22.941 -16.451 1.00 0.00 N ATOM 21 CA ASN A 2 -3.347 -22.638 -15.231 1.00 0.00 C ATOM 22 C ASN A 2 -2.623 -21.582 -14.395 1.00 0.00 C ATOM 23 O ASN A 2 -3.219 -20.634 -13.922 1.00 0.00 O ATOM 24 CB ASN A 2 -3.518 -23.914 -14.404 1.00 0.00 C ATOM 25 CG ASN A 2 -2.187 -24.666 -14.345 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.321 -24.331 -13.561 1.00 0.00 O ATOM 27 ND2 ASN A 2 -1.986 -25.677 -15.147 1.00 0.00 N ATOM 0 H ASN A 2 -1.535 -22.935 -16.320 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.327 -22.260 -15.524 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.852 -23.665 -13.397 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.286 -24.547 -14.848 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.102 -26.185 -15.115 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.713 -25.958 -15.805 1.00 0.00 H new ATOM 34 N GLY A 3 -1.340 -21.735 -14.208 1.00 0.00 N ATOM 35 CA GLY A 3 -0.580 -20.739 -13.403 1.00 0.00 C ATOM 36 C GLY A 3 -1.344 -20.431 -12.114 1.00 0.00 C ATOM 37 O GLY A 3 -1.953 -21.299 -11.521 1.00 0.00 O ATOM 0 H GLY A 3 -0.786 -22.507 -14.578 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.411 -21.127 -13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.435 -19.825 -13.979 1.00 0.00 H new ATOM 41 N GLU A 4 -1.317 -19.203 -11.677 1.00 0.00 N ATOM 42 CA GLU A 4 -2.042 -18.841 -10.427 1.00 0.00 C ATOM 43 C GLU A 4 -2.342 -17.341 -10.428 1.00 0.00 C ATOM 44 O GLU A 4 -1.459 -16.521 -10.584 1.00 0.00 O ATOM 45 CB GLU A 4 -1.175 -19.188 -9.216 1.00 0.00 C ATOM 46 CG GLU A 4 -1.660 -20.503 -8.601 1.00 0.00 C ATOM 47 CD GLU A 4 -0.512 -21.513 -8.585 1.00 0.00 C ATOM 48 OE1 GLU A 4 0.630 -21.084 -8.576 1.00 0.00 O ATOM 49 OE2 GLU A 4 -0.794 -22.701 -8.586 1.00 0.00 O ATOM 0 H GLU A 4 -0.824 -18.434 -12.131 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.977 -19.398 -10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.131 -19.278 -9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.226 -18.388 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.021 -20.331 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.498 -20.898 -9.175 1.00 0.00 H new ATOM 56 N VAL A 5 -3.582 -16.974 -10.253 1.00 0.00 N ATOM 57 CA VAL A 5 -3.937 -15.527 -10.242 1.00 0.00 C ATOM 58 C VAL A 5 -5.027 -15.277 -9.198 1.00 0.00 C ATOM 59 O VAL A 5 -6.105 -14.812 -9.512 1.00 0.00 O ATOM 60 CB VAL A 5 -4.450 -15.118 -11.624 1.00 0.00 C ATOM 61 CG1 VAL A 5 -3.315 -15.230 -12.644 1.00 0.00 C ATOM 62 CG2 VAL A 5 -5.597 -16.043 -12.035 1.00 0.00 C ATOM 0 H VAL A 5 -4.365 -17.614 -10.117 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.054 -14.938 -9.993 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.807 -14.089 -11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.681 -14.939 -13.629 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.497 -14.572 -12.351 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.958 -16.259 -12.680 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.964 -15.753 -13.020 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.240 -17.072 -12.070 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.406 -15.964 -11.309 1.00 0.00 H new ATOM 72 N ALA A 6 -4.757 -15.582 -7.959 1.00 0.00 N ATOM 73 CA ALA A 6 -5.779 -15.361 -6.898 1.00 0.00 C ATOM 74 C ALA A 6 -6.887 -16.411 -7.030 1.00 0.00 C ATOM 75 O ALA A 6 -7.970 -16.110 -7.488 1.00 0.00 O ATOM 76 CB ALA A 6 -6.380 -13.962 -7.052 1.00 0.00 C ATOM 0 H ALA A 6 -3.873 -15.975 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.310 -15.449 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.128 -13.800 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.592 -13.215 -6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.849 -13.873 -8.032 1.00 0.00 H new ATOM 82 N PRO A 7 -6.578 -17.618 -6.623 1.00 0.00 N ATOM 83 CA PRO A 7 -7.526 -18.718 -6.687 1.00 0.00 C ATOM 84 C PRO A 7 -8.868 -18.327 -6.046 1.00 0.00 C ATOM 85 O PRO A 7 -9.908 -18.562 -6.627 1.00 0.00 O ATOM 86 CB PRO A 7 -6.862 -19.852 -5.914 1.00 0.00 C ATOM 87 CG PRO A 7 -5.340 -19.510 -5.994 1.00 0.00 C ATOM 88 CD PRO A 7 -5.258 -17.958 -6.071 1.00 0.00 C ATOM 0 HA PRO A 7 -7.754 -19.002 -7.714 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.210 -19.891 -4.882 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.079 -20.822 -6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.808 -19.887 -5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.881 -19.970 -6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.095 -17.507 -5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.446 -17.622 -6.716 1.00 0.00 H new ATOM 96 N PRO A 8 -8.818 -17.748 -4.865 1.00 0.00 N ATOM 97 CA PRO A 8 -10.030 -17.345 -4.171 1.00 0.00 C ATOM 98 C PRO A 8 -10.592 -16.061 -4.790 1.00 0.00 C ATOM 99 O PRO A 8 -11.373 -16.100 -5.720 1.00 0.00 O ATOM 100 CB PRO A 8 -9.588 -17.104 -2.734 1.00 0.00 C ATOM 101 CG PRO A 8 -8.076 -16.741 -2.866 1.00 0.00 C ATOM 102 CD PRO A 8 -7.562 -17.460 -4.150 1.00 0.00 C ATOM 0 HA PRO A 8 -10.819 -18.094 -4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.155 -16.296 -2.271 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.734 -17.990 -2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.941 -15.662 -2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.520 -17.069 -1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.897 -16.825 -4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.009 -18.369 -3.915 1.00 0.00 H new ATOM 110 N LYS A 9 -10.200 -14.924 -4.283 1.00 0.00 N ATOM 111 CA LYS A 9 -10.710 -13.643 -4.845 1.00 0.00 C ATOM 112 C LYS A 9 -9.526 -12.749 -5.221 1.00 0.00 C ATOM 113 O LYS A 9 -9.034 -12.789 -6.331 1.00 0.00 O ATOM 114 CB LYS A 9 -11.574 -12.934 -3.801 1.00 0.00 C ATOM 115 CG LYS A 9 -13.051 -13.073 -4.177 1.00 0.00 C ATOM 116 CD LYS A 9 -13.501 -14.517 -3.949 1.00 0.00 C ATOM 117 CE LYS A 9 -14.511 -14.913 -5.027 1.00 0.00 C ATOM 118 NZ LYS A 9 -14.509 -16.395 -5.191 1.00 0.00 N ATOM 0 H LYS A 9 -9.549 -14.828 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.310 -13.847 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.397 -13.364 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.301 -11.880 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.656 -12.393 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.200 -12.795 -5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.641 -15.186 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.950 -14.618 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.508 -14.569 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.258 -14.432 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.132 -16.658 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.542 -16.721 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.852 -16.842 -4.316 1.00 0.00 H new ATOM 132 N GLU A 10 -9.064 -11.946 -4.302 1.00 0.00 N ATOM 133 CA GLU A 10 -7.911 -11.052 -4.606 1.00 0.00 C ATOM 134 C GLU A 10 -7.065 -10.862 -3.346 1.00 0.00 C ATOM 135 O GLU A 10 -5.853 -10.819 -3.403 1.00 0.00 O ATOM 136 CB GLU A 10 -8.424 -9.687 -5.074 1.00 0.00 C ATOM 137 CG GLU A 10 -9.678 -9.872 -5.930 1.00 0.00 C ATOM 138 CD GLU A 10 -9.284 -10.420 -7.302 1.00 0.00 C ATOM 139 OE1 GLU A 10 -8.104 -10.650 -7.511 1.00 0.00 O ATOM 140 OE2 GLU A 10 -10.170 -10.601 -8.122 1.00 0.00 O ATOM 0 H GLU A 10 -9.435 -11.870 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.306 -11.504 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.650 -9.058 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.652 -9.175 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.369 -10.557 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.198 -8.921 -6.042 1.00 0.00 H new ATOM 147 N ASP A 11 -7.698 -10.734 -2.211 1.00 0.00 N ATOM 148 CA ASP A 11 -6.935 -10.530 -0.948 1.00 0.00 C ATOM 149 C ASP A 11 -5.817 -9.516 -1.200 1.00 0.00 C ATOM 150 O ASP A 11 -4.650 -9.831 -1.065 1.00 0.00 O ATOM 151 CB ASP A 11 -6.335 -11.859 -0.484 1.00 0.00 C ATOM 152 CG ASP A 11 -6.687 -12.092 0.987 1.00 0.00 C ATOM 153 OD1 ASP A 11 -7.812 -11.806 1.359 1.00 0.00 O ATOM 154 OD2 ASP A 11 -5.824 -12.554 1.716 1.00 0.00 O ATOM 0 H ASP A 11 -8.712 -10.762 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.603 -10.155 -0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.719 -12.676 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.253 -11.846 -0.612 1.00 0.00 H new ATOM 159 N PRO A 12 -6.214 -8.327 -1.579 1.00 0.00 N ATOM 160 CA PRO A 12 -5.280 -7.257 -1.877 1.00 0.00 C ATOM 161 C PRO A 12 -4.802 -6.588 -0.586 1.00 0.00 C ATOM 162 O PRO A 12 -5.104 -7.032 0.505 1.00 0.00 O ATOM 163 CB PRO A 12 -6.095 -6.274 -2.707 1.00 0.00 C ATOM 164 CG PRO A 12 -7.562 -6.506 -2.224 1.00 0.00 C ATOM 165 CD PRO A 12 -7.635 -7.983 -1.735 1.00 0.00 C ATOM 0 HA PRO A 12 -4.389 -7.612 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.776 -5.246 -2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.990 -6.468 -3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.820 -5.817 -1.419 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.270 -6.329 -3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.182 -8.075 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.133 -8.628 -2.459 1.00 0.00 H new ATOM 173 N VAL A 13 -4.072 -5.514 -0.704 1.00 0.00 N ATOM 174 CA VAL A 13 -3.588 -4.799 0.508 1.00 0.00 C ATOM 175 C VAL A 13 -4.202 -3.398 0.526 1.00 0.00 C ATOM 176 O VAL A 13 -3.575 -2.443 0.116 1.00 0.00 O ATOM 177 CB VAL A 13 -2.063 -4.690 0.477 1.00 0.00 C ATOM 178 CG1 VAL A 13 -1.550 -4.331 1.872 1.00 0.00 C ATOM 179 CG2 VAL A 13 -1.465 -6.033 0.047 1.00 0.00 C ATOM 0 H VAL A 13 -3.789 -5.100 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.882 -5.349 1.402 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.768 -3.915 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.463 -4.253 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.976 -3.377 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.845 -5.107 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.378 -5.957 0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.760 -6.806 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.831 -6.293 -0.946 1.00 0.00 H new ATOM 189 N PRO A 14 -5.422 -3.322 0.996 1.00 0.00 N ATOM 190 CA PRO A 14 -6.143 -2.062 1.067 1.00 0.00 C ATOM 191 C PRO A 14 -5.267 -0.975 1.693 1.00 0.00 C ATOM 192 O PRO A 14 -4.733 -1.145 2.771 1.00 0.00 O ATOM 193 CB PRO A 14 -7.345 -2.362 1.957 1.00 0.00 C ATOM 194 CG PRO A 14 -7.566 -3.895 1.767 1.00 0.00 C ATOM 195 CD PRO A 14 -6.158 -4.495 1.492 1.00 0.00 C ATOM 0 HA PRO A 14 -6.435 -1.694 0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.145 -2.111 2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.222 -1.790 1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.013 -4.339 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.244 -4.092 0.937 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.707 -4.909 2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.192 -5.298 0.755 1.00 0.00 H new ATOM 203 N LEU A 15 -5.121 0.151 1.037 1.00 0.00 N ATOM 204 CA LEU A 15 -4.287 1.236 1.627 1.00 0.00 C ATOM 205 C LEU A 15 -5.130 2.505 1.860 1.00 0.00 C ATOM 206 O LEU A 15 -4.718 3.586 1.495 1.00 0.00 O ATOM 207 CB LEU A 15 -3.121 1.561 0.692 1.00 0.00 C ATOM 208 CG LEU A 15 -2.281 0.300 0.479 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.851 0.207 -0.986 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.040 0.359 1.371 1.00 0.00 C ATOM 0 H LEU A 15 -5.539 0.361 0.130 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.901 0.891 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.496 1.928 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.507 2.354 1.119 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.875 -0.577 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.253 -0.692 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.735 0.163 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.258 1.084 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.441 -0.539 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.448 1.238 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.345 0.420 2.416 1.00 0.00 H new ATOM 222 N PRO A 16 -6.270 2.333 2.495 1.00 0.00 N ATOM 223 CA PRO A 16 -7.163 3.433 2.828 1.00 0.00 C ATOM 224 C PRO A 16 -6.388 4.705 3.198 1.00 0.00 C ATOM 225 O PRO A 16 -6.894 5.802 3.064 1.00 0.00 O ATOM 226 CB PRO A 16 -7.959 2.915 4.017 1.00 0.00 C ATOM 227 CG PRO A 16 -7.962 1.362 3.827 1.00 0.00 C ATOM 228 CD PRO A 16 -6.749 1.014 2.909 1.00 0.00 C ATOM 0 HA PRO A 16 -7.795 3.717 1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.496 3.200 4.962 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.972 3.318 4.024 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.876 0.855 4.788 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.896 1.030 3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.982 0.455 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.048 0.406 2.056 1.00 0.00 H new ATOM 236 N GLU A 17 -5.168 4.585 3.655 1.00 0.00 N ATOM 237 CA GLU A 17 -4.385 5.805 4.016 1.00 0.00 C ATOM 238 C GLU A 17 -3.825 6.473 2.747 1.00 0.00 C ATOM 239 O GLU A 17 -2.873 7.225 2.803 1.00 0.00 O ATOM 240 CB GLU A 17 -3.227 5.411 4.934 1.00 0.00 C ATOM 241 CG GLU A 17 -3.159 6.381 6.116 1.00 0.00 C ATOM 242 CD GLU A 17 -2.270 5.791 7.211 1.00 0.00 C ATOM 243 OE1 GLU A 17 -1.200 5.307 6.883 1.00 0.00 O ATOM 244 OE2 GLU A 17 -2.676 5.832 8.362 1.00 0.00 O ATOM 0 H GLU A 17 -4.682 3.699 3.793 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.041 6.509 4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.365 4.392 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.288 5.429 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.762 7.342 5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.160 6.566 6.506 1.00 0.00 H new ATOM 251 N LEU A 18 -4.413 6.212 1.607 1.00 0.00 N ATOM 252 CA LEU A 18 -3.929 6.832 0.344 1.00 0.00 C ATOM 253 C LEU A 18 -5.136 7.064 -0.570 1.00 0.00 C ATOM 254 O LEU A 18 -5.455 6.232 -1.397 1.00 0.00 O ATOM 255 CB LEU A 18 -2.937 5.889 -0.341 1.00 0.00 C ATOM 256 CG LEU A 18 -1.851 6.706 -1.039 1.00 0.00 C ATOM 257 CD1 LEU A 18 -0.484 6.346 -0.454 1.00 0.00 C ATOM 258 CD2 LEU A 18 -1.863 6.391 -2.536 1.00 0.00 C ATOM 0 H LEU A 18 -5.214 5.590 1.500 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.430 7.778 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.488 5.221 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.457 5.262 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.041 7.768 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.290 