USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 13 SER OG : rot -60:sc= 0.798 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 156:sc= 1.27 (180deg=-0.0727) USER MOD Set 2.1: A 16 TYR OH : rot -143:sc= 2.31 USER MOD Set 2.2: A 34 LYS NZ :NH3+ 154:sc= -0.111 (180deg=-2!) USER MOD Set 3.1: A 1 HIS : no HD1:sc= 0 X(o=4.2,f=3.8) USER MOD Set 3.2: A 3 THR OG1 : rot 155:sc= 2.78 USER MOD Set 3.3: A 9 TYR OH : rot 53:sc= 0.921 USER MOD Set 3.4: A 28 CYS SG : rot 85:sc= 0.497 USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -163:sc= -0.114 (180deg=-0.49) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.0135 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0938 USER MOD Single : A 11 GLN : amide:sc= -1.2! X(o=-1.2!,f=-0.9) USER MOD Single : A 12 GLN : amide:sc=-0.00884 K(o=-0.0088,f=-0.69) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= 1.27 (180deg=0.842) USER MOD Single : A 31 MET CE :methyl 141:sc= -0.17 (180deg=-1.4) USER MOD Single : A 41 HIS :FLIP no HE2:sc= -1.92! C(o=-2.9!,f=-1.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= -0.312 (180deg=-0.88) USER MOD Single : A 68 SER OG : rot -130:sc= 1.2 USER MOD Single : A 69 THR OG1 : rot -170:sc= -0.952 USER MOD Single : A 71 MET CE :methyl 161:sc= -0.14 (180deg=-0.669) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= -0.0133 (180deg=-0.158) USER MOD Single : A 78 CYS SG : rot -36:sc= 0.00547 USER MOD Single : A 79 TYR OH : rot -139:sc= 1.26 USER MOD Single : A 81 THR OG1 : rot -89:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 3.319 7.182 -12.244 1.00 0.00 N ATOM 2 CA HIS A 1 2.686 6.590 -11.080 1.00 0.00 C ATOM 3 C HIS A 1 3.534 6.743 -9.853 1.00 0.00 C ATOM 4 O HIS A 1 4.484 6.000 -9.647 1.00 0.00 O ATOM 5 CB HIS A 1 2.313 5.119 -11.305 1.00 0.00 C ATOM 6 CG HIS A 1 1.125 4.926 -12.189 1.00 0.00 C ATOM 7 ND1 HIS A 1 1.187 4.646 -13.538 1.00 0.00 N ATOM 8 CD2 HIS A 1 -0.191 4.967 -11.880 1.00 0.00 C ATOM 9 CE1 HIS A 1 -0.062 4.530 -13.992 1.00 0.00 C ATOM 10 NE2 HIS A 1 -0.939 4.717 -13.022 1.00 0.00 N ATOM 0 H1 HIS A 1 2.705 7.058 -13.074 1.00 0.00 H new ATOM 0 H2 HIS A 1 3.474 8.197 -12.077 1.00 0.00 H new ATOM 0 H3 HIS A 1 4.233 6.716 -12.417 1.00 0.00 H new ATOM 0 HA HIS A 1 1.758 7.139 -10.921 1.00 0.00 H new ATOM 0 HB2 HIS A 1 3.167 4.600 -11.741 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.116 4.652 -10.340 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -0.596 5.163 -10.898 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.322 4.312 -15.017 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -1.956 4.684 -13.097 1.00 0.00 H new ATOM 18 N MET A 2 3.209 7.752 -9.079 1.00 0.00 N ATOM 19 CA MET A 2 3.832 8.067 -7.815 1.00 0.00 C ATOM 20 C MET A 2 2.770 8.778 -6.992 1.00 0.00 C ATOM 21 O MET A 2 2.199 9.769 -7.447 1.00 0.00 O ATOM 22 CB MET A 2 5.068 8.979 -7.977 1.00 0.00 C ATOM 23 CG MET A 2 6.244 8.374 -8.740 1.00 0.00 C ATOM 24 SD MET A 2 7.680 9.473 -8.834 1.00 0.00 S ATOM 25 CE MET A 2 6.992 10.869 -9.729 1.00 0.00 C ATOM 0 H MET A 2 2.467 8.407 -9.326 1.00 0.00 H new ATOM 0 HA MET A 2 4.190 7.155 -7.338 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.759 9.891 -8.487 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.414 9.270 -6.985 1.00 0.00 H new ATOM 0 HG2 MET A 2 6.540 7.442 -8.258 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.921 8.122 -9.750 1.00 0.00 H new ATOM 0 HE1 MET A 2 7.802 11.482 -10.126 1.00 0.00 H new ATOM 0 HE2 MET A 2 6.375 10.506 -10.551 1.00 0.00 H new ATOM 0 HE3 MET A 2 6.381 11.468 -9.054 1.00 0.00 H new ATOM 35 N THR A 3 2.484 8.272 -5.835 1.00 0.00 N ATOM 36 CA THR A 3 1.450 8.827 -4.989 1.00 0.00 C ATOM 37 C THR A 3 2.043 9.685 -3.899 1.00 0.00 C ATOM 38 O THR A 3 2.844 9.205 -3.093 1.00 0.00 O ATOM 39 CB THR A 3 0.589 7.702 -4.352 1.00 0.00 C ATOM 40 OG1 THR A 3 -0.134 6.986 -5.371 1.00 0.00 O ATOM 41 CG2 THR A 3 -0.388 8.252 -3.317 1.00 0.00 C ATOM 0 H THR A 3 2.957 7.459 -5.440 1.00 0.00 H new ATOM 0 HA THR A 3 0.813 9.447 -5.619 1.00 0.00 H new ATOM 0 HB THR A 3 1.271 7.021 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.339 6.082 -5.053 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.971 7.433 -2.896 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.167 8.750 -2.521 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.059 8.967 -3.794 1.00 0.00 H new ATOM 49 N PHE A 4 1.695 10.956 -3.898 1.00 0.00 N ATOM 50 CA PHE A 4 2.156 11.859 -2.862 1.00 0.00 C ATOM 51 C PHE A 4 0.986 12.713 -2.370 1.00 0.00 C ATOM 52 O PHE A 4 1.169 13.709 -1.652 1.00 0.00 O ATOM 53 CB PHE A 4 3.295 12.773 -3.347 1.00 0.00 C ATOM 54 CG PHE A 4 4.474 12.024 -3.855 1.00 0.00 C ATOM 55 CD1 PHE A 4 5.260 11.286 -2.991 1.00 0.00 C ATOM 56 CD2 PHE A 4 4.767 12.015 -5.201 1.00 0.00 C ATOM 57 CE1 PHE A 4 6.320 10.558 -3.464 1.00 0.00 C ATOM 58 CE2 PHE A 4 5.819 11.284 -5.678 1.00 0.00 C ATOM 59 CZ PHE A 4 6.594 10.554 -4.810 1.00 0.00 C ATOM 0 H PHE A 4 1.095 11.387 -4.602 1.00 0.00 H new ATOM 0 HA PHE A 4 2.550 11.251 -2.048 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.919 13.423 -4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.609 13.418 -2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.037 11.283 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.161 12.590 -5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.936 9.991 -2.783 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.040 11.280 -6.735 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.423 9.974 -5.188 1.00 0.00 H new ATOM 69 N CYS A 5 -0.211 12.298 -2.719 1.00 0.00 N ATOM 70 CA CYS A 5 -1.427 12.969 -2.302 1.00 0.00 C ATOM 71 C CYS A 5 -2.423 11.907 -1.843 1.00 0.00 C ATOM 72 O CYS A 5 -3.048 11.254 -2.674 1.00 0.00 O ATOM 73 CB CYS A 5 -2.007 13.775 -3.467 1.00 0.00 C ATOM 74 SG CYS A 5 -0.881 15.005 -4.168 1.00 0.00 S ATOM 0 H CYS A 5 -0.372 11.479 -3.305 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.216 13.659 -1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -2.306 13.085 -4.256 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.910 14.281 -3.127 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.471 15.626 -5.146 1.00 0.00 H new ATOM 80 N LEU A 6 -2.578 11.744 -0.526 1.00 0.00 N ATOM 81 CA LEU A 6 -3.445 10.690 -0.009 1.00 0.00 C ATOM 82 C LEU A 6 -4.922 11.059 -0.149 1.00 0.00 C ATOM 83 O LEU A 6 -5.791 10.222 -0.419 1.00 0.00 O ATOM 84 CB LEU A 6 -3.087 10.291 1.479 1.00 0.00 C ATOM 85 CG LEU A 6 -3.521 11.160 2.705 1.00 0.00 C ATOM 86 CD1 LEU A 6 -3.188 12.631 2.583 1.00 0.00 C ATOM 87 CD2 LEU A 6 -4.981 10.928 3.102 1.00 0.00 C ATOM 0 H LEU A 6 -2.124 12.316 0.186 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.264 9.808 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.495 9.294 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.002 10.203 1.527 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.902 10.800 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.525 13.156 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.110 12.752 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.689 13.046 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.230 11.556 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.631 11.182 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.124 9.880 3.367 1.00 0.00 H new ATOM 99 N GLU A 7 -5.181 12.337 -0.023 1.00 0.00 N ATOM 100 CA GLU A 7 -6.517 12.878 -0.049 1.00 0.00 C ATOM 101 C GLU A 7 -7.100 12.875 -1.455 1.00 0.00 C ATOM 102 O GLU A 7 -8.309 12.820 -1.633 1.00 0.00 O ATOM 103 CB GLU A 7 -6.504 14.258 0.643 1.00 0.00 C ATOM 104 CG GLU A 7 -7.660 15.204 0.360 1.00 0.00 C ATOM 105 CD GLU A 7 -9.010 14.732 0.821 1.00 0.00 C ATOM 106 OE1 GLU A 7 -9.146 14.347 1.996 1.00 0.00 O ATOM 107 OE2 GLU A 7 -9.966 14.784 0.018 1.00 0.00 O ATOM 0 H GLU A 7 -4.456 13.043 0.103 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.198 12.241 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.463 14.092 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.580 14.765 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.448 16.162 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.705 15.384 -0.714 1.00 0.00 H new ATOM 114 N THR A 8 -6.255 12.839 -2.446 1.00 0.00 N ATOM 115 CA THR A 8 -6.722 12.786 -3.794 1.00 0.00 C ATOM 116 C THR A 8 -7.383 11.421 -4.041 1.00 0.00 C ATOM 117 O THR A 8 -8.371 11.318 -4.757 1.00 0.00 O ATOM 118 CB THR A 8 -5.569 13.052 -4.770 1.00 0.00 C ATOM 119 OG1 THR A 8 -4.995 14.336 -4.453 1.00 0.00 O ATOM 120 CG2 THR A 8 -6.049 13.063 -6.217 1.00 0.00 C ATOM 0 H THR A 8 -5.240 12.846 -2.342 1.00 0.00 H new ATOM 0 HA THR A 8 -7.467 13.564 -3.963 1.00 0.00 H new ATOM 0 HB THR A 8 -4.833 12.254 -4.668 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.254 14.523 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.204 13.254 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.490 12.097 -6.461 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.796 13.846 -6.347 1.00 0.00 H new ATOM 128 N TYR A 9 -6.891 10.403 -3.346 1.00 0.00 N ATOM 129 CA TYR A 9 -7.443 9.074 -3.445 1.00 0.00 C ATOM 130 C TYR A 9 -8.757 8.980 -2.727 1.00 0.00 C ATOM 131 O TYR A 9 -9.646 8.214 -3.126 1.00 0.00 O ATOM 132 CB TYR A 9 -6.460 8.026 -2.967 1.00 0.00 C ATOM 133 CG TYR A 9 -5.401 7.752 -3.990 1.00 0.00 C ATOM 134 CD1 TYR A 9 -4.304 8.581 -4.117 1.00 0.00 C ATOM 135 CD2 TYR A 9 -5.521 6.677 -4.859 1.00 0.00 C ATOM 136 CE1 TYR A 9 -3.352 8.348 -5.075 1.00 0.00 C ATOM 137 CE2 TYR A 9 -4.566 6.437 -5.819 1.00 0.00 C ATOM 138 CZ TYR A 9 -3.484 7.279 -5.921 1.00 0.00 C ATOM 139 OH TYR A 9 -2.516 7.048 -6.871 1.00 0.00 O ATOM 0 H TYR A 9 -6.103 10.483 -2.704 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.634 8.871 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.993 8.361 -2.041 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.994 7.103 -2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.195 9.425 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.375 6.021 -4.781 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.500 9.006 -5.163 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.665 5.594 -6.487 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.637 7.010 -6.440 1.00 0.00 H new ATOM 149 N LEU A 10 -8.898 9.799 -1.697 1.00 0.00 N ATOM 150 CA LEU A 10 -10.121 9.882 -0.932 1.00 0.00 C ATOM 151 C LEU A 10 -11.216 10.350 -1.896 1.00 0.00 C ATOM 152 O LEU A 10 -12.294 9.754 -1.998 1.00 0.00 O ATOM 153 CB LEU A 10 -9.932 10.900 0.236 1.00 0.00 C ATOM 154 CG LEU A 10 -11.031 10.954 1.320 1.00 0.00 C ATOM 155 CD1 LEU A 10 -10.471 11.543 2.595 1.00 0.00 C ATOM 156 CD2 LEU A 10 -12.195 11.813 0.867 1.00 0.00 C ATOM 0 H LEU A 10 -8.162 10.425 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.391 8.921 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.985 10.676 