6.929 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.475 6.568 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.292 5.284 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.089 6.973 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.672 5.328 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.837 6.647 -2.954 1.00 0.00 H new ATOM 270 N PRO A 19 -5.786 8.184 -0.375 1.00 0.00 N ATOM 271 CA PRO A 19 -6.970 8.539 -1.145 1.00 0.00 C ATOM 272 C PRO A 19 -6.742 8.319 -2.643 1.00 0.00 C ATOM 273 O PRO A 19 -5.699 8.636 -3.181 1.00 0.00 O ATOM 274 CB PRO A 19 -7.192 10.014 -0.843 1.00 0.00 C ATOM 275 CG PRO A 19 -6.540 10.202 0.563 1.00 0.00 C ATOM 276 CD PRO A 19 -5.373 9.176 0.631 1.00 0.00 C ATOM 0 HA PRO A 19 -7.831 7.925 -0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.722 10.652 -1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.252 10.266 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.173 11.220 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.265 10.023 1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.413 9.631 0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.273 8.735 1.623 1.00 0.00 H new ATOM 284 N CYS A 20 -7.721 7.781 -3.317 1.00 0.00 N ATOM 285 CA CYS A 20 -7.588 7.535 -4.780 1.00 0.00 C ATOM 286 C CYS A 20 -7.541 8.874 -5.524 1.00 0.00 C ATOM 287 O CYS A 20 -7.029 9.855 -5.023 1.00 0.00 O ATOM 288 CB CYS A 20 -8.794 6.726 -5.261 1.00 0.00 C ATOM 289 SG CYS A 20 -10.292 7.729 -5.107 1.00 0.00 S ATOM 0 H CYS A 20 -8.614 7.499 -2.913 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.670 6.982 -4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.652 6.422 -6.298 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.892 5.814 -4.672 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.276 7.136 -5.715 1.00 0.00 H new ATOM 295 N GLU A 21 -8.071 8.922 -6.719 1.00 0.00 N ATOM 296 CA GLU A 21 -8.056 10.195 -7.493 1.00 0.00 C ATOM 297 C GLU A 21 -8.501 11.349 -6.593 1.00 0.00 C ATOM 298 O GLU A 21 -7.709 12.181 -6.195 1.00 0.00 O ATOM 299 CB GLU A 21 -9.008 10.081 -8.688 1.00 0.00 C ATOM 300 CG GLU A 21 -8.557 11.036 -9.793 1.00 0.00 C ATOM 301 CD GLU A 21 -9.550 10.980 -10.955 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.741 11.020 -10.693 1.00 0.00 O ATOM 303 OE2 GLU A 21 -9.103 10.899 -12.088 1.00 0.00 O ATOM 0 H GLU A 21 -8.513 8.133 -7.191 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.045 10.386 -7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.020 9.057 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.026 10.320 -8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.492 12.053 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.560 10.763 -10.139 1.00 0.00 H new ATOM 310 N LYS A 22 -9.764 11.408 -6.267 1.00 0.00 N ATOM 311 CA LYS A 22 -10.257 12.509 -5.394 1.00 0.00 C ATOM 312 C LYS A 22 -11.645 12.152 -4.859 1.00 0.00 C ATOM 313 O LYS A 22 -12.433 13.015 -4.522 1.00 0.00 O ATOM 314 CB LYS A 22 -10.340 13.806 -6.202 1.00 0.00 C ATOM 315 CG LYS A 22 -10.704 14.966 -5.274 1.00 0.00 C ATOM 316 CD LYS A 22 -9.476 15.851 -5.053 1.00 0.00 C ATOM 317 CE LYS A 22 -9.638 16.634 -3.749 1.00 0.00 C ATOM 318 NZ LYS A 22 -8.678 16.113 -2.735 1.00 0.00 N ATOM 0 H LYS A 22 -10.475 10.741 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.569 12.646 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.386 14.004 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.087 13.709 -6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.514 15.552 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.065 14.582 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.576 15.238 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.355 16.539 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.458 17.695 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.660 16.540 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.787 16.645 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.870 15.106 -2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.706 16.224 -3.088 1.00 0.00 H new ATOM 332 N SER A 23 -11.953 10.887 -4.779 1.00 0.00 N ATOM 333 CA SER A 23 -13.289 10.477 -4.265 1.00 0.00 C ATOM 334 C SER A 23 -13.121 9.792 -2.909 1.00 0.00 C ATOM 335 O SER A 23 -12.133 9.979 -2.227 1.00 0.00 O ATOM 336 CB SER A 23 -13.938 9.505 -5.252 1.00 0.00 C ATOM 337 OG SER A 23 -15.321 9.810 -5.370 1.00 0.00 O ATOM 0 H SER A 23 -11.337 10.120 -5.047 1.00 0.00 H new ATOM 0 HA SER A 23 -13.923 11.356 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.453 9.579 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.808 8.479 -4.908 1.00 0.00 H new ATOM 0 HG SER A 23 -15.852 9.032 -5.100 1.00 0.00 H new ATOM 343 N ASP A 24 -14.075 8.996 -2.513 1.00 0.00 N ATOM 344 CA ASP A 24 -13.964 8.298 -1.202 1.00 0.00 C ATOM 345 C ASP A 24 -13.261 6.954 -1.402 1.00 0.00 C ATOM 346 O ASP A 24 -13.537 5.990 -0.715 1.00 0.00 O ATOM 347 CB ASP A 24 -15.363 8.063 -0.628 1.00 0.00 C ATOM 348 CG ASP A 24 -15.832 9.321 0.103 1.00 0.00 C ATOM 349 OD1 ASP A 24 -15.247 9.644 1.123 1.00 0.00 O ATOM 350 OD2 ASP A 24 -16.770 9.943 -0.370 1.00 0.00 O ATOM 0 H ASP A 24 -14.926 8.799 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.388 8.912 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.059 7.814 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.349 7.215 0.057 1.00 0.00 H new ATOM 355 N ALA A 25 -12.356 6.881 -2.340 1.00 0.00 N ATOM 356 CA ALA A 25 -11.639 5.599 -2.583 1.00 0.00 C ATOM 357 C ALA A 25 -10.223 5.690 -2.013 1.00 0.00 C ATOM 358 O ALA A 25 -9.837 6.684 -1.432 1.00 0.00 O ATOM 359 CB ALA A 25 -11.566 5.337 -4.088 1.00 0.00 C ATOM 0 H ALA A 25 -12.083 7.654 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.174 4.784 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.041 4.399 -4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.575 5.273 -4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.030 6.152 -4.574 1.00 0.00 H new ATOM 365 N TYR A 26 -9.448 4.655 -2.177 1.00 0.00 N ATOM 366 CA TYR A 26 -8.054 4.668 -1.652 1.00 0.00 C ATOM 367 C TYR A 26 -7.184 3.790 -2.550 1.00 0.00 C ATOM 368 O TYR A 26 -7.575 3.440 -3.642 1.00 0.00 O ATOM 369 CB TYR A 26 -8.035 4.125 -0.221 1.00 0.00 C ATOM 370 CG TYR A 26 -9.162 3.136 -0.029 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.481 3.592 0.082 1.00 0.00 C ATOM 372 CD2 TYR A 26 -8.887 1.766 0.041 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.525 2.676 0.262 1.00 0.00 C ATOM 374 CE2 TYR A 26 -9.931 0.850 0.221 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.250 1.305 0.332 1.00 0.00 C ATOM 376 OH TYR A 26 -12.278 0.403 0.509 1.00 0.00 O ATOM 0 H TYR A 26 -9.721 3.796 -2.655 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.669 5.688 -1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.079 3.643 -0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.135 4.945 0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.693 4.650 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.869 1.415 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.543 3.027 0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.718 -0.208 0.274 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.914 -0.507 0.535 1.00 0.00 H new ATOM 386 N PHE A 27 -6.007 3.433 -2.116 1.00 0.00 N ATOM 387 CA PHE A 27 -5.137 2.586 -2.981 1.00 0.00 C ATOM 388 C PHE A 27 -5.126 1.136 -2.486 1.00 0.00 C ATOM 389 O PHE A 27 -4.250 0.716 -1.759 1.00 0.00 O ATOM 390 CB PHE A 27 -3.714 3.143 -2.986 1.00 0.00 C ATOM 391 CG PHE A 27 -3.556 4.061 -4.173 1.00 0.00 C ATOM 392 CD1 PHE A 27 -4.650 4.814 -4.618 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.325 4.155 -4.833 1.00 0.00 C ATOM 394 CE1 PHE A 27 -4.512 5.662 -5.722 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.189 5.002 -5.938 1.00 0.00 C ATOM 396 CZ PHE A 27 -3.284 5.756 -6.382 1.00 0.00 C ATOM 0 H PHE A 27 -5.613 3.687 -1.210 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.537 2.601 -3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.517 3.685 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.990 2.330 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.600 4.740 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.482 3.574 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.355 6.244 -6.064 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.240 5.075 -6.449 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.178 6.410 -7.235 1.00 0.00 H new ATOM 406 N VAL A 28 -6.093 0.364 -2.892 1.00 0.00 N ATOM 407 CA VAL A 28 -6.143 -1.061 -2.473 1.00 0.00 C ATOM 408 C VAL A 28 -5.190 -1.873 -3.357 1.00 0.00 C ATOM 409 O VAL A 28 -5.517 -2.233 -4.470 1.00 0.00 O ATOM 410 CB VAL A 28 -7.574 -1.582 -2.635 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.582 -3.110 -2.560 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.452 -1.012 -1.519 1.00 0.00 C ATOM 0 H VAL A 28 -6.856 0.662 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.841 -1.157 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.963 -1.269 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.603 -3.475 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.959 -3.517 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.190 -3.429 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.471 -1.382 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.059 -1.324 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.453 0.076 -1.577 1.00 0.00 H new ATOM 422 N LEU A 29 -4.011 -2.154 -2.870 1.00 0.00 N ATOM 423 CA LEU A 29 -3.029 -2.933 -3.680 1.00 0.00 C ATOM 424 C LEU A 29 -3.736 -4.083 -4.399 1.00 0.00 C ATOM 425 O LEU A 29 -4.121 -5.061 -3.793 1.00 0.00 O ATOM 426 CB LEU A 29 -1.948 -3.506 -2.766 1.00 0.00 C ATOM 427 CG LEU A 29 -1.081 -4.485 -3.559 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.378 -4.032 -3.512 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.200 -5.883 -2.947 1.00 0.00 C ATOM 0 H LEU A 29 -3.685 -1.877 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.576 -2.269 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.333 -2.702 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.405 -4.013 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.419 -4.510 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.994 -4.731 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.464 -3.037 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.717 -4.005 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.582 -6.581 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.863 -5.856 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.240 -6.208 -2.982 1.00 0.00 H new ATOM 441 N ARG A 30 -3.899 -3.977 -5.688 1.00 0.00 N ATOM 442 CA ARG A 30 -4.572 -5.070 -6.443 1.00 0.00 C ATOM 443 C ARG A 30 -3.514 -5.930 -7.137 1.00 0.00 C ATOM 444 O ARG A 30 -2.416 -5.484 -7.406 1.00 0.00 O ATOM 445 CB ARG A 30 -5.510 -4.466 -7.489 1.00 0.00 C ATOM 446 CG ARG A 30 -6.862 -4.156 -6.842 1.00 0.00 C ATOM 447 CD ARG A 30 -7.971 -4.878 -7.608 1.00 0.00 C ATOM 448 NE ARG A 30 -9.273 -4.659 -6.917 1.00 0.00 N ATOM 449 CZ ARG A 30 -10.388 -5.002 -7.503 1.00 0.00 C ATOM 450 NH1 ARG A 30 -10.809 -6.235 -7.435 1.00 0.00 N ATOM 451 NH2 ARG A 30 -11.082 -4.111 -8.157 1.00 0.00 N ATOM 0 H ARG A 30 -3.596 -3.182 -6.251 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.150 -5.688 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.075 -3.556 -7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.642 -5.160 -8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.860 -4.473 -5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.042 -3.081 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.023 -4.506 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.753 -5.944 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.293 -4.241 -5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.267 -6.932 -6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.680 -6.502 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.753 -3.147 -8.210 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.953 -4.379 -8.615 1.00 0.00 H new ATOM 465 N ASP A 31 -3.832 -7.162 -7.426 1.00 0.00 N ATOM 466 CA ASP A 31 -2.842 -8.049 -8.098 1.00 0.00 C ATOM 467 C ASP A 31 -3.372 -8.459 -9.473 1.00 0.00 C ATOM 468 O ASP A 31 -4.313 -9.219 -9.584 1.00 0.00 O ATOM 469 CB ASP A 31 -2.618 -9.300 -7.246 1.00 0.00 C ATOM 470 CG ASP A 31 -3.967 -9.931 -6.899 1.00 0.00 C ATOM 471 OD1 ASP A 31 -4.692 -9.339 -6.116 1.00 0.00 O ATOM 472 OD2 ASP A 31 -4.254 -10.995 -7.423 1.00 0.00 O ATOM 0 H ASP A 31 -4.735 -7.592 -7.226 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.899 -7.515 -8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.999 -10.015 -7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.081 -9.040 -6.334 1.00 0.00 H new ATOM 477 N GLY A 32 -2.776 -7.962 -10.522 1.00 0.00 N ATOM 478 CA GLY A 32 -3.248 -8.327 -11.887 1.00 0.00 C ATOM 479 C GLY A 32 -2.334 -7.688 -12.934 1.00 0.00 C ATOM 480 O GLY A 32 -1.250 -7.230 -12.630 1.00 0.00 O ATOM 0 H GLY A 32 -1.984 -7.320 -10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.250 -9.411 -12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.274 -7.989 -12.030 1.00 0.00 H new ATOM 484 N ALA A 33 -2.762 -7.654 -14.165 1.00 0.00 N ATOM 485 CA ALA A 33 -1.919 -7.045 -15.232 1.00 0.00 C ATOM 486 C ALA A 33 -0.630 -7.856 -15.390 1.00 0.00 C ATOM 487 O ALA A 33 -0.581 -8.823 -16.124 1.00 0.00 O ATOM 488 CB ALA A 33 -1.575 -5.604 -14.850 1.00 0.00 C ATOM 0 H ALA A 33 -3.660 -8.022 -14.479 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.466 -7.049 -16.175 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.958 -5.158 -15.630 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.494 -5.028 -14.740 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.028 -5.598 -13.907 1.00 0.00 H new ATOM 494 N ALA A 34 0.415 -7.469 -14.709 1.00 0.00 N ATOM 495 CA ALA A 34 1.698 -8.220 -14.825 1.00 0.00 C ATOM 496 C ALA A 34 2.130 -8.716 -13.444 1.00 0.00 C ATOM 497 O ALA A 34 2.938 -9.615 -13.324 1.00 0.00 O ATOM 498 CB ALA A 34 2.777 -7.298 -15.396 1.00 0.00 C ATOM 0 H ALA A 34 0.436 -6.667 -14.079 1.00 0.00 H new ATOM 0 HA ALA A 34 1.559 -9.074 -15.488 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.716 -7.846 -15.481 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.471 -6.946 -16.381 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.914 -6.444 -14.733 1.00 0.00 H new ATOM 504 N GLY A 35 1.599 -8.140 -12.400 1.00 0.00 N ATOM 505 CA GLY A 35 1.986 -8.584 -11.030 1.00 0.00 C ATOM 506 C GLY A 35 1.107 -7.883 -9.994 1.00 0.00 C ATOM 507 O GLY A 35 -0.093 -8.061 -9.960 1.00 0.00 O ATOM 