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.838 11.896 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.378 9.936 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.253 11.577 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.647 10.924 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.109 12.553 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.956 11.835 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.845 12.827 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.622 11.395 -0.045 1.00 0.00 H new ATOM 168 N GLN A 11 -10.851 11.357 -2.669 1.00 0.00 N ATOM 169 CA GLN A 11 -11.703 11.997 -3.646 1.00 0.00 C ATOM 170 C GLN A 11 -12.002 11.074 -4.792 1.00 0.00 C ATOM 171 O GLN A 11 -13.105 11.098 -5.358 1.00 0.00 O ATOM 172 CB GLN A 11 -11.001 13.235 -4.151 1.00 0.00 C ATOM 173 CG GLN A 11 -10.801 14.239 -3.062 1.00 0.00 C ATOM 174 CD GLN A 11 -9.863 15.338 -3.421 1.00 0.00 C ATOM 175 OE1 GLN A 11 -9.760 15.751 -4.573 1.00 0.00 O ATOM 176 NE2 GLN A 11 -9.139 15.790 -2.446 1.00 0.00 N ATOM 0 H GLN A 11 -9.917 11.764 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.652 12.261 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.035 12.959 -4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.585 13.682 -4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.766 14.670 -2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.425 13.729 -2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.260 15.416 -1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.448 16.520 -2.620 1.00 0.00 H new ATOM 185 N GLN A 12 -11.027 10.274 -5.136 1.00 0.00 N ATOM 186 CA GLN A 12 -11.156 9.326 -6.193 1.00 0.00 C ATOM 187 C GLN A 12 -12.159 8.268 -5.836 1.00 0.00 C ATOM 188 O GLN A 12 -13.039 7.942 -6.632 1.00 0.00 O ATOM 189 CB GLN A 12 -9.809 8.699 -6.553 1.00 0.00 C ATOM 190 CG GLN A 12 -8.904 9.612 -7.355 1.00 0.00 C ATOM 191 CD GLN A 12 -7.514 9.042 -7.554 1.00 0.00 C ATOM 192 OE1 GLN A 12 -6.604 9.310 -6.776 1.00 0.00 O ATOM 193 NE2 GLN A 12 -7.338 8.232 -8.569 1.00 0.00 N ATOM 0 H GLN A 12 -10.114 10.268 -4.681 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.515 9.859 -7.073 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.297 8.410 -5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.984 7.786 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.357 9.799 -8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.827 10.574 -6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.114 8.028 -9.199 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.425 7.806 -8.729 1.00 0.00 H new ATOM 202 N SER A 13 -12.062 7.738 -4.640 1.00 0.00 N ATOM 203 CA SER A 13 -12.963 6.700 -4.214 1.00 0.00 C ATOM 204 C SER A 13 -13.073 6.675 -2.704 1.00 0.00 C ATOM 205 O SER A 13 -14.112 7.040 -2.127 1.00 0.00 O ATOM 206 CB SER A 13 -12.509 5.327 -4.745 1.00 0.00 C ATOM 207 OG SER A 13 -12.377 5.349 -6.157 1.00 0.00 O ATOM 0 H SER A 13 -11.366 8.011 -3.946 1.00 0.00 H new ATOM 0 HA SER A 13 -13.948 6.916 -4.628 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.556 5.054 -4.291 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.231 4.564 -4.455 1.00 0.00 H new ATOM 0 HG SER A 13 -13.241 5.572 -6.563 1.00 0.00 H new ATOM 213 N GLY A 14 -12.006 6.307 -2.083 1.00 0.00 N ATOM 214 CA GLY A 14 -11.960 6.185 -0.676 1.00 0.00 C ATOM 215 C GLY A 14 -10.546 6.150 -0.250 1.00 0.00 C ATOM 216 O GLY A 14 -9.660 6.000 -1.094 1.00 0.00 O ATOM 0 H GLY A 14 -11.129 6.080 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.475 7.023 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.473 5.277 -0.358 1.00 0.00 H new ATOM 220 N GLU A 15 -10.319 6.304 1.006 1.00 0.00 N ATOM 221 CA GLU A 15 -8.989 6.333 1.542 1.00 0.00 C ATOM 222 C GLU A 15 -8.296 4.967 1.421 1.00 0.00 C ATOM 223 O GLU A 15 -8.928 3.913 1.520 1.00 0.00 O ATOM 224 CB GLU A 15 -8.992 6.773 3.019 1.00 0.00 C ATOM 225 CG GLU A 15 -9.844 8.001 3.344 1.00 0.00 C ATOM 226 CD GLU A 15 -11.305 7.673 3.607 1.00 0.00 C ATOM 227 OE1 GLU A 15 -12.100 7.592 2.654 1.00 0.00 O ATOM 228 OE2 GLU A 15 -11.682 7.510 4.783 1.00 0.00 O ATOM 0 H GLU A 15 -11.054 6.415 1.705 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.431 7.060 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.343 5.939 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.964 6.977 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.429 8.500 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.782 8.706 2.515 1.00 0.00 H new ATOM 235 N TYR A 16 -7.018 5.010 1.160 1.00 0.00 N ATOM 236 CA TYR A 16 -6.181 3.822 1.085 1.00 0.00 C ATOM 237 C TYR A 16 -4.901 4.112 1.879 1.00 0.00 C ATOM 238 O TYR A 16 -4.016 3.265 2.054 1.00 0.00 O ATOM 239 CB TYR A 16 -5.868 3.477 -0.391 1.00 0.00 C ATOM 240 CG TYR A 16 -4.920 2.308 -0.573 1.00 0.00 C ATOM 241 CD1 TYR A 16 -5.269 1.031 -0.160 1.00 0.00 C ATOM 242 CD2 TYR A 16 -3.657 2.495 -1.114 1.00 0.00 C ATOM 243 CE1 TYR A 16 -4.389 -0.024 -0.289 1.00 0.00 C ATOM 244 CE2 TYR A 16 -2.774 1.446 -1.239 1.00 0.00 C ATOM 245 CZ TYR A 16 -3.140 0.193 -0.832 1.00 0.00 C ATOM 246 OH TYR A 16 -2.229 -0.850 -0.945 1.00 0.00 O ATOM 0 H TYR A 16 -6.512 5.879 0.989 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.691 2.957 1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.803 3.255 -0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.439 4.355 -0.874 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.245 0.859 0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.361 3.480 -1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.677 -1.014 0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.793 1.613 -1.658 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.326 -0.517 -0.763 1.00 0.00 H new ATOM 256 N GLU A 17 -4.913 5.278 2.473 1.00 0.00 N ATOM 257 CA GLU A 17 -3.828 5.839 3.197 1.00 0.00 C ATOM 258 C GLU A 17 -4.457 6.751 4.251 1.00 0.00 C ATOM 259 O GLU A 17 -5.609 7.204 4.072 1.00 0.00 O ATOM 260 CB GLU A 17 -2.959 6.702 2.250 1.00 0.00 C ATOM 261 CG GLU A 17 -2.345 5.970 1.059 1.00 0.00 C ATOM 262 CD GLU A 17 -1.623 6.901 0.101 1.00 0.00 C ATOM 263 OE1 GLU A 17 -2.287 7.745 -0.533 1.00 0.00 O ATOM 264 OE2 GLU A 17 -0.387 6.789 -0.028 1.00 0.00 O ATOM 0 H GLU A 17 -5.732 5.886 2.457 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.201 5.064 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.571 7.521 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.153 7.148 2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.645 5.218 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.131 5.441 0.520 1.00 0.00 H new ATOM 271 N ILE A 18 -3.765 7.007 5.339 1.00 0.00 N ATOM 272 CA ILE A 18 -4.293 7.907 6.336 1.00 0.00 C ATOM 273 C ILE A 18 -3.734 9.314 6.078 1.00 0.00 C ATOM 274 O ILE A 18 -2.825 9.454 5.279 1.00 0.00 O ATOM 275 CB ILE A 18 -4.102 7.403 7.817 1.00 0.00 C ATOM 276 CG1 ILE A 18 -4.948 8.230 8.804 1.00 0.00 C ATOM 277 CG2 ILE A 18 -2.644 7.399 8.234 1.00 0.00 C ATOM 278 CD1 ILE A 18 -4.936 7.711 10.221 1.00 0.00 C ATOM 0 H ILE A 18 -2.850 6.611 5.553 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.378 7.942 6.233 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.454 6.372 7.846 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.584 9.258 8.803 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.978 8.256 8.448 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.560 7.045 9.261 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.079 6.739 7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.243 8.410 8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.556 8.351 10.848 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.329 6.695 10.240 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.914 7.712 10.600 1.00 0.00 H new ATOM 290 N HIS A 19 -4.282 10.353 6.704 1.00 0.00 N ATOM 291 CA HIS A 19 -3.833 11.721 6.464 1.00 0.00 C ATOM 292 C HIS A 19 -2.498 11.960 7.173 1.00 0.00 C ATOM 293 O HIS A 19 -2.421 12.538 8.256 1.00 0.00 O ATOM 294 CB HIS A 19 -4.898 12.749 6.896 1.00 0.00 C ATOM 295 CG HIS A 19 -4.753 14.095 6.237 1.00 0.00 C ATOM 296 ND1 HIS A 19 -5.480 14.473 5.133 1.00 0.00 N ATOM 297 CD2 HIS A 19 -3.961 15.155 6.535 1.00 0.00 C ATOM 298 CE1 HIS A 19 -5.131 15.698 4.793 1.00 0.00 C ATOM 299 NE2 HIS A 19 -4.207 16.176 5.609 1.00 0.00 N ATOM 0 H HIS A 19 -5.039 10.272 7.383 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.684 11.856 5.393 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.887 12.350 6.669 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.846 12.878 7.977 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.256 15.204 7.352 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.546 16.241 3.957 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.766 17.095 5.572 1.00 0.00 H new ATOM 307 N MET A 20 -1.516 11.359 6.603 1.00 0.00 N ATOM 308 CA MET A 20 -0.127 11.408 7.000 1.00 0.00 C ATOM 309 C MET A 20 0.713 11.540 5.743 1.00 0.00 C ATOM 310 O MET A 20 0.135 11.612 4.647 1.00 0.00 O ATOM 311 CB MET A 20 0.226 10.141 7.766 1.00 0.00 C ATOM 312 CG MET A 20 -0.030 10.214 9.255 1.00 0.00 C ATOM 313 SD MET A 20 0.914 11.537 10.041 1.00 0.00 S ATOM 314 CE MET A 20 0.489 11.258 11.757 1.00 0.00 C ATOM 0 H MET A 20 -1.658 10.771 5.782 1.00 0.00 H new ATOM 0 HA MET A 20 0.065 12.258 7.654 1.00 0.00 H new ATOM 0 HB2 MET A 20 -0.346 9.311 7.352 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.280 9.915 7.602 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.094 10.373 9.432 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.231 9.261 9.715 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.993 11.996 12.381 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.590 11.351 11.884 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.804 10.257 12.052 1.00 0.00 H new ATOM 324 N LYS A 21 2.044 11.531 5.855 1.00 0.00 N ATOM 325 CA LYS A 21 2.890 11.712 4.674 1.00 0.00 C ATOM 326 C LYS A 21 2.956 10.434 3.889 1.00 0.00 C ATOM 327 O LYS A 21 3.530 9.451 4.330 1.00 0.00 O ATOM 328 CB LYS A 21 4.306 12.187 5.013 1.00 0.00 C ATOM 329 CG LYS A 21 4.374 13.490 5.778 1.00 0.00 C ATOM 330 CD LYS A 21 5.797 14.014 5.823 1.00 0.00 C ATOM 331 CE LYS A 21 5.941 15.188 6.775 1.00 0.00 C ATOM 332 NZ LYS A 21 5.733 14.770 8.174 1.00 0.00 N ATOM 0 H LYS A 21 2.550 11.403 6.731 1.00 0.00 H new ATOM 0 HA LYS A 21 2.428 12.498 4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.803 11.413 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.868 12.297 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.725 14.228 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.004 13.341 6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.469 13.213 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.103 14.319 4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.933 15.627 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.220 