0 H GLY A 35 0.916 -7.383 -12.436 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.876 -9.665 -10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.036 -8.355 -10.846 1.00 0.00 H new ATOM 511 N VAL A 36 1.699 -7.089 -9.145 1.00 0.00 N ATOM 512 CA VAL A 36 0.901 -6.378 -8.107 1.00 0.00 C ATOM 513 C VAL A 36 0.984 -4.867 -8.345 1.00 0.00 C ATOM 514 O VAL A 36 1.803 -4.392 -9.106 1.00 0.00 O ATOM 515 CB VAL A 36 1.460 -6.716 -6.722 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.986 -6.639 -6.759 1.00 0.00 C ATOM 517 CG2 VAL A 36 0.925 -5.719 -5.689 1.00 0.00 C ATOM 0 H VAL A 36 2.701 -6.902 -9.125 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.141 -6.693 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 36 1.149 -7.723 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.386 -6.879 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.369 -7.351 -7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.293 -5.631 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.326 -5.964 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.231 -4.710 -5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.163 -5.773 -5.661 1.00 0.00 H new ATOM 527 N PHE A 37 0.139 -4.111 -7.699 1.00 0.00 N ATOM 528 CA PHE A 37 0.164 -2.633 -7.884 1.00 0.00 C ATOM 529 C PHE A 37 -0.862 -1.990 -6.946 1.00 0.00 C ATOM 530 O PHE A 37 -1.534 -2.667 -6.195 1.00 0.00 O ATOM 531 CB PHE A 37 -0.185 -2.299 -9.336 1.00 0.00 C ATOM 532 CG PHE A 37 -1.624 -2.667 -9.606 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.046 -3.996 -9.472 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.538 -1.680 -9.988 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.381 -4.335 -9.720 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.874 -2.018 -10.236 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.295 -3.347 -10.102 1.00 0.00 C ATOM 0 H PHE A 37 -0.569 -4.454 -7.050 1.00 0.00 H new ATOM 0 HA PHE A 37 1.158 -2.248 -7.653 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.029 -1.237 -9.523 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.474 -2.842 -10.014 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.341 -4.759 -9.177 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.213 -0.655 -10.092 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.706 -5.360 -9.616 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.579 -1.255 -10.530 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.325 -3.609 -10.294 1.00 0.00 H new ATOM 547 N LEU A 38 -0.988 -0.690 -6.981 1.00 0.00 N ATOM 548 CA LEU A 38 -1.972 -0.017 -6.084 1.00 0.00 C ATOM 549 C LEU A 38 -3.101 0.586 -6.918 1.00 0.00 C ATOM 550 O LEU A 38 -3.023 1.714 -7.362 1.00 0.00 O ATOM 551 CB LEU A 38 -1.279 1.099 -5.297 1.00 0.00 C ATOM 552 CG LEU A 38 0.171 0.710 -5.009 1.00 0.00 C ATOM 553 CD1 LEU A 38 1.105 1.604 -5.825 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.460 0.899 -3.519 1.00 0.00 C ATOM 0 H LEU A 38 -0.455 -0.068 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.380 -0.753 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.309 2.029 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.809 1.279 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 38 0.332 -0.333 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.140 1.330 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.897 1.475 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.945 2.646 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.494 0.622 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.302 1.943 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.209 0.267 -2.935 1.00 0.00 H new ATOM 566 N ALA A 39 -4.158 -0.151 -7.128 1.00 0.00 N ATOM 567 CA ALA A 39 -5.289 0.396 -7.926 1.00 0.00 C ATOM 568 C ALA A 39 -6.267 1.103 -6.988 1.00 0.00 C ATOM 569 O ALA A 39 -6.425 0.730 -5.838 1.00 0.00 O ATOM 570 CB ALA A 39 -6.016 -0.739 -8.650 1.00 0.00 C ATOM 0 H ALA A 39 -4.286 -1.102 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.902 1.100 -8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.842 -0.329 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.321 -1.249 -9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.404 -1.448 -7.918 1.00 0.00 H new ATOM 576 N ALA A 40 -6.924 2.118 -7.467 1.00 0.00 N ATOM 577 CA ALA A 40 -7.891 2.841 -6.602 1.00 0.00 C ATOM 578 C ALA A 40 -9.107 1.948 -6.360 1.00 0.00 C ATOM 579 O ALA A 40 -9.547 1.233 -7.237 1.00 0.00 O ATOM 580 CB ALA A 40 -8.329 4.133 -7.290 1.00 0.00 C ATOM 0 H ALA A 40 -6.834 2.478 -8.417 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.421 3.087 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.038 4.662 -6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.458 4.765 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.803 3.895 -8.242 1.00 0.00 H new ATOM 586 N ASN A 41 -9.650 1.977 -5.177 1.00 0.00 N ATOM 587 CA ASN A 41 -10.837 1.125 -4.887 1.00 0.00 C ATOM 588 C ASN A 41 -12.053 1.673 -5.642 1.00 0.00 C ATOM 589 O ASN A 41 -13.114 1.081 -5.640 1.00 0.00 O ATOM 590 CB ASN A 41 -11.108 1.124 -3.377 1.00 0.00 C ATOM 591 CG ASN A 41 -12.537 0.650 -3.102 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.425 1.452 -2.887 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.799 -0.629 -3.100 1.00 0.00 N ATOM 0 H ASN A 41 -9.325 2.552 -4.399 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.646 0.103 -5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.396 0.471 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.964 2.126 -2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.748 -0.955 -2.918 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.054 -1.302 -3.280 1.00 0.00 H new ATOM 600 N THR A 42 -11.905 2.794 -6.296 1.00 0.00 N ATOM 601 CA THR A 42 -13.051 3.371 -7.056 1.00 0.00 C ATOM 602 C THR A 42 -12.921 2.996 -8.535 1.00 0.00 C ATOM 603 O THR A 42 -13.749 3.355 -9.347 1.00 0.00 O ATOM 604 CB THR A 42 -13.046 4.895 -6.912 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.722 5.339 -6.652 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.962 5.304 -5.758 1.00 0.00 C ATOM 0 H THR A 42 -11.041 3.334 -6.337 1.00 0.00 H new ATOM 0 HA THR A 42 -13.986 2.974 -6.661 1.00 0.00 H new ATOM 0 HB THR A 42 -13.407 5.349 -7.835 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.484 6.047 -7.286 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.957 6.389 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.977 4.963 -5.961 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.605 4.852 -4.833 1.00 0.00 H new ATOM 614 N PHE A 43 -11.886 2.276 -8.887 1.00 0.00 N ATOM 615 CA PHE A 43 -11.690 1.870 -10.310 1.00 0.00 C ATOM 616 C PHE A 43 -13.045 1.512 -10.935 1.00 0.00 C ATOM 617 O PHE A 43 -13.880 0.916 -10.284 1.00 0.00 O ATOM 618 CB PHE A 43 -10.771 0.644 -10.355 1.00 0.00 C ATOM 619 CG PHE A 43 -10.602 0.186 -11.784 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.556 -0.655 -12.367 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.490 0.604 -12.524 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.398 -1.078 -13.693 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.331 0.180 -13.849 1.00 0.00 C ATOM 624 CZ PHE A 43 -10.286 -0.661 -14.433 1.00 0.00 C ATOM 0 H PHE A 43 -11.164 1.950 -8.244 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.242 2.692 -10.868 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.800 0.889 -9.925 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.193 -0.161 -9.753 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.413 -0.978 -11.795 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.754 1.254 -12.073 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.135 -1.726 -14.144 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.472 0.501 -14.420 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.164 -0.988 -15.455 1.00 0.00 H new ATOM 634 N PRO A 44 -13.224 1.875 -12.184 1.00 0.00 N ATOM 635 CA PRO A 44 -12.219 2.590 -12.960 1.00 0.00 C ATOM 636 C PRO A 44 -12.240 4.089 -12.634 1.00 0.00 C ATOM 637 O PRO A 44 -11.389 4.835 -13.075 1.00 0.00 O ATOM 638 CB PRO A 44 -12.642 2.368 -14.405 1.00 0.00 C ATOM 639 CG PRO A 44 -14.190 2.179 -14.308 1.00 0.00 C ATOM 640 CD PRO A 44 -14.466 1.564 -12.904 1.00 0.00 C ATOM 0 HA PRO A 44 -11.209 2.239 -12.750 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.380 3.218 -15.035 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.157 1.492 -14.835 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.706 3.132 -14.424 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.552 1.522 -15.099 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.337 2.012 -12.427 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.649 0.491 -12.958 1.00 0.00 H new ATOM 648 N LYS A 45 -13.208 4.538 -11.876 1.00 0.00 N ATOM 649 CA LYS A 45 -13.282 5.989 -11.535 1.00 0.00 C ATOM 650 C LYS A 45 -11.880 6.516 -11.221 1.00 0.00 C ATOM 651 O LYS A 45 -11.588 7.681 -11.406 1.00 0.00 O ATOM 652 CB LYS A 45 -14.196 6.178 -10.319 1.00 0.00 C ATOM 653 CG LYS A 45 -13.939 7.546 -9.689 1.00 0.00 C ATOM 654 CD LYS A 45 -14.963 7.803 -8.582 1.00 0.00 C ATOM 655 CE LYS A 45 -15.617 9.169 -8.797 1.00 0.00 C ATOM 656 NZ LYS A 45 -16.896 9.234 -8.035 1.00 0.00 N ATOM 0 H LYS A 45 -13.950 3.962 -11.479 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.688 6.543 -12.381 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.240 6.096 -10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.013 5.390 -9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.929 7.585 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.006 8.325 -10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.722 7.020 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.476 7.771 -7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.945 9.962 -8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.805 9.331 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.496 9.987 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.391 8.322 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.695 9.438 -7.035 1.00 0.00 H new ATOM 670 N SER A 46 -11.011 5.669 -10.749 1.00 0.00 N ATOM 671 CA SER A 46 -9.632 6.126 -10.426 1.00 0.00 C ATOM 672 C SER A 46 -8.622 5.179 -11.074 1.00 0.00 C ATOM 673 O SER A 46 -8.316 4.127 -10.547 1.00 0.00 O ATOM 674 CB SER A 46 -9.442 6.126 -8.911 1.00 0.00 C ATOM 675 OG SER A 46 -9.963 7.335 -8.372 1.00 0.00 O ATOM 0 H SER A 46 -11.195 4.681 -10.573 1.00 0.00 H new ATOM 0 HA SER A 46 -9.478 7.135 -10.809 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.950 5.269 -8.469 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.384 6.031 -8.666 1.00 0.00 H new ATOM 0 HG SER A 46 -10.065 7.243 -7.402 1.00 0.00 H new ATOM 681 N ARG A 47 -8.102 5.542 -12.214 1.00 0.00 N ATOM 682 CA ARG A 47 -7.115 4.661 -12.897 1.00 0.00 C ATOM 683 C ARG A 47 -5.703 5.014 -12.427 1.00 0.00 C ATOM 684 O ARG A 47 -4.745 4.897 -13.165 1.00 0.00 O ATOM 685 CB ARG A 47 -7.215 4.858 -14.410 1.00 0.00 C ATOM 686 CG ARG A 47 -7.803 3.599 -15.048 1.00 0.00 C ATOM 687 CD ARG A 47 -7.533 3.617 -16.554 1.00 0.00 C ATOM 688 NE ARG A 47 -7.012 2.289 -16.981 1.00 0.00 N ATOM 689 CZ ARG A 47 -6.953 1.988 -18.250 1.00 0.00 C ATOM 690 NH1 ARG A 47 -8.051 1.887 -18.948 1.00 0.00 N ATOM 691 NH2 ARG A 47 -5.796 1.787 -18.820 1.00 0.00 N ATOM 0 H ARG A 47 -8.318 6.411 -12.702 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.328 3.620 -12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.843 5.720 -14.635 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.229 5.064 -14.827 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.360 2.710 -14.599 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.876 3.550 -14.861 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.449 3.851 -17.096 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.811 4.397 -16.796 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.701 1.614 -16.282 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.955 2.043 -18.502 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.005 1.652 -19.939 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.938 1.865 -18.274 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.750 1.552 -19.811 1.00 0.00 H new ATOM 705 N GLU A 48 -5.566 5.443 -11.202 1.00 0.00 N ATOM 706 CA GLU A 48 -4.216 5.797 -10.684 1.00 0.00 C ATOM 707 C GLU A 48 -3.544 4.540 -10.134 1.00 0.00 C ATOM 708 O GLU A 48 -3.062 4.516 -9.018 1.00 0.00 O ATOM 709 CB GLU A 48 -4.351 6.834 -9.567 1.00 0.00 C ATOM 710 CG GLU A 48 -4.984 8.108 -10.128 1.00 0.00 C ATOM 711 CD GLU A 48 -6.408 8.252 -9.588 1.00 0.00 C ATOM 712 OE1 GLU A 48 -6.606 7.976 -8.415 1.00 0.00 O ATOM 713 OE2 GLU A 48 -7.277 8.633 -10.354 1.00 0.00 O ATOM 0 H GLU A 48 -6.331 5.563 -10.538 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.612 6.213 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.964 6.436 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.372 7.058 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.388 8.977 -9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.999 8.070 -11.217 1.00 0.00 H new ATOM 720 N THR A 49 -3.516 3.490 -10.908 1.00 0.00 N ATOM 721 CA THR A 49 -2.883 2.228 -10.430 1.00 0.00 C ATOM 722 C THR A 49 -1.524 2.052 -11.113 1.00 0.00 C ATOM 723 O THR A 49 -1.418 2.077 -12.323 1.00 0.00 O ATOM 724 CB THR A 49 -3.784 1.030 -10.767 1.00 0.00 C ATOM 725 OG1 THR A 49 -3.303 0.391 -11.940 1.00 0.00 O ATOM 726 CG2 THR A 49 -5.224 1.501 -10.997 1.00 0.00 C ATOM 0 H THR A 49 -3.904 3.451 -11.851 1.00 0.00 H new ATOM 0 HA THR A 49 -2.748 2.281 -9.350 1.00 0.00 H new ATOM 0 HB THR A 49 -3.768 0.328 -9.933 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.080 -0.541 -11.737 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.854 0.644 -11.235 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.597 1.986 -10.095 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.247 2.209 -11.825 1.00 0.00 H new ATOM 734 N ARG A 50 -0.483 1.875 -10.345 1.00 0.00 N ATOM 735 CA ARG A 50 0.868 1.699 -10.948 1.00 0.00 C ATOM 736 C ARG A 50 1.827 1.140 -9.896 1.00 0.00 C ATOM 737 O ARG A 50 1.414 0.649 -8.864 1.00 0.00 O ATOM 738 CB ARG A 50 1.384 3.051 -11.444 1.00 0.00 C ATOM 739 CG ARG A 50 1.884 2.910 -12.883 1.00 0.00 C ATOM 740 CD ARG A 50 2.879 4.030 -13.190 1.00 0.00 C ATOM 741 NE ARG A 50 2.626 4.557 -14.560 1.00 0.00 N ATOM 742 CZ ARG A 50 3.226 4.022 -15.587 1.00 0.00 C ATOM 743 NH1 ARG A 50 4.508 3.785 -15.543 1.00 0.00 N ATOM 744 NH2 ARG A 50 2.543 3.722 -16.658 1.00 0.00 N ATOM 0 H ARG A 50 -0.510 1.845 -9.326 1.00 0.00 H new ATOM 0 HA ARG A 50 0.805 1.005 -11.786 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.589 