15.962 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.283 15.386 8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.723 14.843 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.046 13.785 8.292 1.00 0.00 H new ATOM 346 N ARG A 22 2.373 10.448 2.749 1.00 0.00 N ATOM 347 CA ARG A 22 2.301 9.307 1.930 1.00 0.00 C ATOM 348 C ARG A 22 3.307 9.415 0.771 1.00 0.00 C ATOM 349 O ARG A 22 3.448 10.473 0.149 1.00 0.00 O ATOM 350 CB ARG A 22 0.840 9.150 1.451 1.00 0.00 C ATOM 351 CG ARG A 22 0.347 10.083 0.330 1.00 0.00 C ATOM 352 CD ARG A 22 0.615 11.576 0.562 1.00 0.00 C ATOM 353 NE ARG A 22 0.121 12.164 1.822 1.00 0.00 N ATOM 354 CZ ARG A 22 0.128 13.510 2.066 1.00 0.00 C ATOM 355 NH1 ARG A 22 0.441 14.360 1.092 1.00 0.00 N ATOM 356 NH2 ARG A 22 -0.176 13.986 3.276 1.00 0.00 N ATOM 0 H ARG A 22 1.924 11.274 2.354 1.00 0.00 H new ATOM 0 HA ARG A 22 2.577 8.410 2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.707 8.122 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.188 9.289 2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.822 9.785 -0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.726 9.938 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.692 11.737 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.173 12.131 -0.265 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.242 11.540 2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.676 14.008 0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.446 15.364 1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.417 13.344 4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.167 14.992 3.445 1.00 0.00 H new ATOM 370 N ALA A 23 4.059 8.375 0.545 1.00 0.00 N ATOM 371 CA ALA A 23 4.984 8.355 -0.545 1.00 0.00 C ATOM 372 C ALA A 23 4.890 7.005 -1.184 1.00 0.00 C ATOM 373 O ALA A 23 5.438 6.026 -0.682 1.00 0.00 O ATOM 374 CB ALA A 23 6.392 8.650 -0.070 1.00 0.00 C ATOM 0 H ALA A 23 4.046 7.525 1.108 1.00 0.00 H new ATOM 0 HA ALA A 23 4.738 9.130 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.075 8.628 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.421 9.636 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.695 7.898 0.658 1.00 0.00 H new ATOM 380 N GLY A 24 4.158 6.924 -2.242 1.00 0.00 N ATOM 381 CA GLY A 24 3.958 5.666 -2.867 1.00 0.00 C ATOM 382 C GLY A 24 4.413 5.609 -4.286 1.00 0.00 C ATOM 383 O GLY A 24 3.621 5.807 -5.182 1.00 0.00 O ATOM 0 H GLY A 24 3.690 7.712 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.486 4.902 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.897 5.418 -2.827 1.00 0.00 H new ATOM 387 N PHE A 25 5.676 5.302 -4.501 1.00 0.00 N ATOM 388 CA PHE A 25 6.220 5.250 -5.854 1.00 0.00 C ATOM 389 C PHE A 25 5.687 4.032 -6.597 1.00 0.00 C ATOM 390 O PHE A 25 4.760 4.126 -7.381 1.00 0.00 O ATOM 391 CB PHE A 25 7.758 5.207 -5.842 1.00 0.00 C ATOM 392 CG PHE A 25 8.427 6.397 -5.231 1.00 0.00 C ATOM 393 CD1 PHE A 25 8.649 7.531 -5.975 1.00 0.00 C ATOM 394 CD2 PHE A 25 8.849 6.375 -3.920 1.00 0.00 C ATOM 395 CE1 PHE A 25 9.274 8.626 -5.426 1.00 0.00 C ATOM 396 CE2 PHE A 25 9.477 7.468 -3.365 1.00 0.00 C ATOM 397 CZ PHE A 25 9.688 8.594 -4.118 1.00 0.00 C ATOM 0 H PHE A 25 6.347 5.085 -3.764 1.00 0.00 H new ATOM 0 HA PHE A 25 5.903 6.158 -6.367 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.076 4.315 -5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.110 5.100 -6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.328 7.563 -7.006 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.686 5.491 -3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.439 9.510 -6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.803 7.438 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.178 9.453 -3.683 1.00 0.00 H new ATOM 407 N ARG A 26 6.219 2.884 -6.264 1.00 0.00 N ATOM 408 CA ARG A 26 5.848 1.654 -6.935 1.00 0.00 C ATOM 409 C ARG A 26 4.451 1.200 -6.618 1.00 0.00 C ATOM 410 O ARG A 26 3.729 0.764 -7.503 1.00 0.00 O ATOM 411 CB ARG A 26 6.818 0.545 -6.604 1.00 0.00 C ATOM 412 CG ARG A 26 8.213 0.701 -7.172 1.00 0.00 C ATOM 413 CD ARG A 26 8.249 0.417 -8.670 1.00 0.00 C ATOM 414 NE ARG A 26 7.509 1.410 -9.466 1.00 0.00 N ATOM 415 CZ ARG A 26 6.588 1.127 -10.408 1.00 0.00 C ATOM 416 NH1 ARG A 26 6.263 -0.138 -10.689 1.00 0.00 N ATOM 417 NH2 ARG A 26 6.002 2.117 -11.065 1.00 0.00 N ATOM 0 H ARG A 26 6.916 2.770 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 26 5.885 1.878 -8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.894 0.466 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.402 -0.396 -6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.570 1.714 -6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.893 0.023 -6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.286 0.393 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.831 -0.573 -8.856 1.00 0.00 H new ATOM 0 HE ARG A 26 7.710 2.394 -9.290 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.714 -0.904 -10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.564 -0.338 -11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.249 3.084 -10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.304 1.912 -11.780 1.00 0.00 H new ATOM 431 N GLU A 27 4.023 1.365 -5.374 1.00 0.00 N ATOM 432 CA GLU A 27 2.716 0.867 -5.012 1.00 0.00 C ATOM 433 C GLU A 27 1.612 1.765 -5.575 1.00 0.00 C ATOM 434 O GLU A 27 0.446 1.418 -5.535 1.00 0.00 O ATOM 435 CB GLU A 27 2.652 0.649 -3.517 1.00 0.00 C ATOM 436 CG GLU A 27 1.832 -0.540 -3.049 1.00 0.00 C ATOM 437 CD GLU A 27 0.413 -0.233 -2.682 1.00 0.00 C ATOM 438 OE1 GLU A 27 -0.466 -0.354 -3.524 1.00 0.00 O ATOM 439 OE2 GLU A 27 0.149 -0.017 -1.498 1.00 0.00 O ATOM 0 H GLU A 27 4.544 1.824 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 27 2.542 -0.107 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.669 0.532 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.245 1.549 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.832 -1.293 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.326 -0.984 -2.184 1.00 0.00 H new ATOM 446 N CYS A 28 2.000 2.923 -6.130 1.00 0.00 N ATOM 447 CA CYS A 28 1.025 3.802 -6.785 1.00 0.00 C ATOM 448 C CYS A 28 0.320 3.039 -7.921 1.00 0.00 C ATOM 449 O CYS A 28 -0.871 3.215 -8.160 1.00 0.00 O ATOM 450 CB CYS A 28 1.697 5.028 -7.377 1.00 0.00 C ATOM 451 SG CYS A 28 0.553 6.217 -8.123 1.00 0.00 S ATOM 0 H CYS A 28 2.961 3.266 -6.139 1.00 0.00 H new ATOM 0 HA CYS A 28 0.306 4.120 -6.030 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.265 5.530 -6.594 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.413 4.706 -8.134 1.00 0.00 H new ATOM 0 HG CYS A 28 0.098 7.016 -7.204 1.00 0.00 H new ATOM 457 N ALA A 29 1.067 2.163 -8.588 1.00 0.00 N ATOM 458 CA ALA A 29 0.521 1.369 -9.666 1.00 0.00 C ATOM 459 C ALA A 29 -0.479 0.372 -9.126 1.00 0.00 C ATOM 460 O ALA A 29 -1.575 0.198 -9.669 1.00 0.00 O ATOM 461 CB ALA A 29 1.629 0.679 -10.430 1.00 0.00 C ATOM 0 H ALA A 29 2.053 1.991 -8.394 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.001 2.027 -10.361 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.200 0.086 -11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.303 1.427 -10.848 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.184 0.026 -9.756 1.00 0.00 H new ATOM 467 N ALA A 30 -0.116 -0.229 -8.026 1.00 0.00 N ATOM 468 CA ALA A 30 -0.917 -1.220 -7.372 1.00 0.00 C ATOM 469 C ALA A 30 -2.229 -0.682 -6.870 1.00 0.00 C ATOM 470 O ALA A 30 -3.267 -1.286 -7.097 1.00 0.00 O ATOM 471 CB ALA A 30 -0.164 -1.770 -6.227 1.00 0.00 C ATOM 0 H ALA A 30 0.766 -0.037 -7.551 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.140 -1.988 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.767 -2.525 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.761 -2.223 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.071 -0.968 -5.527 1.00 0.00 H new ATOM 477 N MET A 31 -2.179 0.434 -6.167 1.00 0.00 N ATOM 478 CA MET A 31 -3.377 1.039 -5.575 1.00 0.00 C ATOM 479 C MET A 31 -4.448 1.342 -6.619 1.00 0.00 C ATOM 480 O MET A 31 -5.645 1.187 -6.349 1.00 0.00 O ATOM 481 CB MET A 31 -3.038 2.267 -4.712 1.00 0.00 C ATOM 482 CG MET A 31 -2.322 3.379 -5.442 1.00 0.00 C ATOM 483 SD MET A 31 -1.826 4.747 -4.373 1.00 0.00 S ATOM 484 CE MET A 31 -0.727 3.939 -3.204 1.00 0.00 C ATOM 0 H MET A 31 -1.318 0.950 -5.986 1.00 0.00 H new ATOM 0 HA MET A 31 -3.804 0.294 -4.903 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.962 2.664 -4.292 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.420 1.945 -3.874 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.437 2.971 -5.929 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.971 3.762 -6.229 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.116 4.594 -2.985 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.269 3.725 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.360 3.007 -3.634 1.00 0.00 H new ATOM 494 N ILE A 32 -4.020 1.687 -7.824 1.00 0.00 N ATOM 495 CA ILE A 32 -4.941 1.959 -8.920 1.00 0.00 C ATOM 496 C ILE A 32 -5.697 0.675 -9.289 1.00 0.00 C ATOM 497 O ILE A 32 -6.911 0.682 -9.535 1.00 0.00 O ATOM 498 CB ILE A 32 -4.180 2.499 -10.170 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.452 3.822 -9.853 1.00 0.00 C ATOM 500 CG2 ILE A 32 -5.117 2.675 -11.365 1.00 0.00 C ATOM 501 CD1 ILE A 32 -4.360 4.959 -9.408 1.00 0.00 C ATOM 0 H ILE A 32 -3.035 1.786 -8.070 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.648 2.722 -8.594 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.431 1.753 -10.438 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.715 3.637 -9.071 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.903 4.140 -10.739 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.552 3.053 -12.218 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.563 1.714 -11.622 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.904 3.384 -11.109 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.760 5.847 -9.208 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.081 5.178 -10.195 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.890 4.668 -8.501 1.00 0.00 H new ATOM 513 N GLU A 33 -4.989 -0.427 -9.266 1.00 0.00 N ATOM 514 CA GLU A 33 -5.556 -1.704 -9.612 1.00 0.00 C ATOM 515 C GLU A 33 -6.363 -2.270 -8.442 1.00 0.00 C ATOM 516 O GLU A 33 -7.386 -2.915 -8.635 1.00 0.00 O ATOM 517 CB GLU A 33 -4.453 -2.668 -10.048 1.00 0.00 C ATOM 518 CG GLU A 33 -3.624 -2.157 -11.221 1.00 0.00 C ATOM 519 CD GLU A 33 -4.463 -1.850 -12.437 1.00 0.00 C ATOM 520 OE1 GLU A 33 -4.720 -2.766 -13.252 1.00 0.00 O ATOM 521 OE2 GLU A 33 -4.900 -0.694 -12.603 1.00 0.00 O ATOM 0 H GLU A 33 -4.003 -0.463 -9.007 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.241 -1.572 -10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.792 -2.857 -9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.903 -3.623 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.089 -1.257 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.873 -2.902 -11.482 1.00 0.00 H new ATOM 528 N LYS A 34 -5.934 -1.956 -7.227 1.00 0.00 N ATOM 529 CA LYS A 34 -6.605 -2.418 -6.006 1.00 0.00 C ATOM 530 C LYS A 34 -7.981 -1.811 -5.869 1.00 0.00 C ATOM 531 O LYS A 34 -8.841 -2.358 -5.198 1.00 0.00 O ATOM 532 CB LYS A 34 -5.748 -2.130 -4.786 1.00 0.00 C ATOM 533 CG LYS A 34 -4.569 -3.071 -4.654 1.00 0.00 C ATOM 534 CD LYS A 34 -3.466 -2.456 -3.855 1.00 0.00 C ATOM 535 CE LYS A 34 -2.282 -3.370 -3.758 1.00 0.00 C ATOM 536 NZ LYS A 34 -1.222 -2.763 -2.962 1.00 0.00 N ATOM 0 H LYS A 34 -5.113 -1.375 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.736 -3.497 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.383 -1.104 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.365 -2.202 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.892 -3.997 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.199 -3.334 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.164 -1.515 -4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.828 -2.220 -2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.583 -4.316 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.909 -3.596 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.634 -3.510 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.632 -2.161 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.643 -2.185 -2.207 1.00 0.00 H new ATOM 550 N LYS A 35 -8.184 -0.694 -6.554 1.00 0.00 N ATOM 551 CA LYS A 35 -9.460 0.000 -6.593 1.00 0.00 C ATOM 552 C LYS A 35 -10.553 -0.905 -7.194 1.00 0.00 C ATOM 553 O LYS A 35 -11.749 -0.759 -6.883 1.00 0.00 O ATOM 554 CB LYS A 35 -9.303 1.291 -7.422 1.00 0.00 C ATOM 555 CG LYS A 35 -10.605 1.961 -7.824 1.00 0.00 C ATOM 556 CD LYS A 35 -10.357 3.221 -8.628 1.00 0.00 C ATOM 557 CE LYS A 35 -11.630 3.706 -9.304 1.00 0.00 C ATOM 558 NZ LYS A 35 -12.745 3.900 -8.356 1.00 0.00 N ATOM 0 H LYS A 35 -7.456 -0.240 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.765 0.257 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.708 2.002 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.738 1.058 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.207 1.267 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.180 2.205 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.970 4.002 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.593 3.029 -9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.428 4.646 -9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.928 2.986 -10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.422 4.584 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.225 2.992 -8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.375 4.261 -7.454 1.00 0.00 H new ATOM 572 N ALA A 36 -10.131 -1.858 -8.021 1.00 0.00 N ATOM 573 CA ALA A 36 -11.045 -2.752 -8.672 1.00 0.00 C ATOM 574 C ALA A 36 -11.589 -3.768 -7.681 1.00 0.00 C ATOM 575 O ALA A 36 -12.807 -3.932 -7.564 1.00 0.00 O ATOM 576 CB ALA A 36 -10.383 -3.447 -9.855 1.00 0.00 C ATOM 0 H ALA A 36 -9.150 -2.020 -8.248 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.879 -2.166 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.099 -4.118 -10.330 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.052 -2.700 -10.577 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.524 -4.020 -9.506 1.00 0.00 H new ATOM 582 N ARG A 37 -10.702 -4.413 -6.922 1.00 0.00 N ATOM 583 CA ARG A 37 -11.132 -5.425 -5.965 1.00 0.00 C ATOM 584 C ARG A 37 -10.006 -5.772 -4.997 1.00 0.00 C ATOM 585 O ARG A 37 -10.049 -5.407 -3.841 1.00 0.00 O ATOM 586 CB ARG A 37 -11.580 -6.681 -6.698 1.00 0.00 C ATOM 587 CG ARG A 37 -12.379 -7.650 -5.853 1.00 0.00 C ATOM 588 CD ARG A 37 -12.811 -8.842 -6.678 1.00 0.00 C ATOM 589 NE ARG A 37 -13.527 -8.437 -7.906 1.00 0.00 N ATOM 590 CZ ARG A 37 -13.932 -9.275 -8.867 1.00 0.00 C ATOM 591 NH1 ARG A 37 -13.827 -10.591 -8.695 1.00 0.00 N ATOM 592 NH2 ARG A 37 -14.469 -8.789 -9.981 1.00 0.00 N ATOM 0 H ARG A 37 -9.695 -4.254 -6.952 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.968 -5.019 -5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.181 -6.389 -7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.699 -7.195 -7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.779 -7.984 -5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.255 -7.147 -5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.935 -9.433 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.456 -9.484 -6.078 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.727 -7.445 -8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.437 -10.963 -7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.137 -11.228 -9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.571 -7.781 -10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.779 -9.424 -10.717 1.00 0.00 H new ATOM 606 N ARG A 38 -8.999 -6.464 -5.497 1.00 0.00 N ATOM 607 CA ARG A 38 -7.858 -6.899 -4.703 1.00 0.00 C ATOM 608 C ARG A 38 -6.746 -7.303 -5.646 1.00 0.00 C ATOM 609 O ARG A 38 -6.874 -8.291 -6.358 1.00 0.00 O ATOM 610 CB ARG A 38 -8.223 -8.080 -3.780 1.00 0.00 C ATOM 611 CG ARG A 38 -7.031 -8.660 -3.009 1.00 0.00 C ATOM 612 CD ARG A 38 -7.457 -9.670 -1.949 1.00 0.00 C ATOM 613 NE ARG A 38 -8.226 -10.789 -2.486 1.00 0.00 N ATOM 614 CZ ARG A 38 -8.760 -11.773 -1.740 1.00 0.00 C ATOM 615 NH1 ARG A 38 -8.534 -11.827 -0.424 1.00 0.00 N ATOM 616 NH2 ARG A 38 -9.509 -12.701 -2.311 1.00 0.00 N ATOM 0 H ARG A 38 -8.947 -6.744 -6.476 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.538 -6.076 -4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.978 -7.750 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.674 -8.871 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.348 -9.140 -3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.481 -7.848 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.569 -10.057 -1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.053 -9.160 -1.192 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.368 -10.827 -3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.952 -11.118 0.023 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.943 -12.577 0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.681 -12.670 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.914 -13.448 -1.747 1.00 0.00 H new ATOM 630 N VAL A 39 -5.682 -6.549 -5.674 1.00 0.00 N ATOM 631 CA VAL A 39 -4.591 -6.825 -6.602 1.00 0.00 C ATOM 632 C VAL A 39 -3.241 -6.851 -5.877 1.00 0.00 C ATOM 633 O VAL A 39 -3.068 -6.192 -4.831 1.00 0.00 O ATOM 634 CB VAL A 39 -4.580 -5.761 -7.760 1.00 0.00 C ATOM 635 CG1 VAL A 39 -3.426 -5.970 -8.743 1.00 0.00 C ATOM 636 CG2 VAL A 39 -5.897 -5.790 -8.520 1.00 0.00 C ATOM 0 H VAL A 39 -5.536 -5.739 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.754 -7.812 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.441 -4.789 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.468 -5.207 -9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.477 -5.895 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.510 -6.957 -9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.873 -5.048 -9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.047 -6.780 -8.950 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.716 -5.563 -7.838 1.00 0.00 H new ATOM 646 N VAL A 40 -2.320 -7.637 -6.404 1.00 0.00 N ATOM 647 CA VAL A 40 -0.978 -7.743 -5.880 1.00 0.00 C ATOM 648 C VAL A 40 -0.016 -6.955 -6.769 1.00 0.00 C ATOM 649 O VAL A 40 -0.227 -6.825 -7.978 1.00 0.00 O ATOM 650 CB VAL A 40 -0.507 -9.245 -5.758 1.00 0.00 C ATOM 651 CG1 VAL A 40 -0.564 -9.961 -7.098 1.00 0.00 C ATOM 652 CG2 VAL A 40 0.904 -9.361 -5.167 1.00 0.00 C ATOM 0 H VAL A 40 -2.489 -8.226 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.976 -7.323 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.204 -9.728 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.233 -10.992 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.588 -9.951 -7.472 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.087 -9.454 -7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.186 -10.412 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.611 -8.835 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.919 -8.919 -4.171 1.00 0.00 H new ATOM 662 N HIS A 41 1.005 -6.412 -6.178 1.00 0.00 N ATOM 663 CA HIS A 41 1.986 -5.696 -6.904 1.00 0.00 C ATOM 664 C HIS A 41 3.307 -6.179 -6.420 1.00 0.00 C ATOM 665 O HIS A 41 3.655 -6.018 -5.232 1.00 0.00 O ATOM 666 CB HIS A 41 1.824 -4.198 -6.691 1.00 0.00 C ATOM 667 CG HIS A 41 2.629 -3.300 -7.616 1.00 0.00 C ATOM 668 ND1 HIS A 41 3.848 -2.745 -7.448 1.00 0.00 N flip ATOM 669 CD2 HIS A 41 2.208 -2.898 -8.877 1.00 0.00 C flip ATOM 670 CE1 HIS A 41 4.192 -2.040 -8.588 1.00 0.00 C flip ATOM 671 NE2 HIS A 41 3.174 -2.165 -9.413 1.00 0.00 N flip ATOM 0 H HIS A 41 1.174 -6.459 -5.173 1.00 0.00 H new ATOM 0 HA HIS A 41 1.889 -5.864 -7.977 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.769 -3.948 -6.803 1.00 0.00 H new ATOM 0 HB3 HIS A 41 2.100 -3.966 -5.662 1.00 0.00 H new ATOM 0 HD1 HIS A 41 4.425 -2.832 -6.612 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.262 -3.140 -9.339 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.109 -1.498 -8.765 1.00 0.00 H new ATOM 679 N ILE A 42 3.978 -6.849 -7.285 1.00 0.00 N ATOM 680 CA ILE A 42 5.261 -7.378 -7.008 1.00 0.00 C ATOM 681 C ILE A 42 6.241 -6.245 -7.232 1.00 0.00 C ATOM 682 O ILE A 42 6.070 -5.465 -8.178 1.00 0.00 O ATOM 683 CB ILE A 42 5.609 -8.623 -7.905 1.00 0.00 C ATOM 684 CG1 ILE A 42 4.587 -9.778 -7.744 1.00 0.00 C ATOM 685 CG2 ILE A 42 7.006 -9.155 -7.599 1.00 0.00 C ATOM 686 CD1 ILE A 42 3.237 -9.575 -8.423 1.00 0.00 C ATOM 0 H ILE A 42 3.641 -7.049 -8.227 1.00 0.00 H new ATOM 0 HA ILE A 42 5.304 -7.749 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 42 5.567 -8.267 -8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.035 -10.691 -8.137 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.416 -9.939 -6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.215 -10.015 -8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.742 -8.374 -7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.059 -9.456 -6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.605 -10.445 -8.243 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.755 -8.686 -8.016 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.384 -9.449 -9.496 1.00 0.00 H new ATOM 698 N LYS A 43 7.211 -6.136 -6.342 1.00 0.00 N ATOM 699 CA LYS A 43 8.212 -5.073 -6.335 1.00 0.00 C ATOM 700 C LYS A 43 7.574 -3.723 -5.948 1.00 0.00 C ATOM 701 O LYS A 43 7.575 -2.781 -6.747 1.00 0.00 O ATOM 702 CB LYS A 43 8.993 -4.948 -7.668 1.00 0.00 C ATOM 703 CG LYS A 43 9.759 -6.189 -8.067 1.00 0.00 C ATOM 704 CD LYS A 43 10.550 -5.974 -9.334 1.00 0.00 C ATOM 705 CE LYS A 43 11.322 -7.220 -9.719 1.00 0.00 C ATOM 706 NZ LYS A 43 12.192 -6.990 -10.889 1.00 0.00 N ATOM 0 H LYS A 43 7.331 -6.803 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 43 8.945 -5.354 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.291 -4.699 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.692 -4.116 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.434 -6.475 -7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.063 -7.016 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.875 -5.697 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.242 -5.143 -9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.929 -7.546 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.623 -8.026 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.702 -7.866 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.611 -6.703 -11.