3.796 -11.395 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.190 3.403 -10.800 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.360 1.939 -13.020 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.045 2.955 -13.577 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.780 4.830 -12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.900 3.655 -13.116 1.00 0.00 H new ATOM 0 HE ARG A 50 1.983 5.337 -14.695 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.041 4.018 -14.705 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.977 3.367 -16.346 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.540 3.906 -16.692 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.012 3.304 -17.461 1.00 0.00 H new ATOM 758 N ALA A 51 3.106 1.210 -10.146 1.00 0.00 N ATOM 759 CA ALA A 51 4.088 0.682 -9.157 1.00 0.00 C ATOM 760 C ALA A 51 4.254 1.695 -8.018 1.00 0.00 C ATOM 761 O ALA A 51 4.318 2.885 -8.258 1.00 0.00 O ATOM 762 CB ALA A 51 5.432 0.463 -9.846 1.00 0.00 C ATOM 0 H ALA A 51 3.513 1.610 -10.992 1.00 0.00 H new ATOM 0 HA ALA A 51 3.729 -0.265 -8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.152 0.077 -9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.312 -0.254 -10.658 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.793 1.410 -10.248 1.00 0.00 H new ATOM 768 N PRO A 52 4.300 1.198 -6.806 1.00 0.00 N ATOM 769 CA PRO A 52 4.432 2.044 -5.631 1.00 0.00 C ATOM 770 C PRO A 52 5.891 2.452 -5.377 1.00 0.00 C ATOM 771 O PRO A 52 6.750 1.619 -5.156 1.00 0.00 O ATOM 772 CB PRO A 52 3.943 1.167 -4.487 1.00 0.00 C ATOM 773 CG PRO A 52 4.264 -0.284 -4.973 1.00 0.00 C ATOM 774 CD PRO A 52 4.208 -0.245 -6.529 1.00 0.00 C ATOM 0 HA PRO A 52 3.872 2.973 -5.744 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.457 1.401 -3.555 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.877 1.302 -4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.248 -0.601 -4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.541 -0.996 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.031 -0.800 -6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.284 -0.676 -6.914 1.00 0.00 H new ATOM 782 N LEU A 53 6.167 3.729 -5.371 1.00 0.00 N ATOM 783 CA LEU A 53 7.554 4.190 -5.082 1.00 0.00 C ATOM 784 C LEU A 53 8.071 3.415 -3.865 1.00 0.00 C ATOM 785 O LEU A 53 7.390 3.304 -2.866 1.00 0.00 O ATOM 786 CB LEU A 53 7.528 5.682 -4.753 1.00 0.00 C ATOM 787 CG LEU A 53 8.641 6.403 -5.517 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.924 5.576 -5.492 1.00 0.00 C ATOM 789 CD2 LEU A 53 8.212 6.625 -6.968 1.00 0.00 C ATOM 0 H LEU A 53 5.492 4.471 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 53 8.199 4.020 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.559 6.105 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.657 5.829 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 53 8.826 7.364 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.706 6.102 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.241 5.427 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.742 4.608 -5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.007 7.139 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.015 5.663 -7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.307 7.232 -6.991 1.00 0.00 H new ATOM 801 N VAL A 54 9.255 2.874 -3.929 1.00 0.00 N ATOM 802 CA VAL A 54 9.779 2.110 -2.763 1.00 0.00 C ATOM 803 C VAL A 54 9.694 2.981 -1.507 1.00 0.00 C ATOM 804 O VAL A 54 9.574 2.484 -0.404 1.00 0.00 O ATOM 805 CB VAL A 54 11.235 1.727 -3.022 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.835 1.105 -1.761 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.299 0.714 -4.168 1.00 0.00 C ATOM 0 H VAL A 54 9.880 2.927 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 54 9.186 1.207 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 54 11.801 2.619 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.874 0.833 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.790 1.825 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.269 0.213 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.337 0.440 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.731 -0.177 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.874 1.156 -5.069 1.00 0.00 H new ATOM 817 N GLU A 55 9.752 4.275 -1.664 1.00 0.00 N ATOM 818 CA GLU A 55 9.669 5.173 -0.478 1.00 0.00 C ATOM 819 C GLU A 55 8.241 5.159 0.069 1.00 0.00 C ATOM 820 O GLU A 55 8.023 5.066 1.260 1.00 0.00 O ATOM 821 CB GLU A 55 10.050 6.598 -0.885 1.00 0.00 C ATOM 822 CG GLU A 55 9.143 7.068 -2.025 1.00 0.00 C ATOM 823 CD GLU A 55 9.536 8.487 -2.438 1.00 0.00 C ATOM 824 OE1 GLU A 55 10.723 8.744 -2.545 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.642 9.292 -2.642 1.00 0.00 O ATOM 0 H GLU A 55 9.853 4.749 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 55 10.357 4.824 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.954 7.268 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.093 6.630 -1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.231 6.393 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.101 7.046 -1.707 1.00 0.00 H new ATOM 832 N GLU A 56 7.264 5.244 -0.793 1.00 0.00 N ATOM 833 CA GLU A 56 5.852 5.227 -0.319 1.00 0.00 C ATOM 834 C GLU A 56 5.568 3.886 0.358 1.00 0.00 C ATOM 835 O GLU A 56 4.840 3.808 1.327 1.00 0.00 O ATOM 836 CB GLU A 56 4.909 5.408 -1.512 1.00 0.00 C ATOM 837 CG GLU A 56 4.587 6.893 -1.689 1.00 0.00 C ATOM 838 CD GLU A 56 5.871 7.661 -2.005 1.00 0.00 C ATOM 839 OE1 GLU A 56 6.422 7.441 -3.071 1.00 0.00 O ATOM 840 OE2 GLU A 56 6.282 8.456 -1.177 1.00 0.00 O ATOM 0 H GLU A 56 7.383 5.324 -1.803 1.00 0.00 H new ATOM 0 HA GLU A 56 5.693 6.038 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.372 5.015 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.991 4.843 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.864 7.026 -2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.129 7.287 -0.782 1.00 0.00 H new ATOM 847 N LEU A 57 6.145 2.830 -0.146 1.00 0.00 N ATOM 848 CA LEU A 57 5.920 1.491 0.464 1.00 0.00 C ATOM 849 C LEU A 57 6.574 1.455 1.847 1.00 0.00 C ATOM 850 O LEU A 57 6.102 0.793 2.750 1.00 0.00 O ATOM 851 CB LEU A 57 6.540 0.416 -0.429 1.00 0.00 C ATOM 852 CG LEU A 57 6.095 -0.972 0.038 1.00 0.00 C ATOM 853 CD1 LEU A 57 4.594 -0.970 0.341 1.00 0.00 C ATOM 854 CD2 LEU A 57 6.380 -1.984 -1.067 1.00 0.00 C ATOM 0 H LEU A 57 6.764 2.838 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 57 4.851 1.303 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.240 0.574 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.627 0.488 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 57 6.642 -1.238 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.288 -1.962 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.382 -0.244 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.041 -0.702 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.066 -2.976 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.830 -1.706 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.448 -1.995 -1.284 1.00 0.00 H new ATOM 866 N TYR A 58 7.654 2.169 2.019 1.00 0.00 N ATOM 867 CA TYR A 58 8.334 2.182 3.344 1.00 0.00 C ATOM 868 C TYR A 58 7.465 2.944 4.346 1.00 0.00 C ATOM 869 O TYR A 58 7.290 2.527 5.474 1.00 0.00 O ATOM 870 CB TYR A 58 9.692 2.873 3.216 1.00 0.00 C ATOM 871 CG TYR A 58 10.552 2.521 4.408 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.232 3.026 5.674 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.666 1.690 4.246 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.028 2.698 6.778 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.462 1.363 5.350 1.00 0.00 C ATOM 876 CZ TYR A 58 12.144 1.868 6.616 1.00 0.00 C ATOM 877 OH TYR A 58 12.928 1.546 7.705 1.00 0.00 O ATOM 0 H TYR A 58 8.094 2.743 1.299 1.00 0.00 H new ATOM 0 HA TYR A 58 8.482 1.159 3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.184 2.562 2.295 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.558 3.953 3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.372 3.668 5.799 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.912 1.301 3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.781 3.085 7.755 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.321 0.721 5.225 1.00 0.00 H new ATOM 0 HH TYR A 58 13.660 0.961 7.419 1.00 0.00 H new ATOM 887 N ARG A 59 6.914 4.056 3.940 1.00 0.00 N ATOM 888 CA ARG A 59 6.051 4.841 4.865 1.00 0.00 C ATOM 889 C ARG A 59 4.814 4.014 5.220 1.00 0.00 C ATOM 890 O ARG A 59 4.234 4.164 6.277 1.00 0.00 O ATOM 891 CB ARG A 59 5.618 6.140 4.183 1.00 0.00 C ATOM 892 CG ARG A 59 4.601 6.868 5.063 1.00 0.00 C ATOM 893 CD ARG A 59 3.370 7.226 4.229 1.00 0.00 C ATOM 894 NE ARG A 59 2.165 7.246 5.106 1.00 0.00 N ATOM 895 CZ ARG A 59 1.756 8.369 5.628 1.00 0.00 C ATOM 896 NH1 ARG A 59 2.606 9.157 6.227 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.497 8.705 5.551 1.00 0.00 N ATOM 0 H ARG A 59 7.025 4.454 3.007 1.00 0.00 H new ATOM 0 HA ARG A 59 6.607 5.079 5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.485 6.777 4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.181 5.923 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.313 6.236 5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.046 7.771 5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.507 8.200 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.237 6.500 3.427 1.00 0.00 H new ATOM 0 HE ARG A 59 1.660 6.381 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.590 8.895 6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.287 10.035 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.167 8.089 5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.178 9.583 5.959 1.00 0.00 H new ATOM 911 N PHE A 60 4.411 3.136 4.343 1.00 0.00 N ATOM 912 CA PHE A 60 3.217 2.292 4.625 1.00 0.00 C ATOM 913 C PHE A 60 3.674 0.966 5.230 1.00 0.00 C ATOM 914 O PHE A 60 2.989 -0.034 5.154 1.00 0.00 O ATOM 915 CB PHE A 60 2.457 2.027 3.323 1.00 0.00 C ATOM 916 CG PHE A 60 1.540 3.190 3.031 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.067 4.389 2.535 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.163 3.070 3.254 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.217 5.468 2.264 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.687 4.150 2.983 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.160 5.348 2.487 1.00 0.00 C ATOM 0 H PHE A 60 4.858 2.967 3.442 1.00 0.00 H new ATOM 0 HA PHE A 60 2.560 2.808 5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.159 1.888 2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.879 1.107 3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.129 4.481 2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.244 2.145 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.624 6.393 1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.749 4.058 3.157 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.816 6.180 2.276 1.00 0.00 H new ATOM 931 N ARG A 61 4.833 0.951 5.830 1.00 0.00 N ATOM 932 CA ARG A 61 5.343 -0.308 6.442 1.00 0.00 C ATOM 933 C ARG A 61 4.429 -0.718 7.598 1.00 0.00 C ATOM 934 O ARG A 61 4.204 -1.888 7.840 1.00 0.00 O ATOM 935 CB ARG A 61 6.761 -0.080 6.969 1.00 0.00 C ATOM 936 CG ARG A 61 7.746 -0.938 6.170 1.00 0.00 C ATOM 937 CD ARG A 61 8.205 -2.120 7.026 1.00 0.00 C ATOM 938 NE ARG A 61 9.564 -2.549 6.592 1.00 0.00 N ATOM 939 CZ ARG A 61 10.344 -3.185 7.422 1.00 0.00 C ATOM 940 NH1 ARG A 61 9.855 -3.681 8.526 1.00 0.00 N ATOM 941 NH2 ARG A 61 11.612 -3.325 7.149 1.00 0.00 N ATOM 0 H ARG A 61 5.450 1.758 5.923 1.00 0.00 H new ATOM 0 HA ARG A 61 5.357 -1.098 5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.027 0.974 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.813 -0.337 8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.273 -1.299 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.605 -0.339 5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.220 -1.836 8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.502 -2.948 6.929 1.00 0.00 H new ATOM 0 HE ARG A 61 9.885 -2.345 5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.864 -3.571 8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.464 -4.178 9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.994 -2.937 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.222 -3.822 7.798 1.00 0.00 H new ATOM 955 N ASP A 62 3.900 0.237 8.315 1.00 0.00 N ATOM 956 CA ASP A 62 3.000 -0.096 9.457 1.00 0.00 C ATOM 957 C ASP A 62 1.769 -0.847 8.941 1.00 0.00 C ATOM 958 O ASP A 62 1.010 -1.410 9.704 1.00 0.00 O ATOM 959 CB ASP A 62 2.556 1.195 10.147 1.00 0.00 C ATOM 960 CG ASP A 62 3.545 1.543 11.262 1.00 0.00 C ATOM 961 OD1 ASP A 62 4.727 1.635 10.973 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.102 1.712 12.387 1.00 0.00 O ATOM 0 H ASP A 62 4.052 1.233 8.159 1.00 0.00 H new ATOM 0 HA ASP A 62 3.535 -0.725 10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.506 2.008 9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.554 1.074 10.559 1.00 0.00 H new ATOM 967 N ARG A 63 1.568 -0.862 7.652 1.00 0.00 N ATOM 968 CA ARG A 63 0.390 -1.579 7.090 1.00 0.00 C ATOM 969 C ARG A 63 0.880 -2.718 6.198 1.00 0.00 C ATOM 970 O ARG A 63 0.145 -3.628 5.869 1.00 0.00 O ATOM 971 CB ARG A 63 -0.451 -0.606 6.259 1.00 0.00 C ATOM 972 CG ARG A 63 -1.820 -0.422 6.915 1.00 0.00 C ATOM 973 CD ARG A 63 -2.468 0.860 6.391 1.00 0.00 C ATOM 974 NE ARG A 63 -2.580 1.850 7.499 1.00 0.00 N ATOM 975 CZ ARG A 63 -3.336 1.593 8.531 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.476 0.979 8.367 1.00 0.00 N ATOM 977 NH2 ARG A 63 -2.954 1.950 9.726 1.00 0.00 N ATOM 0 H ARG A 63 2.169 -0.408 6.964 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.218 -1.980 7.900 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.058 0.355 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.571 -0.987 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.457 -1.279 6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.712 -0.371 7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.873 1.275 5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.455 0.641 5.984 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.065 2.729 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.775 0.700 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.067 0.778 9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.064 2.431 9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.546 1.749 10.532 1.00 0.00 H new ATOM 991 N LEU A 64 2.122 -2.670 5.805 1.00 0.00 N ATOM 992 CA LEU A 64 2.680 -3.739 4.935 1.00 0.00 C ATOM 993 C LEU A 64 2.455 -5.109 5.583 1.00 0.00 C ATOM 994 O LEU A 64 3.093 -5.434 6.564 1.00 0.00 O ATOM 995 CB LEU A 64 4.180 -3.506 4.772 1.00 0.00 C ATOM 996 CG LEU A 64 4.626 -3.985 3.393 1.00 0.00 C ATOM 997 CD1 LEU A 64 6.099 -3.632 3.192 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.446 -5.501 3.297 1.00 0.00 C ATOM 0 H LEU A 64 2.779 -1.930 6.052 1.00 0.00 H new ATOM 0 HA LEU A 64 2.184 -3.715 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.409 -2.447 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.728 -4.040 5.548 1.00 0.00 H new ATOM 0 HG LEU A 64 4.025 -3.501 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.424 -3.972 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.227 -2.552 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.698 -4.120 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.764 -5.844 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.049 -5.988 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.396 -5.753 3.447 1.00 0.00 H new ATOM 1010 N PRO A 65 1.562 -5.882 5.014 1.00 0.00 N ATOM 1011 CA PRO A 65 1.267 -7.208 5.529 1.00 0.00 C ATOM 1012 C PRO A 65 2.567 -7.996 5.703 1.00 0.00 C ATOM 1013 O PRO A 65 3.017 -8.232 6.806 1.00 0.00 O ATOM 1014 CB PRO A 65 0.378 -7.846 4.464 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.267 -6.619 3.746 1.00 0.00 C ATOM 1016 CD PRO A 65 0.792 -5.483 3.826 1.00 0.00 C ATOM 0 HA PRO A 65 0.779 -7.187 6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.957 -8.458 3.772 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.378 -8.495 4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.511 -6.855 2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.196 -6.324 4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.413 -5.437 2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.333 -4.502 3.946 1.00 0.00 H new ATOM 1024 N GLU A 66 3.173 -8.397 4.620 1.00 0.00 N ATOM 1025 CA GLU A 66 4.442 -9.166 4.707 1.00 0.00 C ATOM 1026 C GLU A 66 4.873 -9.582 3.300 1.00 0.00 C ATOM 1027 O GLU A 66 6.044 -9.714 3.010 1.00 0.00 O ATOM 1028 CB GLU A 66 4.211 -10.416 5.549 1.00 0.00 C ATOM 1029 CG GLU A 66 5.539 -10.891 6.142 1.00 0.00 C ATOM 1030 CD GLU A 66 6.044 -9.860 7.153 1.00 0.00 C ATOM 1031 OE1 GLU A 66 5.584 -9.891 8.282 1.00 0.00 O ATOM 1032 OE2 GLU A 66 6.884 -9.056 6.779 1.00 0.00 O ATOM 0 H GLU A 66 2.839 -8.223 3.672 1.00 0.00 H new ATOM 0 HA GLU A 66 5.217 -8.551 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.501 -10.202 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.773 -11.204 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.408 -11.858 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.275 -11.030 5.350 1.00 0.00 H new ATOM 1039 N LYS A 67 3.929 -9.788 2.422 1.00 0.00 N ATOM 1040 CA LYS A 67 4.273 -10.205 1.030 1.00 0.00 C ATOM 1041 C LYS A 67 4.886 -9.038 0.242 1.00 0.00 C ATOM 1042 O LYS A 67 5.069 -9.125 -0.955 1.00 0.00 O ATOM 1043 CB LYS A 67 3.007 -10.682 0.319 1.00 0.00 C ATOM 1044 CG LYS A 67 3.390 -11.472 -0.933 1.00 0.00 C ATOM 1045 CD LYS A 67 2.133 -12.076 -1.563 1.00 0.00 C ATOM 1046 CE LYS A 67 1.902 -11.456 -2.942 1.00 0.00 C ATOM 1047 NZ LYS A 67 1.896 -12.530 -3.974 1.00 0.00 N ATOM 0 H LYS A 67 2.931 -9.685 2.608 1.00 0.00 H new ATOM 0 HA LYS A 67 5.005 -11.011 1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.415 -11.306 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.387 -9.828 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.890 -10.819 -1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.095 -12.262 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.242 -13.157 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.270 -11.895 -0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.954 -10.918 -2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.685 -10.730 -3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.739 -12.109 -4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.811 -13.025 -3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.134 -13.207 -3.766 1.00 0.00 H new ATOM 1061 N LEU A 68 5.210 -7.950 0.889 1.00 0.00 N ATOM 1062 CA LEU A 68 5.810 -6.802 0.151 1.00 0.00 C ATOM 1063 C LEU A 68 6.928 -6.184 0.994 1.00 0.00 C ATOM 1064 O LEU A 68 7.456 -5.141 0.668 1.00 0.00 O ATOM 1065 CB LEU A 68 4.741 -5.739 -0.127 1.00 0.00 C ATOM 1066 CG LEU A 68 3.359 -6.393 -0.193 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.761 -6.458 1.213 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.446 -5.561 -1.096 1.00 0.00 C ATOM 0 H LEU A 68 5.086 -7.807 1.891 1.00 0.00 H new ATOM 0 HA LEU A 68 6.214 -7.160 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.757 -4.981 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.957 -5.231 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 68 3.451 -7.401 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.776 -6.924 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.412 -7.047 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.668 -5.449 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.461 -6.025 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.353 -4.554 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.873 -5.511 -2.098 1.00 0.00 H new ATOM 1080 N ARG A 69 7.289 -6.816 2.077 1.00 0.00 N ATOM 1081 CA ARG A 69 8.368 -6.258 2.941 1.00 0.00 C ATOM 1082 C ARG A 69 9.608 -5.960 2.094 1.00 0.00 C ATOM 1083 O ARG A 69 10.053 -4.832 2.005 1.00 0.00 O ATOM 1084 CB ARG A 69 8.726 -7.275 4.026 1.00 0.00 C ATOM 1085 CG ARG A 69 9.309 -6.545 5.238 1.00 0.00 C ATOM 1086 CD ARG A 69 8.178 -6.149 6.189 1.00 0.00 C ATOM 1087 NE ARG A 69 8.592 -6.421 7.594 1.00 0.00 N ATOM 1088 CZ ARG A 69 7.698 -6.445 8.545 1.00 0.00 C ATOM 1089 NH1 ARG A 69 6.530 -5.894 8.356 1.00 0.00 N ATOM 1090 NH2 ARG A 69 7.972 -7.018 9.684 1.00 0.00 N ATOM 0 H ARG A 69 6.884 -7.694 2.401 1.00 0.00 H new ATOM 0 HA ARG A 69 8.018 -5.335 3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.839 -7.837 4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.447 -7.995 3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.023 -7.187 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.853 -5.658 4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.939 -5.092 6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.274 -6.710 5.950 1.00 0.00 H new ATOM 0 HE ARG A 69 9.574 -6.588 7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.316 -5.445 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.831 -5.913 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.885 -7.448 9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.273 -7.036 10.427 1.00 0.00 H new ATOM 1104 N TYR A 70 10.174 -6.961 1.478 1.00 0.00 N ATOM 1105 CA TYR A 70 11.389 -6.733 0.645 1.00 0.00 C ATOM 1106 C TYR A 70 11.170 -5.536 -0.281 1.00 0.00 C ATOM 1107 O TYR A 70 12.082 -4.781 -0.560 1.00 0.00 O ATOM 1108 CB TYR A 70 11.672 -7.974 -0.200 1.00 0.00 C ATOM 1109 CG TYR A 70 10.374 -8.548 -0.714 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.786 -8.023 -1.870 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.761 -9.610 -0.037 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.585 -8.559 -2.351 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.560 -10.145 -0.517 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.972 -9.620 -1.674 1.00 0.00 C ATOM 1115 OH TYR A 70 6.790 -10.149 -2.149 1.00 0.00 O ATOM 0 H TYR A 70 9.848 -7.927 1.515 1.00 0.00 H new ATOM 0 HA TYR A 70 12.236 -6.533 1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.323 -7.716 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.199 -8.719 0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.259 -7.204 -2.392 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.215 -10.016 0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.132 -8.154 -3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.087 -10.963 0.005 1.00 0.00 H new ATOM 0 HH TYR A 70 6.116 -10.135 -1.438 1.00 0.00 H new ATOM 1125 N LEU A 71 9.972 -5.358 -0.764 1.00 0.00 N ATOM 1126 CA LEU A 71 9.703 -4.212 -1.676 1.00 0.00 C ATOM 1127 C LEU A 71 9.873 -2.899 -0.909 1.00 0.00 C ATOM 1128 O LEU A 71 10.498 -1.970 -1.381 1.00 0.00 O ATOM 1129 CB LEU A 71 8.274 -4.319 -2.214 1.00 0.00 C ATOM 1130 CG LEU A 71 8.287 -5.076 -3.542 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.927 -5.740 -3.766 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.566 -4.093 -4.679 1.00 0.00 C ATOM 0 H LEU A 71 9.169 -5.955 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 71 10.405 -4.232 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.640 -4.837 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.851 -3.324 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 71 9.063 -5.841 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.937 -6.280 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.724 -6.437 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.149 -4.977 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.576 -4.628 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.787 -3.331 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.534 -3.618 -4.520 1.00 0.00 H new ATOM 1144 N ALA A 72 9.330 -2.816 0.275 1.00 0.00 N ATOM 1145 CA ALA A 72 9.467 -1.565 1.072 1.00 0.00 C ATOM 1146 C ALA A 72 10.906 -1.437 1.574 1.00 0.00 C ATOM 1147 O ALA A 72 11.295 -0.423 2.120 1.00 0.00 O ATOM 1148 CB ALA A 72 8.513 -1.619 2.268 1.00 0.00 C ATOM 0 H ALA A 72 8.797 -3.561 0.724 1.00 0.00 H new ATOM 0 HA ALA A 72 9.222 -0.706 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.611 -0.705 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.487 -1.713 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.760 -2.478 2.892 1.00 0.00 H new ATOM 1154 N ASP A 73 11.700 -2.458 1.398 1.00 0.00 N ATOM 1155 CA ASP A 73 13.113 -2.394 1.868 1.00 0.00 C ATOM 1156 C ASP A 73 14.020 -1.965 0.713 1.00 0.00 C ATOM 1157 O ASP A 73 15.137 -1.533 0.916 1.00 0.00 O ATOM 1158 CB ASP A 73 13.547 -3.773 2.370 1.00 0.00 C ATOM 1159 CG ASP A 73 13.346 -3.851 3.884 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.964 -3.066 4.585 1.00 0.00 O ATOM 1161 OD2 ASP A 73 12.579 -4.696 4.318 1.00 0.00 O ATOM 0 H ASP A 73 11.431 -3.334 0.949 1.00 0.00 H new ATOM 0 HA ASP A 73 13.191 -1.669 2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.966 -4.551 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.594 -3.949 2.122 1.00 0.00 H new ATOM 1166 N ALA A 74 13.551 -2.083 -0.498 1.00 0.00 N ATOM 1167 CA ALA A 74 14.390 -1.686 -1.664 1.00 0.00 C ATOM 1168 C ALA A 74 14.970 -0.285 -1.430 1.00 0.00 C ATOM 1169 O ALA A 74 14.458 0.469 -0.626 1.00 0.00 O ATOM 1170 CB ALA A 74 13.532 -1.679 -2.931 1.00 0.00 C ATOM 0 H ALA A 74 12.623 -2.437 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 74 15.206 -2.399 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.145 -1.389 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.124 -2.676 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.715 -0.968 -2.813 1.00 0.00 H new ATOM 1176 N PRO A 75 16.023 0.018 -2.147 1.00 0.00 N ATOM 1177 CA PRO A 75 16.689 1.310 -2.044 1.00 0.00 C ATOM 1178 C PRO A 75 15.667 2.451 -2.073 1.00 0.00 C ATOM 1179 O PRO A 75 15.510 3.171 -1.109 1.00 0.00 O ATOM 1180 CB PRO A 75 17.598 1.363 -3.265 1.00 0.00 C ATOM 1181 CG PRO A 75 17.887 -0.141 -3.570 1.00 0.00 C ATOM 1182 CD PRO A 75 16.620 -0.919 -3.113 1.00 0.00 C ATOM 0 HA PRO A 75 17.241 1.422 -1.111 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.112 1.857 -4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.515 1.914 -3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.078 -0.295 -4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.771 -0.485 -3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.949 -1.131 -3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.871 -1.875 -2.654 1.00 0.00 H new ATOM 1190 N GLN A 76 14.976 2.616 -3.174 1.00 0.00 N ATOM 1191 CA GLN A 76 13.957 3.707 -3.286 1.00 0.00 C ATOM 1192 C GLN A 76 14.640 5.018 -3.704 1.00 0.00 C ATOM 1193 O GLN A 76 14.181 6.097 -3.387 1.00 0.00 O ATOM 1194 CB GLN A 76 13.207 3.871 -1.944 1.00 0.00 C ATOM 1195 CG GLN A 76 13.785 5.028 -1.116 1.00 0.00 C ATOM 1196 CD GLN A 76 13.617 4.722 0.374 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.575 4.047 0.776 1.00 0.00 O flip ATOM 1198 NE2 GLN A 76 14.443 5.101 1.181 1.00 0.00 N flip ATOM 0 H GLN A 76 15.075 2.037 -4.008 1.00 0.00 H new ATOM 0 HA GLN A 76 13.227 3.444 -4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.150 4.052 -2.136 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.273 2.945 -1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.840 5.168 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.276 5.959 -1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 76 15.258 5.629 0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.322 4.891 2.172 1.00 0.00 H new ATOM 1207 N GLN A 77 15.720 4.925 -4.435 1.00 0.00 N ATOM 1208 CA GLN A 77 16.430 6.155 -4.893 1.00 0.00 C ATOM 1209 C GLN A 77 17.873 5.804 -5.258 1.00 0.00 C ATOM 1210 O GLN A 77 18.527 6.515 -5.996 1.00 0.00 O ATOM 1211 CB GLN A 77 16.434 7.202 -3.777 1.00 0.00 C ATOM 1212 CG GLN A 77 16.667 6.514 -2.430 1.00 0.00 C ATOM 1213 CD GLN A 77 17.921 7.090 -1.772 1.00 0.00 C ATOM 1214 OE1 GLN A 77 18.827 7.535 -2.449 1.00 0.00 O ATOM 1215 NE2 GLN A 77 18.012 7.103 -0.471 1.00 0.00 N ATOM 0 H GLN A 77 16.142 4.046 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 77 15.916 6.559 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.215 7.940 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.485 7.738 -3.764 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.803 6.660 -1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.780 5.439 -2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.252 6.730 0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.843 7.487 -0.022 1.00 0.00 H new ATOM 1224 N ASP A 78 18.375 4.714 -4.744 1.00 0.00 N ATOM 1225 CA ASP A 78 19.777 4.312 -5.057 1.00 0.00 C ATOM 1226 C ASP A 78 20.752 5.148 -4.218 1.00 0.00 C ATOM 1227 O ASP A 78 20.373 6.148 -3.642 1.00 0.00 O ATOM 1228 CB ASP A 78 20.058 4.540 -6.545 1.00 0.00 C ATOM 1229 CG ASP A 78 18.823 4.156 -7.362 1.00 0.00 C ATOM 1230 OD1 ASP A 78 17.950 3.506 -6.811 1.00 0.00 O ATOM 1231 OD2 ASP A 78 18.773 4.518 -8.526 1.00 0.00 O ATOM 0 H ASP A 78 17.874 4.083 -4.119 1.00 0.00 H new ATOM 0 HA ASP A 78 19.909 3.256 -4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 78 20.314 5.585 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.915 3.944 -6.860 1.00 0.00 H new ATOM 1236 N PRO A 79 21.986 4.705 -4.173 1.00 0.00 N ATOM 1237 