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.876 -6.238 -10.670 1.00 0.00 H new ATOM 720 N PRO A 44 6.957 -3.623 -4.737 1.00 0.00 N ATOM 721 CA PRO A 44 6.370 -2.384 -4.274 1.00 0.00 C ATOM 722 C PRO A 44 7.444 -1.433 -3.738 1.00 0.00 C ATOM 723 O PRO A 44 8.580 -1.841 -3.472 1.00 0.00 O ATOM 724 CB PRO A 44 5.438 -2.834 -3.154 1.00 0.00 C ATOM 725 CG PRO A 44 6.136 -4.008 -2.577 1.00 0.00 C ATOM 726 CD PRO A 44 6.765 -4.702 -3.742 1.00 0.00 C ATOM 0 HA PRO A 44 5.857 -1.836 -5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.293 -2.049 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.452 -3.100 -3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.887 -3.701 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.438 -4.665 -2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.713 -5.165 -3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.124 -5.494 -4.130 1.00 0.00 H new ATOM 734 N GLY A 45 7.080 -0.193 -3.558 1.00 0.00 N ATOM 735 CA GLY A 45 8.023 0.785 -3.112 1.00 0.00 C ATOM 736 C GLY A 45 7.316 1.971 -2.578 1.00 0.00 C ATOM 737 O GLY A 45 7.469 3.091 -3.075 1.00 0.00 O ATOM 0 H GLY A 45 6.136 0.160 -3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.664 0.357 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.670 1.080 -3.938 1.00 0.00 H new ATOM 741 N GLU A 46 6.428 1.719 -1.682 1.00 0.00 N ATOM 742 CA GLU A 46 5.713 2.758 -1.041 1.00 0.00 C ATOM 743 C GLU A 46 6.035 2.771 0.456 1.00 0.00 C ATOM 744 O GLU A 46 6.429 1.755 1.028 1.00 0.00 O ATOM 745 CB GLU A 46 4.213 2.533 -1.285 1.00 0.00 C ATOM 746 CG GLU A 46 3.459 1.623 -0.276 1.00 0.00 C ATOM 747 CD GLU A 46 3.975 0.194 -0.193 1.00 0.00 C ATOM 748 OE1 GLU A 46 4.742 -0.232 -1.070 1.00 0.00 O ATOM 749 OE2 GLU A 46 3.642 -0.514 0.783 1.00 0.00 O ATOM 0 H GLU A 46 6.178 0.780 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 46 6.003 3.727 -1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.722 3.506 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.093 2.106 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.521 2.074 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.404 1.598 -0.550 1.00 0.00 H new ATOM 756 N LYS A 47 5.934 3.926 1.034 1.00 0.00 N ATOM 757 CA LYS A 47 6.105 4.141 2.458 1.00 0.00 C ATOM 758 C LYS A 47 5.038 5.085 2.811 1.00 0.00 C ATOM 759 O LYS A 47 5.253 6.244 3.145 1.00 0.00 O ATOM 760 CB LYS A 47 7.483 4.689 2.908 1.00 0.00 C ATOM 761 CG LYS A 47 8.547 4.715 1.851 1.00 0.00 C ATOM 762 CD LYS A 47 8.308 5.872 0.935 1.00 0.00 C ATOM 763 CE LYS A 47 9.061 5.729 -0.333 1.00 0.00 C ATOM 764 NZ LYS A 47 10.510 5.905 -0.139 1.00 0.00 N ATOM 0 H LYS A 47 5.723 4.782 0.521 1.00 0.00 H new ATOM 0 HA LYS A 47 6.055 3.180 2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.345 5.703 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.839 4.085 3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.531 4.799 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.538 3.782 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.243 5.952 0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.603 6.797 1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.870 4.744 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.700 6.463 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.026 5.310 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.762 6.902 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.767 5.627 0.830 1.00 0.00 H new ATOM 778 N ILE A 48 3.880 4.615 2.567 1.00 0.00 N ATOM 779 CA ILE A 48 2.704 5.339 2.774 1.00 0.00 C ATOM 780 C ILE A 48 2.460 5.533 4.244 1.00 0.00 C ATOM 781 O ILE A 48 2.337 4.576 5.014 1.00 0.00 O ATOM 782 CB ILE A 48 1.479 4.707 2.044 1.00 0.00 C ATOM 783 CG1 ILE A 48 1.191 3.270 2.528 1.00 0.00 C ATOM 784 CG2 ILE A 48 1.739 4.708 0.543 1.00 0.00 C ATOM 785 CD1 ILE A 48 -0.054 2.648 1.917 1.00 0.00 C ATOM 0 H ILE A 48 3.724 3.675 2.202 1.00 0.00 H new ATOM 0 HA ILE A 48 2.835 6.324 2.325 1.00 0.00 H new ATOM 0 HB ILE A 48 0.600 5.307 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.050 2.641 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.086 3.278 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.887 4.267 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.882 5.732 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.635 4.125 0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.186 1.639 2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.925 3.253 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.055 2.606 0.833 1.00 0.00 H new ATOM 797 N LEU A 49 2.573 6.775 4.634 1.00 0.00 N ATOM 798 CA LEU A 49 2.326 7.296 5.980 1.00 0.00 C ATOM 799 C LEU A 49 3.438 6.971 6.958 1.00 0.00 C ATOM 800 O LEU A 49 3.575 7.615 7.996 1.00 0.00 O ATOM 801 CB LEU A 49 0.950 6.883 6.566 1.00 0.00 C ATOM 802 CG LEU A 49 -0.302 7.050 5.675 1.00 0.00 C ATOM 803 CD1 LEU A 49 -0.174 8.190 4.685 1.00 0.00 C ATOM 804 CD2 LEU A 49 -0.706 5.742 5.015 1.00 0.00 C ATOM 0 H LEU A 49 2.858 7.510 3.987 1.00 0.00 H new ATOM 0 HA LEU A 49 2.306 8.378 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.013 5.835 6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.790 7.459 7.477 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.119 7.331 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.084 8.257 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.024 9.125 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.678 8.009 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.590 5.904 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.112 5.382 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.930 5.001 5.783 1.00 0.00 H new ATOM 816 N GLY A 50 4.217 5.993 6.614 1.00 0.00 N ATOM 817 CA GLY A 50 5.273 5.526 7.466 1.00 0.00 C ATOM 818 C GLY A 50 4.811 4.284 8.192 1.00 0.00 C ATOM 819 O GLY A 50 5.590 3.591 8.844 1.00 0.00 O ATOM 0 H GLY A 50 4.140 5.491 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.163 5.307 6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.548 6.300 8.183 1.00 0.00 H new ATOM 823 N ALA A 51 3.531 4.026 8.061 1.00 0.00 N ATOM 824 CA ALA A 51 2.849 2.899 8.603 1.00 0.00 C ATOM 825 C ALA A 51 1.591 2.822 7.805 1.00 0.00 C ATOM 826 O ALA A 51 0.806 3.780 7.813 1.00 0.00 O ATOM 827 CB ALA A 51 2.533 3.113 10.083 1.00 0.00 C ATOM 0 H ALA A 51 2.909 4.643 7.538 1.00 0.00 H new ATOM 0 HA ALA A 51 3.442 1.986 8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.012 2.239 10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.461 3.260 10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.900 3.993 10.196 1.00 0.00 H new ATOM 833 N ARG A 52 1.414 1.764 7.055 1.00 0.00 N ATOM 834 CA ARG A 52 0.246 1.679 6.219 1.00 0.00 C ATOM 835 C ARG A 52 -1.033 1.545 6.986 1.00 0.00 C ATOM 836 O ARG A 52 -1.208 0.654 7.814 1.00 0.00 O ATOM 837 CB ARG A 52 0.324 0.643 5.103 1.00 0.00 C ATOM 838 CG ARG A 52 0.555 -0.799 5.517 1.00 0.00 C ATOM 839 CD ARG A 52 0.249 -1.714 4.344 1.00 0.00 C ATOM 840 NE ARG A 52 0.898 -1.237 3.114 1.00 0.00 N ATOM 841 CZ ARG A 52 0.309 -1.127 1.907 1.00 0.00 C ATOM 842 NH1 ARG A 52 -0.981 -1.472 1.739 1.00 0.00 N ATOM 843 NH2 ARG A 52 1.010 -0.694 0.882 1.00 0.00 N ATOM 0 H ARG A 52 2.048 0.967 7.006 1.00 0.00 H new ATOM 0 HA ARG A 52 0.234 2.650 5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.605 0.688 4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.127 0.934 4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.587 -0.936 5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.081 -1.052 6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.589 -2.725 4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.829 -1.767 4.192 1.00 0.00 H new ATOM 0 HE ARG A 52 1.879 -0.966 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.523 -1.821 2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.417 -1.385 0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.991 -0.445 1.004 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.572 -0.608 -0.035 1.00 0.00 H new ATOM 857 N ILE A 53 -1.892 2.463 6.718 1.00 0.00 N ATOM 858 CA ILE A 53 -3.205 2.522 7.280 1.00 0.00 C ATOM 859 C ILE A 53 -4.101 2.874 6.138 1.00 0.00 C ATOM 860 O ILE A 53 -3.808 3.812 5.423 1.00 0.00 O ATOM 861 CB ILE A 53 -3.321 3.629 8.371 1.00 0.00 C ATOM 862 CG1 ILE A 53 -2.327 3.373 9.524 1.00 0.00 C ATOM 863 CG2 ILE A 53 -4.760 3.712 8.907 1.00 0.00 C ATOM 864 CD1 ILE A 53 -2.374 4.397 10.640 1.00 0.00 C ATOM 0 H ILE A 53 -1.696 3.229 6.074 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.460 1.576 7.758 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.068 4.585 7.911 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.526 2.388 9.945 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.317 3.347 9.116 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.821 4.490 9.668 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.440 3.950 8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.041 2.754 9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.642 4.136 11.405 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.143 5.384 10.238 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.371 4.409 11.081 1.00 0.00 H new ATOM 876 N ILE A 54 -5.147 2.115 5.941 1.00 0.00 N ATOM 877 CA ILE A 54 -6.056 2.347 4.832 1.00 0.00 C ATOM 878 C ILE A 54 -6.873 3.602 5.099 1.00 0.00 C ATOM 879 O ILE A 54 -7.172 4.360 4.210 1.00 0.00 O ATOM 880 CB ILE A 54 -7.010 1.119 4.626 1.00 0.00 C ATOM 881 CG1 ILE A 54 -6.202 -0.189 4.450 1.00 0.00 C ATOM 882 CG2 ILE A 54 -7.955 1.320 3.439 1.00 0.00 C ATOM 883 CD1 ILE A 54 -5.228 -0.185 3.285 1.00 0.00 C ATOM 0 H ILE A 54 -5.398 1.324 6.534 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.471 2.479 3.922 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.619 1.037 5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.647 -0.383 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.900 -1.016 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.597 0.446 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.570 2.204 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.372 1.454 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.708 -1.142 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.774 -0.026 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.502 0.616 3.421 1.00 0.00 H new ATOM 895 N GLY A 55 -7.232 3.800 6.333 1.00 0.00 N ATOM 896 CA GLY A 55 -8.031 4.945 6.686 1.00 0.00 C ATOM 897 C GLY A 55 -9.445 4.511 6.824 1.00 0.00 C ATOM 898 O GLY A 55 -10.178 4.975 7.686 1.00 0.00 O ATOM 0 H GLY A 55 -6.988 3.189 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.676 5.381 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.945 5.717 5.921 1.00 0.00 H new ATOM 902 N ILE A 56 -9.809 3.581 5.983 1.00 0.00 N ATOM 903 CA ILE A 56 -11.101 2.999 6.000 1.00 0.00 C ATOM 904 C ILE A 56 -10.989 1.772 6.857 1.00 0.00 C ATOM 905 O ILE A 56 -10.129 0.921 6.581 1.00 0.00 O ATOM 906 CB ILE A 56 -11.566 2.539 4.590 1.00 0.00 C ATOM 907 CG1 ILE A 56 -11.544 3.695 3.580 1.00 0.00 C ATOM 908 CG2 ILE A 56 -12.969 1.926 4.674 1.00 0.00 C ATOM 909 CD1 ILE A 56 -11.966 3.294 2.180 1.00 0.00 C ATOM 0 H ILE A 56 -9.196 3.208 5.258 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.819 3.734 6.364 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.865 1.783 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.203 4.487 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.537 4.111 3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.287 1.607 3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.951 1.066 5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.668 2.669 5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.925 4.164 1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.293 2.524 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -12.984 2.906 2.204 1.00 0.00 H new ATOM 921 N PRO A 57 -11.755 1.684 7.939 1.00 0.00 N ATOM 922 CA PRO A 57 -11.759 0.506 8.791 1.00 0.00 C ATOM 923 C PRO A 57 -12.363 -0.686 8.036 1.00 0.00 C ATOM 924 O PRO A 57 -13.552 -0.673 7.680 1.00 0.00 O ATOM 925 CB PRO A 57 -12.665 0.903 9.964 1.00 0.00 C ATOM 926 CG PRO A 57 -12.750 2.388 9.902 1.00 0.00 C ATOM 927 CD PRO A 57 -12.647 2.737 8.456 1.00 0.00 C ATOM 0 HA PRO A 57 -10.760 0.208 9.110 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.651 0.447 9.873 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.248 0.571 10.915 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.689 2.745 10.325 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.946 2.851 10.475 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.620 2.723 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.229 3.733 8.307 1.00 0.00 H new ATOM 935 N PRO A 58 -11.559 -1.691 7.703 1.00 0.00 N ATOM 936 CA PRO A 58 -12.023 -2.848 6.999 1.00 0.00 C ATOM 937 C PRO A 58 -12.214 -4.028 7.939 1.00 0.00 C ATOM 938 O PRO A 58 -12.079 -3.894 9.164 1.00 0.00 O ATOM 939 CB PRO A 58 -10.848 -3.123 6.049 1.00 0.00 C ATOM 940 CG PRO A 58 -9.626 -2.557 6.742 1.00 0.00 C ATOM 941 CD PRO A 58 -10.115 -1.787 7.952 1.00 0.00 C ATOM 0 HA PRO A 58 -12.985 -2.701 6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.735 -4.191 5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.006 -2.647 5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.949 -3.357 7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.070 -1.904 6.069 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.897 -2.312 8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.649 -0.804 8.024 1.00 0.00 H new ATOM 949 N VAL A 59 -12.559 -5.154 7.377 1.00 0.00 N ATOM 950 CA VAL A 59 -12.697 -6.369 8.140 1.00 0.00 C ATOM 951 C VAL A 59 -11.283 -6.915 8.347 1.00 0.00 C ATOM 952 O VAL A 59 -10.632 -7.257 7.380 1.00 0.00 O ATOM 953 CB VAL A 59 -13.554 -7.407 7.380 1.00 0.00 C ATOM 954 CG1 VAL A 59 -13.743 -8.665 8.212 1.00 0.00 C ATOM 955 CG2 VAL A 59 -14.901 -6.810 7.008 1.00 0.00 C ATOM 0 H VAL A 59 -12.752 -5.258 6.381 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.196 -6.170 9.089 1.00 0.00 H new ATOM 0 HB VAL A 59 -13.028 -7.680 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.349 -9.381 7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.770 -9.106 8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.245 -8.412 9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.493 -7.553 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -15.428 -6.509 7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.749 -5.939 6.370 1.00 0.00 H new ATOM 965 N PRO A 60 -10.774 -6.955 9.588 1.00 0.00 N ATOM 966 CA PRO A 60 -9.374 -7.331 9.875 1.00 0.00 C ATOM 967 C PRO A 60 -9.048 -8.830 9.712 1.00 0.00 C ATOM 968 O PRO A 60 -8.477 -9.439 10.612 1.00 0.00 O ATOM 969 CB PRO A 60 -9.189 -6.918 11.354 1.00 0.00 C ATOM 970 CG PRO A 60 -10.405 -6.140 11.715 1.00 0.00 C ATOM 971 CD PRO A 60 -11.493 -6.635 10.825 1.00 0.00 C ATOM 0 HA PRO A 60 -8.707 -6.844 9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.082 -7.794 11.994 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.289 -6.317 11.482 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.663 -6.285 12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.241 -5.072 11.572 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.991 -7.510 11.242 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.260 -5.878 10.663 1.00 0.00 H new ATOM 979 N ILE A 61 -9.356 -9.420 8.577 1.00 0.00 N ATOM 980 CA ILE A 61 -9.014 -10.806 8.361 1.00 0.00 C ATOM 981 C ILE A 61 -7.934 -10.835 7.274 1.00 0.00 C ATOM 982 O ILE A 61 -7.830 -9.892 6.499 1.00 0.00 O ATOM 983 CB ILE A 61 -10.275 -11.642 7.957 1.00 0.00 C ATOM 984 CG1 ILE A 61 -11.332 -11.571 9.076 1.00 0.00 C ATOM 985 CG2 ILE A 61 -9.914 -13.101 7.676 1.00 0.00 C ATOM 986 CD1 ILE A 61 -12.622 -12.309 8.769 1.00 0.00 C ATOM 0 H ILE A 61 -9.837 -8.967 7.800 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.636 -11.262 9.276 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.682 -11.214 7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.903 -11.980 9.991 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -11.565 -10.525 9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.813 -13.651 7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.194 -13.147 6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.477 -13.546 8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -13.308 -12.207 9.609 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -13.079 -11.887 7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -12.407 -13.364 8.603 1.00 0.00 H new ATOM 998 N GLY A 62 -7.102 -11.848 7.237 1.00 0.00 N ATOM 999 CA GLY A 62 -6.100 -11.894 6.213 1.00 0.00 C ATOM 1000 C GLY A 62 -4.857 -12.609 6.630 1.00 0.00 C ATOM 1001 O GLY A 62 -4.715 -13.003 7.800 1.00 0.00 O ATOM 0 H GLY A 62 -7.101 -12.632 7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.514 -12.384 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.844 -10.876 5.920 1.00 0.00 H new ATOM 1005 N ILE A 63 -3.956 -12.795 5.686 1.00 0.00 N ATOM 1006 CA ILE A 63 -2.705 -13.455 5.944 1.00 0.00 C ATOM 1007 C ILE A 63 -1.552 -12.526 5.573 1.00 0.00 C ATOM 1008 O ILE A 63 -1.116 -12.475 4.405 1.00 0.00 O ATOM 1009 CB ILE A 63 -2.570 -14.777 5.142 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -3.795 -15.667 5.363 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -1.299 -15.525 5.561 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -3.793 -16.922 4.529 1.00 0.00 C ATOM 0 H ILE A 63 -4.077 -12.490 4.720 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.674 -13.699 7.006 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.504 -14.530 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.847 -15.942 6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.694 -15.094 5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.217 -16.450 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.428 -14.900 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.348 -15.758 6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.692 -17.501 4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.773 -16.656 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.913 -17.518 4.770 1.00 0.00 H new ATOM 1024 N ASP A 64 -1.104 -11.756 6.529 1.00 0.00 N ATOM 1025 CA ASP A 64 0.018 -10.856 6.321 1.00 0.00 C ATOM 1026 C ASP A 64 1.277 -11.601 6.650 1.00 0.00 C ATOM 1027 O ASP A 64 1.598 -11.813 7.829 1.00 0.00 O ATOM 1028 CB ASP A 64 -0.080 -9.588 7.186 1.00 0.00 C ATOM 1029 CG ASP A 64 -1.253 -8.699 6.850 1.00 0.00 C ATOM 1030 OD1 ASP A 64 -2.330 -8.879 7.444 1.00 0.00 O ATOM 1031 OD2 ASP A 64 -1.110 -7.784 6.023 1.00 0.00 O ATOM 0 H ASP A 64 -1.497 -11.729 7.470 1.00 0.00 H new ATOM 0 HA ASP A 64 0.014 -10.528 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.149 -9.881 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.840 -9.014 7.075 1.00 0.00 H new ATOM 1036 N GLU A 65 1.955 -12.048 5.628 1.00 0.00 N ATOM 1037 CA GLU A 65 3.159 -12.831 5.780 1.00 0.00 C ATOM 1038 C GLU A 65 4.362 -11.957 6.038 1.00 0.00 C ATOM 1039 O GLU A 65 4.872 -11.902 7.144 1.00 0.00 O ATOM 1040 CB GLU A 65 3.374 -13.680 4.532 1.00 0.00 C ATOM 1041 CG GLU A 65 2.319 -14.748 4.324 1.00 0.00 C ATOM 1042 CD GLU A 65 2.438 -15.872 5.326 1.00 0.00 C ATOM 1043 OE1 GLU A 65 2.220 -15.650 6.531 1.00 0.00 O ATOM 1044 OE2 GLU A 65 2.748 -16.998 4.921 1.00 0.00 O ATOM 0 H GLU A 65 1.689 -11.880 4.658 1.00 0.00 H new ATOM 0 HA GLU A 65 3.039 -13.481 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.392 -13.027 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.352 -14.157 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.329 -14.298 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.408 -15.152 3.316 1.00 0.00 H new ATOM 1051 N GLU A 66 4.762 -11.247 5.035 1.00 0.00 N ATOM 1052 CA GLU A 66 5.917 -10.395 5.087 1.00 0.00 C ATOM 1053 C GLU A 66 5.799 -9.437 3.918 1.00 0.00 C ATOM 1054 O GLU A 66 4.913 -9.603 3.084 1.00 0.00 O ATOM 1055 CB GLU A 66 7.222 -11.268 5.031 1.00 0.00 C ATOM 1056 CG GLU A 66 8.564 -10.515 5.069 1.00 0.00 C ATOM 1057 CD GLU A 66 8.681 -9.553 6.226 1.00 0.00 C ATOM 1058 OE1 GLU A 66 8.158 -8.431 6.111 1.00 0.00 O ATOM 1059 OE2 GLU A 66 9.296 -9.893 7.242 1.00 0.00 O ATOM 0 H GLU A 66 4.287 -11.239 4.132 1.00 0.00 H new ATOM 0 HA GLU A 66 5.974 -9.826 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.200 -11.965 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.193 -11.864 4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.377 -11.239 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.690 -9.966 4.136 1.00 0.00 H new ATOM 1066 N ARG A 67 6.649 -8.454 3.874 1.00 0.00 N ATOM 1067 CA ARG A 67 6.663 -7.443 2.844 1.00 0.00 C ATOM 1068 C ARG A 67 7.180 -8.086 1.554 