CA PRO A 79 23.034 5.382 -3.417 1.00 0.00 C ATOM 1238 C PRO A 79 23.129 6.864 -3.808 1.00 0.00 C ATOM 1239 O PRO A 79 23.742 7.654 -3.119 1.00 0.00 O ATOM 1240 CB PRO A 79 24.317 4.650 -3.800 1.00 0.00 C ATOM 1241 CG PRO A 79 23.814 3.243 -4.245 1.00 0.00 C ATOM 1242 CD PRO A 79 22.414 3.484 -4.876 1.00 0.00 C ATOM 0 HA PRO A 79 22.841 5.360 -2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.845 5.161 -4.605 1.00 0.00 H new ATOM 0 HB3 PRO A 79 25.007 4.582 -2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.497 2.792 -4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.750 2.562 -3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.469 3.629 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.735 2.649 -4.701 1.00 0.00 H new ATOM 1250 N GLU A 80 22.540 7.249 -4.908 1.00 0.00 N ATOM 1251 CA GLU A 80 22.616 8.677 -5.327 1.00 0.00 C ATOM 1252 C GLU A 80 21.455 9.457 -4.709 1.00 0.00 C ATOM 1253 O GLU A 80 21.650 10.323 -3.879 1.00 0.00 O ATOM 1254 CB GLU A 80 22.534 8.766 -6.853 1.00 0.00 C ATOM 1255 CG GLU A 80 22.882 10.185 -7.302 1.00 0.00 C ATOM 1256 CD GLU A 80 22.950 10.237 -8.829 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.627 9.398 -9.400 1.00 0.00 O ATOM 1258 OE2 GLU A 80 22.323 11.113 -9.402 1.00 0.00 O ATOM 0 H GLU A 80 22.012 6.639 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 80 23.560 9.103 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 80 23.221 8.051 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.531 8.503 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.132 10.887 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 80 23.838 10.489 -6.875 1.00 0.00 H new ATOM 1265 N GLY A 81 20.247 9.159 -5.102 1.00 0.00 N ATOM 1266 CA GLY A 81 19.080 9.888 -4.528 1.00 0.00 C ATOM 1267 C GLY A 81 18.141 10.332 -5.652 1.00 0.00 C ATOM 1268 O GLY A 81 17.513 11.369 -5.574 1.00 0.00 O ATOM 0 H GLY A 81 20.018 8.445 -5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.546 9.245 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.423 10.756 -3.965 1.00 0.00 H new ATOM 1272 N ASN A 82 18.034 9.555 -6.695 1.00 0.00 N ATOM 1273 CA ASN A 82 17.128 9.934 -7.817 1.00 0.00 C ATOM 1274 C ASN A 82 15.764 9.281 -7.596 1.00 0.00 C ATOM 1275 O ASN A 82 14.958 9.184 -8.499 1.00 0.00 O ATOM 1276 CB ASN A 82 17.709 9.443 -9.150 1.00 0.00 C ATOM 1277 CG ASN A 82 19.221 9.238 -9.024 1.00 0.00 C ATOM 1278 OD1 ASN A 82 19.947 10.158 -8.701 1.00 0.00 O ATOM 1279 ND2 ASN A 82 19.728 8.060 -9.266 1.00 0.00 N ATOM 0 H ASN A 82 18.534 8.675 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 82 17.027 11.019 -7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 82 17.231 8.508 -9.441 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.497 10.167 -9.936 1.00 0.00 H new ATOM 0 HD21 ASN A 82 20.734 7.911 -9.184 1.00 0.00 H new ATOM 0 HD22 ASN A 82 19.118 7.288 -9.537 1.00 0.00 H new ATOM 1286 N LYS A 83 15.507 8.823 -6.401 1.00 0.00 N ATOM 1287 CA LYS A 83 14.208 8.164 -6.117 1.00 0.00 C ATOM 1288 C LYS A 83 14.053 6.948 -7.008 1.00 0.00 C ATOM 1289 O LYS A 83 14.391 6.961 -8.173 1.00 0.00 O ATOM 1290 CB LYS A 83 13.071 9.129 -6.372 1.00 0.00 C ATOM 1291 CG LYS A 83 13.026 10.133 -5.229 1.00 0.00 C ATOM 1292 CD LYS A 83 11.574 10.470 -4.907 1.00 0.00 C ATOM 1293 CE LYS A 83 11.321 11.957 -5.168 1.00 0.00 C ATOM 1294 NZ LYS A 83 10.923 12.625 -3.898 1.00 0.00 N ATOM 0 H LYS A 83 16.146 8.879 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 83 14.184 7.856 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.216 9.643 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.126 8.591 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.519 9.721 -4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.568 11.038 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.905 9.864 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.357 10.231 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.220 12.424 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.537 12.077 -5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.751 13.635 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.054 12.185 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.685 12.522 -3.198 1.00 0.00 H new ATOM 1308 N THR A 84 13.559 5.892 -6.456 1.00 0.00 N ATOM 1309 CA THR A 84 13.388 4.648 -7.248 1.00 0.00 C ATOM 1310 C THR A 84 12.057 3.996 -6.884 1.00 0.00 C ATOM 1311 O THR A 84 11.751 3.782 -5.727 1.00 0.00 O ATOM 1312 CB THR A 84 14.545 3.698 -6.933 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.738 4.453 -6.774 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.730 2.715 -8.080 1.00 0.00 C ATOM 0 H THR A 84 13.262 5.830 -5.482 1.00 0.00 H new ATOM 0 HA THR A 84 13.389 4.877 -8.314 1.00 0.00 H new ATOM 0 HB THR A 84 14.323 3.151 -6.017 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.506 3.914 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.555 2.040 -7.851 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.816 2.137 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.952 3.262 -8.996 1.00 0.00 H new ATOM 1322 N MET A 85 11.254 3.692 -7.864 1.00 0.00 N ATOM 1323 CA MET A 85 9.935 3.070 -7.565 1.00 0.00 C ATOM 1324 C MET A 85 9.961 1.590 -7.941 1.00 0.00 C ATOM 1325 O MET A 85 10.773 1.154 -8.734 1.00 0.00 O ATOM 1326 CB MET A 85 8.838 3.792 -8.349 1.00 0.00 C ATOM 1327 CG MET A 85 8.891 3.365 -9.812 1.00 0.00 C ATOM 1328 SD MET A 85 7.512 4.111 -10.711 1.00 0.00 S ATOM 1329 CE MET A 85 6.725 2.560 -11.200 1.00 0.00 C ATOM 0 H MET A 85 11.452 3.846 -8.853 1.00 0.00 H new ATOM 0 HA MET A 85 9.728 3.158 -6.498 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.861 3.558 -7.926 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.970 4.871 -8.269 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.837 3.672 -10.257 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.842 2.279 -9.886 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.642 2.675 -11.165 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.030 2.301 -12.214 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.028 1.767 -10.517 1.00 0.00 H new ATOM 1339 N VAL A 86 9.084 0.815 -7.371 1.00 0.00 N ATOM 1340 CA VAL A 86 9.061 -0.638 -7.687 1.00 0.00 C ATOM 1341 C VAL A 86 8.599 -0.849 -9.129 1.00 0.00 C ATOM 1342 O VAL A 86 7.923 -0.023 -9.703 1.00 0.00 O ATOM 1343 CB VAL A 86 8.093 -1.345 -6.740 1.00 0.00 C ATOM 1344 CG1 VAL A 86 8.002 -2.825 -7.114 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.599 -1.210 -5.302 1.00 0.00 C ATOM 0 H VAL A 86 8.382 1.125 -6.699 1.00 0.00 H new ATOM 0 HA VAL A 86 10.064 -1.048 -7.566 1.00 0.00 H new ATOM 0 HB VAL A 86 7.106 -0.890 -6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.311 -3.329 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.642 -2.920 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.988 -3.282 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.909 -1.714 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.586 -1.665 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.662 -0.155 -5.036 1.00 0.00 H new ATOM 1355 N ARG A 87 8.951 -1.961 -9.710 1.00 0.00 N ATOM 1356 CA ARG A 87 8.526 -2.252 -11.108 1.00 0.00 C ATOM 1357 C ARG A 87 8.198 -3.740 -11.206 1.00 0.00 C ATOM 1358 O ARG A 87 8.163 -4.439 -10.214 1.00 0.00 O ATOM 1359 CB ARG A 87 9.658 -1.920 -12.081 1.00 0.00 C ATOM 1360 CG ARG A 87 10.294 -0.589 -11.689 1.00 0.00 C ATOM 1361 CD ARG A 87 9.408 0.549 -12.186 1.00 0.00 C ATOM 1362 NE ARG A 87 10.261 1.681 -12.648 1.00 0.00 N ATOM 1363 CZ ARG A 87 10.329 1.970 -13.919 1.00 0.00 C ATOM 1364 NH1 ARG A 87 11.042 1.227 -14.720 1.00 0.00 N ATOM 1365 NH2 ARG A 87 9.684 3.001 -14.389 1.00 0.00 N ATOM 0 H ARG A 87 9.519 -2.687 -9.273 1.00 0.00 H new ATOM 0 HA ARG A 87 7.655 -1.648 -11.363 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.408 -2.711 -12.067 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.272 -1.865 -13.099 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.410 -0.531 -10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.291 -0.506 -12.121 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.775 0.201 -13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.745 0.882 -11.388 1.00 0.00 H new ATOM 0 HE ARG A 87 10.791 2.230 -11.971 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.546 0.420 -14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.095 1.453 -15.713 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.126 3.582 -13.763 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.737 3.227 -15.382 1.00 0.00 H new ATOM 1379 N PHE A 88 7.970 -4.239 -12.386 1.00 0.00 N ATOM 1380 CA PHE A 88 7.661 -5.690 -12.513 1.00 0.00 C ATOM 1381 C PHE A 88 8.274 -6.245 -13.796 1.00 0.00 C ATOM 1382 O PHE A 88 7.960 -5.813 -14.888 1.00 0.00 O ATOM 1383 CB PHE A 88 6.150 -5.910 -12.549 1.00 0.00 C ATOM 1384 CG PHE A 88 5.877 -7.394 -12.620 1.00 0.00 C ATOM 1385 CD1 PHE A 88 5.988 -8.067 -13.842 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.522 -8.095 -11.462 1.00 0.00 C ATOM 1387 CE1 PHE A 88 5.742 -9.445 -13.905 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.278 -9.472 -11.526 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.388 -10.146 -12.747 1.00 0.00 C ATOM 0 H PHE A 88 7.983 -3.713 -13.260 1.00 0.00 H new ATOM 0 HA PHE A 88 8.082 -6.207 -11.651 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.685 -5.483 -11.661 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.715 -5.404 -13.411 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.263 -7.525 -14.735 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.436 -7.574 -10.520 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.826 -9.966 -14.847 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.005 -10.014 -10.633 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.200 -11.208 -12.796 1.00 0.00 H new ATOM 1399 N SER A 89 9.137 -7.213 -13.672 1.00 0.00 N ATOM 1400 CA SER A 89 9.761 -7.814 -14.880 1.00 0.00 C ATOM 1401 C SER A 89 8.999 -9.089 -15.238 1.00 0.00 C ATOM 1402 O SER A 89 8.710 -9.908 -14.387 1.00 0.00 O ATOM 1403 CB SER A 89 11.223 -8.155 -14.587 1.00 0.00 C ATOM 1404 OG SER A 89 11.615 -7.530 -13.371 1.00 0.00 O ATOM 0 H SER A 89 9.437 -7.614 -12.784 1.00 0.00 H new ATOM 0 HA SER A 89 9.721 -7.109 -15.711 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.349 -9.235 -14.512 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.859 -7.816 -15.405 1.00 0.00 H new ATOM 0 HG SER A 89 11.818 -6.586 -13.539 1.00 0.00 H new ATOM 1410 N ARG A 90 8.667 -9.266 -16.486 1.00 0.00 N ATOM 1411 CA ARG A 90 7.919 -10.491 -16.885 1.00 0.00 C ATOM 1412 C ARG A 90 8.915 -11.596 -17.229 1.00 0.00 C ATOM 1413 O ARG A 90 8.571 -12.759 -17.292 1.00 0.00 O ATOM 1414 CB ARG A 90 7.043 -10.191 -18.105 1.00 0.00 C ATOM 1415 CG ARG A 90 6.604 -8.725 -18.076 1.00 0.00 C ATOM 1416 CD ARG A 90 7.516 -7.900 -18.985 1.00 0.00 C ATOM 1417 NE ARG A 90 7.580 -6.497 -18.487 1.00 0.00 N ATOM 1418 CZ ARG A 90 7.310 -5.506 -19.291 1.00 0.00 C ATOM 1419 NH1 ARG A 90 6.072 -5.247 -19.613 1.00 0.00 N ATOM 1420 NH2 ARG A 90 8.276 -4.773 -19.771 1.00 0.00 N ATOM 0 H ARG A 90 8.880 -8.618 -17.245 1.00 0.00 H new ATOM 0 HA ARG A 90 7.282 -10.813 -16.061 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.596 -10.397 -19.021 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.169 -10.843 -18.107 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.569 -8.638 -18.406 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.647 -8.342 -17.056 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.515 -8.335 -19.006 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.139 -7.917 -20.008 1.00 0.00 H new ATOM 0 HE ARG A 90 7.835 -6.312 -17.517 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.317 -5.819 -19.236 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.860 -4.472 -20.242 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.243 -4.975 -19.518 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.064 -3.998 -20.400 1.00 0.00 H new ATOM 1434 N LYS A 91 10.152 -11.243 -17.440 1.00 0.00 N ATOM 1435 CA LYS A 91 11.172 -12.276 -17.767 1.00 0.00 C ATOM 1436 C LYS A 91 11.312 -13.223 -16.575 1.00 0.00 C ATOM 1437 O LYS A 91 11.710 -14.362 -16.717 1.00 0.00 O ATOM 1438 CB LYS A 91 12.516 -11.599 -18.043 1.00 0.00 C ATOM 1439 CG LYS A 91 12.285 -10.304 -18.825 1.00 0.00 C ATOM 1440 CD LYS A 91 12.719 -9.109 -17.975 1.00 0.00 C ATOM 1441 CE LYS A 91 11.872 -7.889 -18.338 1.00 0.00 C ATOM 1442 NZ LYS A 91 12.688 -6.938 -19.143 1.00 0.00 N ATOM 0 H LYS A 91 10.500 -10.285 -17.400 1.00 0.00 H new ATOM 0 HA LYS A 91 10.865 -12.834 -18.651 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.026 -11.383 -17.104 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.163 -12.268 -18.610 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.849 -10.324 -19.757 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.232 -10.211 -19.092 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.605 -9.342 -16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.775 -8.895 -18.142 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.993 -8.199 -18.903 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.513 -7.400 -17.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.111 -6.108 -19.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.514 -6.633 -18.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.010 -7.407 -20.014 1.00 0.00 H new ATOM 1456 N THR A 92 10.983 -12.758 -15.399 1.00 0.00 N ATOM 1457 CA THR A 92 11.093 -13.631 -14.197 1.00 0.00 C ATOM 1458 C THR A 92 9.884 -13.408 -13.287 1.00 0.00 C ATOM 1459 O THR A 92 9.805 -13.951 -12.202 1.00 0.00 O ATOM 1460 CB THR A 92 12.373 -13.285 -13.431 1.00 0.00 C ATOM 1461 OG1 THR A 92 12.459 -11.876 -13.273 1.00 0.00 O ATOM 1462 CG2 THR A 92 13.588 -13.788 -14.209 1.00 0.00 C ATOM 0 H THR A 92 10.644 -11.813 -15.220 1.00 0.00 H new ATOM 0 HA THR A 92 11.124 -14.674 -14.511 1.00 0.00 H new ATOM 0 HB THR A 92 12.351 -13.762 -12.451 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.968 -11.668 -12.462 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.498 -13.541 -13.662 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.520 -14.869 -14.331 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.614 -13.313 -15.190 1.00 0.00 H new ATOM 1470 N LYS A 93 8.939 -12.614 -13.713 1.00 0.00 N ATOM 1471 CA LYS A 93 7.744 -12.360 -12.864 1.00 0.00 C ATOM 1472 C LYS A 93 8.200 -11.961 -11.460 1.00 0.00 C ATOM 1473 O LYS A 93 7.934 -12.647 -10.492 1.00 0.00 O ATOM 1474 CB LYS A 93 6.894 -13.630 -12.785 1.00 0.00 C ATOM 1475 CG LYS A 93 5.937 -13.679 -13.979 1.00 0.00 C ATOM 1476 CD LYS A 93 5.870 -15.107 -14.522 1.00 0.00 C ATOM 1477 CE LYS A 93 4.951 -15.145 -15.744 1.00 0.00 C ATOM 1478 NZ LYS A 93 3.699 -15.878 -15.403 1.00 0.00 N ATOM 0 H LYS A 93 8.944 -12.132 -14.612 1.00 0.00 H new ATOM 0 HA LYS A 93 7.150 -11.556 -13.298 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.536 -14.511 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.330 -13.645 -11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.944 -13.347 -13.676 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.277 -12.998 -14.759 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.868 -15.452 -14.793 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.498 -15.783 -13.752 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.715 -14.131 -16.066 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.456 -15.634 -16.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.074 -15.904 -16.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.933 -16.850 -15.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.215 -15.393 -14.621 1.00 0.00 H new ATOM 1492 N GLN A 94 8.890 -10.858 -11.337 1.00 0.00 N ATOM 1493 CA GLN A 94 9.364 -10.425 -9.992 1.00 0.00 C ATOM 1494 C GLN A 94 9.274 -8.901 -9.874 1.00 0.00 C ATOM 1495 O GLN A 94 8.724 -8.234 -10.728 1.00 0.00 O ATOM 1496 CB GLN A 94 10.818 -10.861 -9.801 1.00 0.00 C ATOM 1497 CG GLN A 94 10.895 -12.388 -9.805 1.00 0.00 C ATOM 1498 CD GLN A 94 12.302 -12.828 -10.215 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.043 -12.065 -10.803 1.00 0.00 O ATOM 1500 NE2 GLN A 94 12.706 -14.035 -9.926 1.00 0.00 N ATOM 0 H GLN A 94 9.145 -10.241 -12.108 1.00 0.00 H new ATOM 0 HA GLN A 94 8.738 -10.883 -9.227 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.439 -10.452 -10.598 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.206 -10.469 -8.861 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.655 -12.777 -8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.159 -12.798 -10.496 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.085 -14.676 -9.433 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.643 -14.337 -10.194 1.00 0.00 H new ATOM 1509 N GLN A 95 9.813 -8.345 -8.821 1.00 0.00 N ATOM 1510 CA GLN A 95 9.757 -6.864 -8.650 1.00 0.00 C ATOM 1511 C GLN A 95 11.146 -6.262 -8.880 1.00 0.00 C ATOM 1512 O GLN A 95 12.142 -6.755 -8.383 1.00 0.00 O ATOM 1513 CB GLN A 95 9.301 -6.517 -7.225 1.00 0.00 C ATOM 1514 CG GLN A 95 7.845 -6.949 -6.985 1.00 0.00 C ATOM 1515 CD GLN A 95 7.035 -6.871 -8.286 1.00 0.00 C ATOM 1516 OE1 GLN A 95 6.720 -7.882 -8.880 1.00 0.00 O ATOM 1517 NE2 GLN A 95 6.684 -5.704 -8.752 1.00 0.00 N ATOM 0 H GLN A 95 10.288 -8.851 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 95 9.050 -6.456 -9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.952 -7.008 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.396 -5.444 -7.061 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.822 -7.967 -6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.390 -6.309 -6.229 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.949 -4.855 -8.253 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.145 -5.641 -9.616 1.00 0.00 H new ATOM 1526 N TYR A 96 11.215 -5.185 -9.615 1.00 0.00 N ATOM 1527 CA TYR A 96 12.530 -4.530 -9.862 1.00 0.00 C ATOM 1528 C TYR A 96 12.353 -3.015 -9.730 1.00 0.00 C ATOM 1529 O TYR A 96 11.500 -2.424 -10.356 1.00 0.00 O ATOM 1530 CB TYR A 96 13.051 -4.907 -11.256 1.00 0.00 C ATOM 1531 CG TYR A 96 12.381 -4.078 -12.328 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.845 -2.788 -12.609 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.310 -4.610 -13.057 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.239 -2.029 -13.617 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.701 -3.851 -14.064 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.167 -2.561 -14.345 1.00 0.00 C ATOM 1537 OH TYR A 96 10.569 -1.813 -15.339 1.00 0.00 O ATOM 0 H TYR A 96 10.415 -4.730 -10.056 1.00 0.00 H new ATOM 0 HA TYR A 96 13.264 -4.869 -9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.130 -4.758 -11.297 1.00 0.00 H new ATOM 0 HB3 TYR A 96 12.868 -5.965 -11.442 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.671 -2.378 -12.048 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.953 -5.607 -12.842 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.598 -1.034 -13.833 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.873 -4.260 -14.623 1.00 0.00 H new ATOM 0 HH TYR A 96 9.843 -2.330 -15.746 1.00 0.00 H new ATOM 1547 N VAL A 97 13.131 -2.382 -8.894 1.00 0.00 N ATOM 1548 CA VAL A 97 12.974 -0.907 -8.704 1.00 0.00 C ATOM 1549 C VAL A 97 13.844 -0.147 -9.697 1.00 0.00 C ATOM 1550 O VAL A 97 14.990 -0.474 -9.918 1.00 0.00 O ATOM 1551 CB VAL A 97 13.399 -0.521 -7.286 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.274 -0.845 -6.311 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.654 -1.305 -6.894 1.00 0.00 C ATOM 0 H VAL A 97 13.865 -2.818 -8.336 1.00 0.00 H new ATOM 0 HA VAL A 97 11.927 -0.649 -8.866 1.00 0.00 H new ATOM 0 HB VAL A 97 13.614 0.547 -7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.577 -0.570 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.381 -0.285 -6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.058 -1.913 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.955 -1.028 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.441 -2.373 -6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.460 -1.072 -7.589 1.00 0.00 H new ATOM 1563 N SER A 98 13.310 0.882 -10.289 1.00 0.00 N ATOM 1564 CA SER A 98 14.108 1.675 -11.257 1.00 0.00 C ATOM 1565 C SER A 98 14.039 3.155 -10.868 1.00 0.00 C ATOM 1566 O SER A 98 12.979 3.692 -10.613 1.00 0.00 O ATOM 1567 CB SER A 98 13.542 1.479 -12.663 1.00 0.00 C ATOM 1568 OG SER A 98 14.532 0.878 -13.488 1.00 0.00 O ATOM 0 H SER A 98 12.354 1.207 -10.143 1.00 0.00 H new ATOM 0 HA SER A 98 15.146 1.344 -11.242 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.653 0.850 -12.625 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.236 2.438 -13.082 1.00 0.00 H new ATOM 0 HG SER A 98 15.319 1.461 -13.532 1.00 0.00 H new ATOM 1574 N SER A 99 15.165 3.813 -10.807 1.00 0.00 N ATOM 1575 CA SER A 99 15.170 5.253 -10.423 1.00 0.00 C ATOM 1576 C SER A 99 14.336 6.054 -11.425 1.00 0.00 C ATOM 1577 O SER A 99 14.079 5.615 -12.528 1.00 0.00 O ATOM 1578 CB SER A 99 16.605 5.783 -10.427 1.00 0.00 C ATOM 1579 OG SER A 99 17.115 5.748 -11.753 1.00 0.00 O ATOM 0 H SER A 99 16.082 3.415 -11.007 1.00 0.00 H new ATOM 0 HA SER A 99 14.745 5.358 -9.425 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.629 6.803 -10.043 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.230 5.179 -9.769 1.00 0.00 H new ATOM 0 HG SER A 99 17.958 6.245 -11.792 1.00 0.00 H new ATOM 1585 N GLU A 100 13.917 7.233 -11.051 1.00 0.00 N ATOM 1586 CA GLU A 100 13.106 8.070 -11.979 1.00 0.00 C ATOM 1587 C GLU A 100 13.361 9.547 -11.673 1.00 0.00 C ATOM 1588 O GLU A 100 12.812 10.101 -10.742 1.00 0.00 O ATOM 1589 CB GLU A 100 11.621 7.755 -11.788 1.00 0.00 C ATOM 1590 CG GLU A 100 11.044 7.201 -13.091 1.00 0.00 C ATOM 1591 CD GLU A 100 9.896 6.240 -12.775 1.00 0.00 C ATOM 1592 OE1 GLU A 100 10.179 5.117 -12.391 1.00 0.00 O ATOM 1593 OE2 GLU A 100 8.754 6.644 -12.923 1.00 0.00 O ATOM 0 H GLU A 100 14.102 7.653 -10.140 1.00 0.00 H new ATOM 0 HA GLU A 100 13.388 7.855 -13.010 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.493 7.030 -10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.082 8.656 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.686 8.017 -13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.821 6.683 -13.654 1.00 0.00 H new ATOM 1600 N LYS A 101 14.195 10.188 -12.445 1.00 0.00 N ATOM 1601 CA LYS A 101 14.489 11.625 -12.194 1.00 0.00 C ATOM 1602 C LYS A 101 13.191 12.430 -12.150 1.00 0.00 C ATOM 1603 O LYS A 101 12.108 11.885 -12.071 1.00 0.00 O ATOM 1604 CB LYS A 101 15.387 12.161 -13.293 1.00 0.00 C ATOM 1605 CG LYS A 101 16.662 12.671 -12.634 1.00 0.00 C ATOM 1606 CD LYS A 101 17.864 12.281 -13.483 1.00 0.00 C ATOM 1607 CE LYS A 101 18.626 13.539 -13.902 1.00 0.00 C ATOM 1608 NZ LYS A 101 20.062 13.397 -13.528 1.00 0.00 N ATOM 0 H LYS A 101 14.686 9.777 -13.239 1.00 0.00 H new ATOM 0 HA LYS A 101 14.995 11.720 -11.233 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.616 11.379 -14.017 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.889 12.963 -13.838 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.618 13.754 -12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.759 12.252 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.520 11.617 -12.920 1.00 0.00 H new ATOM 0 HD3 LYS A 101 17.536 11.732 -14.365 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.533 13.693 -14.977 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.197 14.416 -13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 20.581 14.252 -13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 20.142 13.270 -12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 20.466 12.570 -14.011 1.00 0.00 H new ATOM 1622 N ASP A 102 13.294 13.731 -12.191 1.00 0.00 N ATOM 1623 CA ASP A 102 12.071 14.583 -12.142 1.00 0.00 C ATOM 1624 C ASP A 102 11.108 14.185 -13.258 1.00 0.00 C ATOM 1625 O ASP A 102 9.940 14.520 -13.233 1.00 0.00 O ATOM 1626 CB ASP A 102 12.467 16.052 -12.307 1.00 0.00 C ATOM 1627 CG ASP A 102 12.099 16.826 -11.041 1.00 0.00 C ATOM 1628 OD1 ASP A 102 11.137 16.446 -10.396 1.00 0.00 O ATOM 1629 OD2 ASP A 102 12.788 17.787 -10.737 1.00 0.00 O ATOM 0 H ASP A 102 14.175 14.242 -12.256 1.00 0.00 H new ATOM 0 HA ASP A 102 11.577 14.442 -11.181 1.00 0.00 H new ATOM 0 HB2 ASP A 102 13.537 16.132 -12.496 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.958 16.482 -13.170 1.00 0.00 H new ATOM 1634 N GLY A 103 11.583 13.473 -14.236 1.00 0.00 N ATOM 1635 CA GLY A 103 10.689 13.052 -15.353 1.00 0.00 C ATOM 1636 C GLY A 103 11.525 12.741 -16.595 1.00 0.00 C ATOM 1637 O GLY A 103 11.309 13.295 -17.654 1.00 0.00 O ATOM 0 H GLY A 103 12.551 13.162 -14.314 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.115 12.173 -15.060 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.972 13.842 -15.575 1.00 0.00 H new ATOM 1641 N LYS A 104 12.475 11.855 -16.476 1.00 0.00 N ATOM 1642 CA LYS A 104 13.319 11.506 -17.653 1.00 0.00 C ATOM 1643 C LYS A 104 13.742 10.039 -17.558 1.00 0.00 C ATOM 1644 O LYS A 104 14.652 9.601 -18.234 1.00 0.00 O ATOM 1645 CB LYS A 104 14.562 12.402 -17.676 1.00 0.00 C ATOM 1646 CG LYS A 104 15.553 11.946 -16.602 1.00 0.00 C ATOM 1647 CD LYS A 104 16.860 12.727 -16.751 1.00 0.00 C ATOM 1648 CE LYS A 104 16.656 14.163 -16.267 1.00 0.00 C ATOM 1649 NZ LYS A 104 17.848 14.982 -16.624 1.00 0.00 N ATOM 0 H LYS A 104 12.703 11.358 -15.615 1.00 0.00 H new ATOM 0 HA LYS A 104 12.749 11.659 -18.569 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.033 12.361 -18.658 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.276 13.440 -17.503 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.131 12.108 -15.610 1.00 0.00 H new ATOM 0 HG3 LYS A 104 15.743 10.877 -16.697 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.650 12.247 -16.174 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.180 12.725 -17.793 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.761 14.587 -16.721 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.503 14.176 -15.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.207 15.462 -15.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.590 14.365 -17.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.581 15.692 -17.336 1.00 0.00 H new ATOM 1663 N ALA A 105 13.089 9.277 -16.722 1.00 0.00 N ATOM 1664 CA ALA A 105 13.456 7.840 -16.582 1.00 0.00 C ATOM 1665 C ALA A 105 14.978 7.714 -16.525 1.00 0.00 C ATOM 1666 O ALA A 105 15.613 7.309 -17.478 1.00 0.00 O ATOM 1667 CB ALA A 105 12.920 7.056 -17.781 1.00 0.00 C ATOM 0 H ALA A 105 12.318 9.588 -16.131 1.00 0.00 H new ATOM 0 HA ALA A 105 13.021 7.438 -15.667 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.189 6.005 -17.678 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.835 7.151 -17.822 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.354 7.453 -18.699 1.00 0.00 H new ATOM 1673 N THR A 106 15.566 8.064 -15.415 1.00 0.00 N ATOM 1674 CA THR A 106 17.047 7.974 -15.290 1.00 0.00 C ATOM 1675 C THR A 106 17.541 6.664 -15.910 1.00 0.00 C ATOM 1676 O THR A 106 18.432 6.658 -16.736 1.00 0.00 O ATOM 1677 CB THR A 106 17.430 8.027 -13.811 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.352 7.533 -13.027 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.724 9.474 -13.415 1.00 0.00 C ATOM 0 H THR A 106 15.082 8.410 -14.586 1.00 0.00 H new ATOM 0 HA THR A 106 17.510 8.809 -15.816 1.00 0.00 H new ATOM 0 HB THR A 106 18.316 7.415 -13.641 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.607 6.678 -12.622 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.997 9.514 -12.361 1.00 0.00 H new ATOM 0 HG22 THR A 106 18.548 9.856 -14.018 1.00 0.00 H new ATOM 0 HG23 THR A 106 16.837 10.085 -13.583 1.00 0.00 H new ATOM 1687 N GLY A 107 16.969 5.553 -15.529 1.00 0.00 N ATOM 1688 CA GLY A 107 17.410 4.254 -16.113 1.00 0.00 C ATOM 1689 C GLY A 107 17.813 3.286 -14.999 1.00 0.00 C ATOM 1690 O GLY A 107 17.729 2.084 -15.154 1.00 0.00 O ATOM 0 H GLY A 107 16.218 5.489 -14.841 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.605 3.822 -16.707 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.252 4.416 -16.786 1.00 0.00 H new ATOM 1694 N TRP A 108 18.253 3.792 -13.880 1.00 0.00 N ATOM 1695 CA TRP A 108 18.662 2.886 -12.770 1.00 0.00 C ATOM 1696 C TRP A 108 17.622 1.780 -12.607 1.00 0.00 C ATOM 1697 O TRP A 108 16.435 2.007 -12.719 1.00 0.00 O ATOM 1698 CB TRP A 108 18.762 3.675 -11.463 1.00 0.00 C ATOM 1699 CG TRP A 108 19.506 2.866 -10.449 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.853 2.818 -10.338 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.976 1.990 -9.407 1.00 0.00 C ATOM 1702 NE1 TRP A 108 21.187 1.971 -9.296 1.00 0.00 N ATOM 1703 CE2 TRP A 108 20.067 1.437 -8.691 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.672 1.624 -9.011 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.873 0.556 -7.628 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.478 0.737 -7.942 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.575 0.204 -7.252 1.00 0.00 C ATOM 0 H TRP A 108 18.347 4.789 -13.687 1.00 0.00 H new ATOM 0 HA TRP A 108 19.633 2.450 -13.006 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.274 4.622 -11.635 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.765 3.914 -11.093 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.554 3.354 -10.961 1.00 0.00 H new ATOM 0 HE1 TRP A 108 22.144 1.766 -9.010 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.818 2.029 -9.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.721 0.148 -7.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.476 0.463 -7.648 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.417 -0.478 -6.430 1.00 0.00 H new ATOM 1718 N SER A 109 18.062 0.584 -12.334 1.00 0.00 N ATOM 1719 CA SER A 109 17.106 -0.541 -12.151 1.00 0.00 C ATOM 1720 C SER A 109 17.660 -1.496 -11.091 1.00 0.00 C ATOM 1721 O SER A 109 18.848 -1.533 -10.838 1.00 0.00 O ATOM 1722 CB SER A 109 16.934 -1.296 -13.470 1.00 0.00 C ATOM 1723 OG SER A 109 18.052 -2.153 -13.669 1.00 0.00 O ATOM 0 H SER A 109 19.046 0.337 -12.230 1.00 0.00 H new ATOM 0 HA SER A 109 16.139 -0.150 -11.834 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.013 -1.879 -13.452 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.849 -0.592 -14.297 1.00 0.00 H new ATOM 0 HG SER A 109 17.819 -3.064 -13.394 1.00 0.00 H new ATOM 1729 N ALA A 110 16.815 -2.267 -10.469 1.00 0.00 N ATOM 1730 CA ALA A 110 17.296 -3.216 -9.429 1.00 0.00 C ATOM 1731 C ALA A 110 16.377 -4.432 -9.400 1.00 0.00 C ATOM 1732 O ALA A 110 15.180 -4.317 -9.558 1.00 0.00 O ATOM 1733 CB ALA A 110 17.290 -2.533 -8.061 1.00 0.00 C ATOM 0 H ALA A 110 15.809 -2.281 -10.636 1.00 0.00 H new ATOM 0 HA ALA A 110 18.313 -3.530 -9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.643 -3.233 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.946 -1.663 -8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.276 -2.216 -7.817 1.00 0.00 H new ATOM 1739 N PHE A 111 16.925 -5.599 -9.209 1.00 0.00 N ATOM 1740 CA PHE A 111 16.075 -6.822 -9.187 1.00 0.00 C ATOM 1741 C PHE A 111 16.148 -7.493 -7.816 1.00 0.00 C ATOM 1742 O PHE A 111 17.208 -7.664 -7.251 1.00 0.00 O ATOM 1743 CB PHE A 111 16.569 -7.801 -10.253 1.00 0.00 C ATOM 1744 CG PHE A 111 16.765 -7.071 -11.560 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.881 -6.245 -11.735 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.836 -7.224 -12.595 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.068 -5.571 -12.948 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.024 -6.551 -13.807 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.139 -5.724 -13.982 1.00 0.00 C ATOM 0 H PHE A 111 17.922 -5.759 -9.067 1.00 0.00 H new ATOM 0 HA PHE A 111 15.042 -6.539 -9.390 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.507 -8.257 -9.936 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.849 -8.609 -10.381 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.597 -6.128 -10.935 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.975 -7.861 -12.458 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.929 -4.934 -13.085 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.309 -6.670 -14.607 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.282 -5.203 -14.917 1.00 0.00 H new ATOM 1759 N TYR A 112 15.028 -7.889 -7.280 1.00 0.00 N ATOM 1760 CA TYR A 112 15.041 -8.561 -5.952 1.00 0.00 C ATOM 1761 C TYR A 112 15.355 -10.046 -6.140 1.00 0.00 C ATOM 1762 O TYR A 112 14.519 -10.813 -6.574 1.00 0.00 O ATOM 1763 CB TYR A 112 13.669 -8.414 -5.293 1.00 0.00 C ATOM 1764 CG TYR A 112 13.786 -8.714 -3.819 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.816 -8.134 -3.068 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.866 -9.569 -3.203 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.925 -8.411 -1.701 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.977 -9.847 -1.835 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.006 -9.266 -1.085 1.00 0.00 C ATOM 1770 OH TYR A 112 14.114 -9.540 0.264 1.00 0.00 O ATOM 0 H TYR A 112 14.107 -7.777 -7.703 1.00 0.00 H new ATOM 0 HA TYR A 112 15.800 -8.102 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.289 -7.403 -5.440 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.955 -9.094 -5.758 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.526 -7.473 -3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.071 -10.014 -3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.719 -7.964 -1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.269 -10.509 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 112 14.512 -8.771 0.723 1.00 0.00 H new ATOM 1780 N VAL A 113 16.550 -10.464 -5.814 1.00 0.00 N ATOM 1781 CA VAL A 113 16.895 -11.899 -5.975 1.00 0.00 C ATOM 1782 C VAL A 113 16.543 -12.629 -4.677 1.00 0.00 C ATOM 1783 O VAL A 113 15.573 -12.307 -4.031 1.00 0.00 O ATOM 1784 CB VAL A 113 18.390 -12.044 -6.287 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.634 -13.380 -6.993 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.840 -10.907 -7.212 1.00 0.00 C ATOM 0 H VAL A 113 17.296 -9.874 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 113 16.333 -12.333 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 113 18.954 -12.004 -5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.696 -13.485 -7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.316 -14.197 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.064 -13.410 -7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.902 -11.015 -7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.272 -10.948 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.666 -9.949 -6.722 1.00 0.00 H new ATOM 1796 N ASP A 114 17.334 -13.579 -4.267 1.00 0.00 N ATOM 1797 CA ASP A 114 17.029 -14.299 -2.996 1.00 0.00 C ATOM 1798 C ASP A 114 17.245 -13.311 -1.873 1.00 0.00 C ATOM 1799 O ASP A 114 18.331 -13.204 -1.337 1.00 0.00 O ATOM 1800 CB ASP A 114 17.975 -15.490 -2.833 1.00 0.00 C ATOM 1801 CG ASP A 114 17.263 -16.607 -2.067 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.288 -17.126 -2.585 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.705 -16.924 -0.975 1.00 0.00 O ATOM 0 H ASP A 114 18.176 -13.889 -4.753 1.00 0.00 H new ATOM 0 HA ASP A 114 16.007 -14.678 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.294 -15.851 -3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.874 -15.183 -2.298 1.00 0.00 H new ATOM 1808 N GLY A 115 16.248 -12.529 -1.554 1.00 0.00 N ATOM 1809 CA GLY A 115 16.462 -11.493 -0.518 1.00 0.00 C ATOM 1810 C GLY A 115 17.735 -10.766 -0.933 1.00 0.00 C ATOM 1811 O GLY A 115 18.482 -10.261 -0.119 1.00 0.00 O ATOM 0 H GLY A 115 15.313 -12.565 -1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.616 -10.807 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.569 -11.941 0.470 1.00 0.00 H new ATOM 1815 N LYS A 116 18.008 -10.773 -2.221 1.00 0.00 N ATOM 1816 CA LYS A 116 19.263 -10.149 -2.716 1.00 0.00 C ATOM 1817 C LYS A 116 18.990 -9.107 -3.803 1.00 0.00 C ATOM 1818 O LYS A 116 19.205 -9.361 -4.971 1.00 0.00 O ATOM 1819 CB LYS A 116 20.160 -11.242 -3.298 1.00 0.00 C ATOM 1820 CG LYS A 116 21.310 -11.528 -2.331 1.00 0.00 C ATOM 1821 CD LYS A 116 20.786 -12.332 -1.139 1.00 0.00 C ATOM 1822 CE LYS A 116 21.874 -12.426 -0.069 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.448 -13.801 -0.063 1.00 0.00 N ATOM 0 H LYS A 116 17.413 -11.184 -2.941 1.00 0.00 H new ATOM 0 HA LYS A 116 19.745 -9.647 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.581 -12.149 -3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.553 -10.928 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.098 -12.084 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.751 -10.593 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 116 19.897 -11.855 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.491 -13.331 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.657 -11.694 -0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.457 -12.190 0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.188 -13.865 0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 21.697 -14.490 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.860 -14.009 -0.995 1.00 0.00 H new ATOM 1837 N TRP A 117 18.553 -7.928 -3.448 1.00 0.00 N ATOM 1838 CA TRP A 117 18.325 -6.902 -4.501 1.00 0.00 C ATOM 1839 C TRP A 117 19.586 -6.819 -5.366 1.00 0.00 C ATOM 1840 O TRP A 117 20.668 -7.151 -4.924 1.00 0.00 O ATOM 1841 CB TRP A 117 18.061 -5.539 -3.855 1.00 0.00 C ATOM 1842 CG TRP A 117 16.607 -5.405 -3.545 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.084 -5.335 -2.301 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.480 -5.319 -4.468 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.711 -5.220 -2.397 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.289 -5.204 -3.711 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.374 -5.333 -5.872 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.039 -5.104 -4.324 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.120 -5.232 -6.489 1.00 0.00 C ATOM 1850 CH2 TRP A 117 12.954 -5.118 -5.719 1.00 0.00 C ATOM 0 H TRP A 117 18.348 -7.636 -2.492 1.00 0.00 H new ATOM 0 HA TRP A 117 17.462 -7.175 -5.107 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.649 -5.438 -2.942 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.375 -4.740 -4.527 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.648 -5.364 -1.381 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.085 -5.155 -1.594 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.264 -5.422 -6.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.145 -5.016 -3.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.051 -5.242 -7.567 1.00 0.00 H new ATOM 0 HH2 TRP A 117 11.992 -5.041 -6.203 1.00 0.00 H new ATOM 1861 N VAL A 118 19.465 -6.385 -6.587 1.00 0.00 N ATOM 1862 CA VAL A 118 20.668 -6.293 -7.464 1.00 0.00 C ATOM 1863 C VAL A 118 20.576 -5.028 -8.315 1.00 0.00 C ATOM 1864 O VAL A 118 19.599 -4.309 -8.267 1.00 0.00 O ATOM 1865 CB VAL A 118 20.744 -7.521 -8.380 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.636 -8.583 -7.745 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.349 -8.108 -8.582 1.00 0.00 C ATOM 0 H VAL A 118 18.589 -6.090 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 118 21.563 -6.256 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 118 21.157 -7.215 -9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.687 -9.454 -8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.638 -8.178 -7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.221 -8.877 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.412 -8.980 -9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 118 18.936 -8.405 -7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.702 -7.359 -9.039 1.00 0.00 H new ATOM 1877 N GLU A 119 21.585 -4.751 -9.095 1.00 0.00 N ATOM 1878 CA GLU A 119 21.554 -3.530 -9.949 1.00 0.00 C ATOM 1879 C GLU A 119 21.925 -3.904 -11.385 1.00 0.00 C ATOM 1880 O GLU A 119 23.023 -4.345 -11.658 1.00 0.00 O ATOM 1881 CB GLU A 119 22.557 -2.507 -9.413 1.00 0.00 C ATOM 1882 CG GLU A 119 22.156 -2.091 -7.996 1.00 0.00 C ATOM 1883 CD GLU A 119 23.112 -2.727 -6.986 1.00 0.00 C ATOM 1884 OE1 GLU A 119 22.842 -3.839 -6.563 1.00 0.00 O ATOM 1885 OE2 GLU A 119 24.098 -2.091 -6.652 1.00 0.00 O ATOM 0 H GLU A 119 22.429 -5.317 -9.178 1.00 0.00 H new ATOM 0 HA GLU A 119 20.553 -3.100 -9.932 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.560 -2.934 -9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.586 -1.634 -10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.182 -1.005 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.132 -2.404 -7.790 1.00 0.00 H new ATOM 1892 N GLY A 120 21.017 -3.730 -12.307 1.00 0.00 N ATOM 1893 CA GLY A 120 21.318 -4.076 -13.724 1.00 0.00 C ATOM 1894 C GLY A 120 21.341 -2.801 -14.569 1.00 0.00 C ATOM 1895 O GLY A 120 20.455 -2.556 -15.362 1.00 0.00 O ATOM 0 H GLY A 120 20.080 -3.363 -12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.280 -4.585 -13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.566 -4.766 -14.108 1.00 0.00 H new ATOM 1899 N LYS A 121 22.348 -1.987 -14.404 1.00 0.00 N ATOM 1900 CA LYS A 121 22.426 -0.729 -15.198 1.00 0.00 C ATOM 1901 C LYS A 121 22.112 -1.031 -16.664 1.00 0.00 C ATOM 1902 O LYS A 121 22.642 -1.957 -17.246 1.00 0.00 O ATOM 1903 CB LYS A 121 23.835 -0.144 -15.089 1.00 0.00 C ATOM 1904 CG LYS A 121 23.746 1.346 -14.754 1.00 0.00 C ATOM 1905 CD LYS A 121 24.965 2.073 -15.323 1.00 0.00 C ATOM 1906 CE LYS A 121 24.812 3.579 -15.104 1.00 0.00 C ATOM 1907 NZ LYS A 121 25.136 4.300 -16.366 1.00 0.00 N ATOM 0 H LYS A 121 23.119 -2.139 -13.754 1.00 0.00 H new ATOM 0 HA LYS A 121 21.703 -0.010 -14.812 1.00 0.00 H new ATOM 0 HB2 LYS A 121 24.399 -0.668 -14.317 1.00 0.00 H new ATOM 0 HB3 LYS A 121 24.372 -0.285 -16.027 1.00 0.00 H new ATOM 0 HG2 LYS A 121 22.831 1.769 -15.170 1.00 0.00 H new ATOM 0 HG3 LYS A 121 23.699 1.484 -13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 121 25.873 1.715 -14.838 1.00 0.00 H new ATOM 0 HD3 LYS A 121 25.065 1.858 -16.387 1.00 0.00 H new ATOM 0 HE2 LYS A 121 23.794 3.810 -14.792 1.00 0.00 H new ATOM 0 HE3 LYS A 121 25.474 3.910 -14.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 25.032 5.324 -16.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 26.115 4.088 -16.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 24.487 3.992 -17.118 1.00 0.00 H new ATOM 1921 N LYS A 122 21.252 -0.257 -17.268 1.00 0.00 N ATOM 1922 CA LYS A 122 20.904 -0.500 -18.696 1.00 0.00 C ATOM 1923 C LYS A 122 19.867 0.529 -19.151 1.00 0.00 C ATOM 1924 O LYS A 122 19.044 0.183 -19.983 1.00 0.00 O ATOM 1925 CB LYS A 122 20.325 -1.908 -18.847 1.00 0.00 C ATOM 1926 CG LYS A 122 21.014 -2.624 -20.011 1.00 0.00 C ATOM 1927 CD LYS A 122 20.849 -4.136 -19.851 1.00 0.00 C ATOM 1928 CE LYS A 122 22.040 -4.702 -19.076 1.00 0.00 C ATOM 1929 NZ LYS A 122 23.260 -4.651 -19.933 1.00 0.00 N ATOM 1930 OXT LYS A 122 19.913 1.644 -18.660 1.00 0.00 O ATOM 0 H LYS A 122 20.775 0.533 -16.834 1.00 0.00 H new ATOM 0 HA LYS A 122 21.801 -0.408 -19.309 1.00 0.00 H new ATOM 0 HB2 LYS A 122 20.467 -2.471 -17.925 1.00 0.00 H new ATOM 0 HB3 LYS A 122 19.251 -1.853 -19.025 1.00 0.00 H new ATOM 0 HG2 LYS A 122 20.583 -2.299 -20.958 1.00 0.00 H new ATOM 0 HG3 LYS A 122 22.072 -2.364 -20.036 1.00 0.00 H new ATOM 0 HD2 LYS A 122 19.921 -4.357 -19.324 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.780 -4.610 -20.830 1.00 0.00 H new ATOM 0 HE2 LYS A 122 22.199 -4.128 -18.163 1.00 0.00 H new ATOM 0 HE3 LYS A 122 21.837 -5.730 -18.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 23.913 -5.410 -19.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 22.990 -4.777 -20.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 23.728 -3.730 -19.816 1.00 0.00 H new TER 1944 LYS A 122