1.00 0.00 C ATOM 1069 O ARG A 67 6.809 -7.712 0.440 1.00 0.00 O ATOM 1070 CB ARG A 67 7.640 -6.353 3.299 1.00 0.00 C ATOM 1071 CG ARG A 67 7.351 -4.929 2.837 1.00 0.00 C ATOM 1072 CD ARG A 67 7.284 -4.782 1.334 1.00 0.00 C ATOM 1073 NE ARG A 67 7.436 -3.376 0.933 1.00 0.00 N ATOM 1074 CZ ARG A 67 6.466 -2.470 0.747 1.00 0.00 C ATOM 1075 NH1 ARG A 67 5.190 -2.762 0.975 1.00 0.00 N ATOM 1076 NH2 ARG A 67 6.791 -1.252 0.367 1.00 0.00 N ATOM 0 H ARG A 67 7.378 -8.325 4.575 1.00 0.00 H new ATOM 0 HA ARG A 67 5.672 -7.023 2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.668 -6.357 4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.637 -6.626 2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.405 -4.601 3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.125 -4.266 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.068 -5.382 0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.331 -5.166 0.970 1.00 0.00 H new ATOM 0 HE ARG A 67 8.391 -3.052 0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.930 -3.693 1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.470 -2.055 0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.770 -1.008 0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.064 -0.552 0.222 1.00 0.00 H new ATOM 1090 N SER A 68 8.010 -9.063 1.735 1.00 0.00 N ATOM 1091 CA SER A 68 8.650 -9.768 0.664 1.00 0.00 C ATOM 1092 C SER A 68 7.944 -11.077 0.371 1.00 0.00 C ATOM 1093 O SER A 68 8.516 -12.029 -0.163 1.00 0.00 O ATOM 1094 CB SER A 68 10.080 -9.984 1.055 1.00 0.00 C ATOM 1095 OG SER A 68 10.646 -8.736 1.421 1.00 0.00 O ATOM 0 H SER A 68 8.271 -9.405 2.660 1.00 0.00 H new ATOM 0 HA SER A 68 8.602 -9.186 -0.256 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.142 -10.685 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.636 -10.422 0.226 1.00 0.00 H new ATOM 0 HG SER A 68 11.495 -8.611 0.948 1.00 0.00 H new ATOM 1101 N THR A 69 6.704 -11.083 0.661 1.00 0.00 N ATOM 1102 CA THR A 69 5.862 -12.227 0.494 1.00 0.00 C ATOM 1103 C THR A 69 4.485 -11.675 0.186 1.00 0.00 C ATOM 1104 O THR A 69 4.231 -10.513 0.483 1.00 0.00 O ATOM 1105 CB THR A 69 5.810 -13.043 1.815 1.00 0.00 C ATOM 1106 OG1 THR A 69 7.137 -13.225 2.332 1.00 0.00 O ATOM 1107 CG2 THR A 69 5.192 -14.420 1.594 1.00 0.00 C ATOM 0 H THR A 69 6.217 -10.269 1.036 1.00 0.00 H new ATOM 0 HA THR A 69 6.227 -12.886 -0.294 1.00 0.00 H new ATOM 0 HB THR A 69 5.196 -12.483 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.115 -13.868 3.071 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.171 -14.965 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.175 -14.306 1.217 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.788 -14.974 0.869 1.00 0.00 H new ATOM 1115 N VAL A 70 3.620 -12.449 -0.411 1.00 0.00 N ATOM 1116 CA VAL A 70 2.306 -11.948 -0.712 1.00 0.00 C ATOM 1117 C VAL A 70 1.455 -11.858 0.540 1.00 0.00 C ATOM 1118 O VAL A 70 1.197 -12.855 1.234 1.00 0.00 O ATOM 1119 CB VAL A 70 1.548 -12.753 -1.826 1.00 0.00 C ATOM 1120 CG1 VAL A 70 2.253 -12.661 -3.161 1.00 0.00 C ATOM 1121 CG2 VAL A 70 1.332 -14.206 -1.440 1.00 0.00 C ATOM 0 H VAL A 70 3.796 -13.413 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 70 2.468 -10.949 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 70 0.567 -12.288 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.698 -13.231 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.310 -11.618 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.260 -13.068 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.804 -14.721 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.297 -14.686 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.740 -14.256 -0.526 1.00 0.00 H new ATOM 1131 N MET A 71 1.114 -10.668 0.889 1.00 0.00 N ATOM 1132 CA MET A 71 0.240 -10.460 1.998 1.00 0.00 C ATOM 1133 C MET A 71 -1.161 -10.392 1.437 1.00 0.00 C ATOM 1134 O MET A 71 -1.563 -9.388 0.872 1.00 0.00 O ATOM 1135 CB MET A 71 0.613 -9.199 2.828 1.00 0.00 C ATOM 1136 CG MET A 71 0.665 -7.885 2.048 1.00 0.00 C ATOM 1137 SD MET A 71 1.046 -6.451 3.077 1.00 0.00 S ATOM 1138 CE MET A 71 2.648 -6.921 3.727 1.00 0.00 C ATOM 0 H MET A 71 1.427 -9.817 0.422 1.00 0.00 H new ATOM 0 HA MET A 71 0.327 -11.282 2.709 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.110 -9.092 3.637 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.586 -9.365 3.290 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.416 -7.968 1.262 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.295 -7.725 1.557 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.166 -6.035 4.095 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.515 -7.629 4.545 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.239 -7.385 2.937 1.00 0.00 H new ATOM 1148 N ILE A 72 -1.858 -11.500 1.478 1.00 0.00 N ATOM 1149 CA ILE A 72 -3.181 -11.554 0.932 1.00 0.00 C ATOM 1150 C ILE A 72 -4.168 -11.472 2.065 1.00 0.00 C ATOM 1151 O ILE A 72 -4.405 -12.464 2.779 1.00 0.00 O ATOM 1152 CB ILE A 72 -3.446 -12.844 0.095 1.00 0.00 C ATOM 1153 CG1 ILE A 72 -2.365 -13.012 -0.986 1.00 0.00 C ATOM 1154 CG2 ILE A 72 -4.829 -12.762 -0.563 1.00 0.00 C ATOM 1155 CD1 ILE A 72 -2.513 -14.264 -1.831 1.00 0.00 C ATOM 0 H ILE A 72 -1.527 -12.375 1.885 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.293 -10.713 0.248 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.414 -13.706 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.385 -12.141 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.387 -13.026 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.009 -13.665 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.594 -12.670 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.869 -11.893 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.710 -14.303 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.461 -15.144 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.475 -14.245 -2.344 1.00 0.00 H new ATOM 1167 N PRO A 73 -4.708 -10.297 2.320 1.00 0.00 N ATOM 1168 CA PRO A 73 -5.633 -10.123 3.354 1.00 0.00 C ATOM 1169 C PRO A 73 -7.057 -10.288 2.876 1.00 0.00 C ATOM 1170 O PRO A 73 -7.341 -10.379 1.662 1.00 0.00 O ATOM 1171 CB PRO A 73 -5.372 -8.698 3.845 1.00 0.00 C ATOM 1172 CG PRO A 73 -4.653 -8.008 2.723 1.00 0.00 C ATOM 1173 CD PRO A 73 -4.450 -9.031 1.634 1.00 0.00 C ATOM 0 HA PRO A 73 -5.515 -10.869 4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.306 -8.189 4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.769 -8.701 4.753 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.234 -7.163 2.355 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.696 -7.612 3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.136 -8.876 0.801 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.440 -8.991 1.226 1.00 0.00 H new ATOM 1181 N TYR A 74 -7.923 -10.314 3.813 1.00 0.00 N ATOM 1182 CA TYR A 74 -9.314 -10.427 3.609 1.00 0.00 C ATOM 1183 C TYR A 74 -9.886 -9.228 4.317 1.00 0.00 C ATOM 1184 O TYR A 74 -10.761 -9.312 5.187 1.00 0.00 O ATOM 1185 CB TYR A 74 -9.807 -11.732 4.228 1.00 0.00 C ATOM 1186 CG TYR A 74 -11.200 -12.137 3.812 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -11.437 -12.601 2.533 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -12.270 -12.073 4.695 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -12.692 -12.985 2.139 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -13.532 -12.456 4.305 1.00 0.00 C ATOM 1191 CZ TYR A 74 -13.735 -12.912 3.028 1.00 0.00 C ATOM 1192 OH TYR A 74 -14.999 -13.284 2.627 1.00 0.00 O ATOM 0 H TYR A 74 -7.667 -10.254 4.798 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.605 -10.449 2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.115 -12.530 3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.779 -11.637 5.314 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.619 -12.662 1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.109 -11.718 5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.859 -13.343 1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -14.357 -12.398 5.000 1.00 0.00 H new ATOM 0 HH TYR A 74 -15.624 -13.175 3.374 1.00 0.00 H new ATOM 1202 N THR A 75 -9.274 -8.125 4.023 1.00 0.00 N ATOM 1203 CA THR A 75 -9.674 -6.902 4.535 1.00 0.00 C ATOM 1204 C THR A 75 -10.525 -6.217 3.500 1.00 0.00 C ATOM 1205 O THR A 75 -10.051 -5.864 2.416 1.00 0.00 O ATOM 1206 CB THR A 75 -8.460 -6.036 4.917 1.00 0.00 C ATOM 1207 OG1 THR A 75 -7.469 -6.087 3.870 1.00 0.00 O ATOM 1208 CG2 THR A 75 -7.829 -6.494 6.221 1.00 0.00 C ATOM 0 H THR A 75 -8.465 -8.074 3.403 1.00 0.00 H new ATOM 0 HA THR A 75 -10.251 -7.054 5.447 1.00 0.00 H new ATOM 0 HB THR A 75 -8.816 -5.014 5.048 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.701 -5.532 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.976 -5.858 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.563 -6.427 7.024 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.495 -7.527 6.120 1.00 0.00 H new ATOM 1216 N LYS A 76 -11.777 -6.093 3.785 1.00 0.00 N ATOM 1217 CA LYS A 76 -12.673 -5.485 2.849 1.00 0.00 C ATOM 1218 C LYS A 76 -13.011 -4.074 3.267 1.00 0.00 C ATOM 1219 O LYS A 76 -13.733 -3.875 4.243 1.00 0.00 O ATOM 1220 CB LYS A 76 -13.968 -6.291 2.689 1.00 0.00 C ATOM 1221 CG LYS A 76 -14.895 -5.717 1.610 1.00 0.00 C ATOM 1222 CD LYS A 76 -16.206 -6.480 1.487 1.00 0.00 C ATOM 1223 CE LYS A 76 -17.110 -6.303 2.707 1.00 0.00 C ATOM 1224 NZ LYS A 76 -17.528 -4.894 2.912 1.00 0.00 N ATOM 0 H LYS A 76 -12.207 -6.403 4.656 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.159 -5.467 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.720 -7.322 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.497 -6.313 3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.108 -4.673 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.380 -5.733 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.735 -6.143 0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.993 -7.540 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.996 -6.927 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.586 -6.655 3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.291 -4.857 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.717 -4.337 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.869 -4.499 2.012 1.00 0.00 H new ATOM 1238 N PRO A 77 -12.424 -3.074 2.620 1.00 0.00 N ATOM 1239 CA PRO A 77 -12.748 -1.714 2.874 1.00 0.00 C ATOM 1240 C PRO A 77 -13.760 -1.256 1.817 1.00 0.00 C ATOM 1241 O PRO A 77 -14.337 -2.087 1.096 1.00 0.00 O ATOM 1242 CB PRO A 77 -11.399 -0.994 2.685 1.00 0.00 C ATOM 1243 CG PRO A 77 -10.522 -1.951 1.920 1.00 0.00 C ATOM 1244 CD PRO A 77 -11.354 -3.176 1.623 1.00 0.00 C ATOM 0 HA PRO A 77 -13.187 -1.525 3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.528 -0.060 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.954 -0.740 3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.167 -1.494 0.997 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.641 -2.216 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -11.744 -3.166 0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -10.779 -4.095 1.735 1.00 0.00 H new ATOM 1252 N CYS A 78 -13.952 0.027 1.690 1.00 0.00 N ATOM 1253 CA CYS A 78 -14.858 0.548 0.692 1.00 0.00 C ATOM 1254 C CYS A 78 -14.044 1.002 -0.541 1.00 0.00 C ATOM 1255 O CYS A 78 -14.540 1.687 -1.441 1.00 0.00 O ATOM 1256 CB CYS A 78 -15.692 1.687 1.305 1.00 0.00 C ATOM 1257 SG CYS A 78 -16.971 2.378 0.228 1.00 0.00 S ATOM 0 H CYS A 78 -13.495 0.736 2.263 1.00 0.00 H new ATOM 0 HA CYS A 78 -15.556 -0.220 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -16.167 1.318 2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -15.017 2.490 1.601 1.00 0.00 H new ATOM 0 HG CYS A 78 -16.544 2.392 -1.000 1.00 0.00 H new ATOM 1263 N TYR A 79 -12.790 0.579 -0.573 1.00 0.00 N ATOM 1264 CA TYR A 79 -11.897 0.874 -1.673 1.00 0.00 C ATOM 1265 C TYR A 79 -11.527 -0.439 -2.382 1.00 0.00 C ATOM 1266 O TYR A 79 -12.130 -0.795 -3.402 1.00 0.00 O ATOM 1267 CB TYR A 79 -10.640 1.625 -1.165 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.664 2.060 -2.251 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.919 3.180 -3.025 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -8.489 1.350 -2.493 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -9.039 3.585 -4.011 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -7.603 1.749 -3.475 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.883 2.868 -4.230 1.00 0.00 C ATOM 1274 OH TYR A 79 -7.009 3.266 -5.214 1.00 0.00 O ATOM 0 H TYR A 79 -12.366 0.020 0.167 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.394 1.529 -2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.962 2.508 -0.613 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -10.112 0.983 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.822 3.747 -2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.268 0.473 -1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.256 4.459 -4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.697 1.188 -3.650 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.670 2.478 -5.689 1.00 0.00 H new ATOM 1284 N GLY A 80 -10.600 -1.177 -1.801 1.00 0.00 N ATOM 1285 CA GLY A 80 -10.176 -2.440 -2.344 1.00 0.00 C ATOM 1286 C GLY A 80 -9.131 -3.043 -1.452 1.00 0.00 C ATOM 1287 O GLY A 80 -8.570 -2.337 -0.605 1.00 0.00 O ATOM 0 H GLY A 80 -10.123 -0.912 -0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.028 -3.115 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.776 -2.300 -3.348 1.00 0.00 H new ATOM 1291 N THR A 81 -8.872 -4.307 -1.616 1.00 0.00 N ATOM 1292 CA THR A 81 -7.929 -4.995 -0.794 1.00 0.00 C ATOM 1293 C THR A 81 -6.557 -4.920 -1.460 1.00 0.00 C ATOM 1294 O THR A 81 -6.452 -4.842 -2.697 1.00 0.00 O ATOM 1295 CB THR A 81 -8.373 -6.448 -0.579 1.00 0.00 C ATOM 1296 OG1 THR A 81 -9.769 -6.470 -0.248 1.00 0.00 O ATOM 1297 CG2 THR A 81 -7.594 -7.098 0.556 1.00 0.00 C ATOM 0 H THR A 81 -9.313 -4.890 -2.328 1.00 0.00 H new ATOM 0 HA THR A 81 -7.871 -4.526 0.188 1.00 0.00 H new ATOM 0 HB THR A 81 -8.184 -7.003 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.876 -6.400 0.724 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.930 -8.127 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.530 -7.091 0.318 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.763 -6.542 1.478 1.00 0.00 H new ATOM 1305 N ALA A 82 -5.521 -4.976 -0.675 1.00 0.00 N ATOM 1306 CA ALA A 82 -4.213 -4.810 -1.191 1.00 0.00 C ATOM 1307 C ALA A 82 -3.287 -5.957 -0.880 1.00 0.00 C ATOM 1308 O ALA A 82 -3.252 -6.438 0.229 1.00 0.00 O ATOM 1309 CB ALA A 82 -3.644 -3.572 -0.573 1.00 0.00 C ATOM 0 H ALA A 82 -5.568 -5.137 0.331 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.291 -4.754 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.633 -3.410 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.268 -2.717 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.616 -3.686 0.511 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.543 -6.375 -1.877 1.00 0.00 N ATOM 1316 CA VAL A 83 -1.538 -7.400 -1.730 1.00 0.00 C ATOM 1317 C VAL A 83 -0.241 -6.812 -2.311 1.00 0.00 C ATOM 1318 O VAL A 83 -0.267 -6.187 -3.377 1.00 0.00 O ATOM 1319 CB VAL A 83 -1.916 -8.698 -2.516 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -0.943 -9.827 -2.212 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -3.347 -9.135 -2.228 1.00 0.00 C ATOM 0 H VAL A 83 -2.620 -6.007 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.437 -7.680 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.847 -8.461 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.231 -10.716 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.064 -9.527 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.964 -10.048 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.572 -10.040 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.459 -9.335 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.036 -8.343 -2.523 1.00 0.00 H new ATOM 1331 N VAL A 84 0.848 -6.920 -1.601 1.00 0.00 N ATOM 1332 CA VAL A 84 2.146 -6.434 -2.081 1.00 0.00 C ATOM 1333 C VAL A 84 3.151 -7.551 -1.861 1.00 0.00 C ATOM 1334 O VAL A 84 2.961 -8.353 -0.947 1.00 0.00 O ATOM 1335 CB VAL A 84 2.622 -5.105 -1.336 1.00 0.00 C ATOM 1336 CG1 VAL A 84 1.612 -3.986 -1.502 1.00 0.00 C ATOM 1337 CG2 VAL A 84 2.896 -5.349 0.144 1.00 0.00 C ATOM 0 H VAL A 84 0.878 -7.344 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 84 2.062 -6.171 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 84 3.557 -4.801 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.967 -3.096 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.487 -3.763 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.655 -4.294 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.217 -4.419 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.987 -5.704 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.680 -6.099 0.250 1.00 0.00 H new ATOM 1347 N GLU A 85 4.146 -7.654 -2.722 1.00 0.00 N ATOM 1348 CA GLU A 85 5.183 -8.666 -2.566 1.00 0.00 C ATOM 1349 C GLU A 85 6.494 -8.166 -3.139 1.00 0.00 C ATOM 1350 O GLU A 85 6.593 -7.875 -4.323 1.00 0.00 O ATOM 1351 CB GLU A 85 4.812 -9.988 -3.255 1.00 0.00 C ATOM 1352 CG GLU A 85 5.901 -11.043 -3.100 1.00 0.00 C ATOM 1353 CD GLU A 85 5.660 -12.317 -3.865 1.00 0.00 C ATOM 1354 OE1 GLU A 85 5.654 -12.280 -5.103 1.00 0.00 O ATOM 1355 OE2 GLU A 85 5.585 -13.396 -3.235 1.00 0.00 O ATOM 0 H GLU A 85 4.261 -7.052 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 85 5.284 -8.854 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.880 -10.366 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.633 -9.806 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.850 -10.615 -3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.005 -11.285 -2.042 1.00 0.00 H new ATOM 1362 N LEU A 86 7.473 -8.026 -2.313 1.00 0.00 N ATOM 1363 CA LEU A 86 8.770 -7.611 -2.764 1.00 0.00 C ATOM 1364 C LEU A 86 9.625 -8.877 -2.964 1.00 0.00 C ATOM 1365 O LEU A 86 9.669 -9.713 -2.098 1.00 0.00 O ATOM 1366 CB LEU A 86 9.423 -6.702 -1.709 1.00 0.00 C ATOM 1367 CG LEU A 86 10.729 -6.015 -2.120 1.00 0.00 C ATOM 1368 CD1 LEU A 86 10.484 -4.900 -3.120 1.00 0.00 C ATOM 1369 CD2 LEU A 86 11.493 -5.517 -0.911 1.00 0.00 C ATOM 0 H LEU A 86 7.405 -8.193 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 86 8.689 -7.054 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.704 -5.932 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.616 -7.297 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 86 11.348 -6.763 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.433 -4.436 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.015 -5.310 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.827 -4.152 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.415 -5.035 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.881 -4.799 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.734 -6.358 -0.261 1.00 0.00 H new ATOM 1381 N PRO A 87 10.291 -9.053 -4.111 1.00 0.00 N ATOM 1382 CA PRO A 87 11.144 -10.235 -4.340 1.00 0.00 C ATOM 1383 C PRO A 87 12.489 -10.109 -3.615 1.00 0.00 C ATOM 1384 O PRO A 87 13.277 -11.055 -3.550 1.00 0.00 O ATOM 1385 CB PRO A 87 11.350 -10.231 -5.853 1.00 0.00 C ATOM 1386 CG PRO A 87 11.238 -8.800 -6.238 1.00 0.00 C ATOM 1387 CD PRO A 87 10.246 -8.175 -5.283 1.00 0.00 C ATOM 0 HA PRO A 87 10.694 -11.154 -3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.324 -10.640 -6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.599 -10.838 -6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.206 -8.303 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.899 -8.701 -7.269 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.525 -7.153 -5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.246 -8.134 -5.715 1.00 0.00 H new ATOM 1395 N VAL A 88 12.722 -8.944 -3.076 1.00 0.00 N ATOM 1396 CA VAL A 88 13.925 -8.634 -2.353 1.00 0.00 C ATOM 1397 C VAL A 88 13.574 -8.736 -0.882 1.00 0.00 C ATOM 1398 O VAL A 88 12.411 -8.596 -0.535 1.00 0.00 O ATOM 1399 CB VAL A 88 14.395 -7.182 -2.654 1.00 0.00 C ATOM 1400 CG1 VAL A 88 15.801 -6.931 -2.139 1.00 0.00 C ATOM 1401 CG2 VAL A 88 14.292 -6.848 -4.138 1.00 0.00 C ATOM 0 H VAL A 88 12.065 -8.165 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 88 14.727 -9.315 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 88 13.719 -6.515 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.095 -5.907 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.826 -7.083 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.493 -7.623 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.630 -5.825 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.917 -7.534 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.256 -6.945 -4.462 1.00 0.00 H new ATOM 1411 N ASP A 89 14.551 -8.969 -0.040 1.00 0.00 N ATOM 1412 CA ASP A 89 14.326 -9.117 1.401 1.00 0.00 C ATOM 1413 C ASP A 89 13.780 -7.819 2.029 1.00 0.00 C ATOM 1414 O ASP A 89 14.079 -6.711 1.546 1.00 0.00 O ATOM 1415 CB ASP A 89 15.611 -9.579 2.098 1.00 0.00 C ATOM 1416 CG ASP A 89 16.057 -10.943 1.628 1.00 0.00 C ATOM 1417 OD1 ASP A 89 15.473 -11.955 2.069 1.00 0.00 O ATOM 1418 OD2 ASP A 89 16.971 -11.027 0.759 1.00 0.00 O ATOM 0 H ASP A 89 15.527 -9.063 -0.321 1.00 0.00 H new ATOM 0 HA ASP A 89 13.564 -9.883 1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 89 16.404 -8.855 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 89 15.449 -9.603 3.176 1.00 0.00 H new ATOM 1423 N PRO A 90 12.992 -7.931 3.142 1.00 0.00 N ATOM 1424 CA PRO A 90 12.341 -6.776 3.811 1.00 0.00 C ATOM 1425 C PRO A 90 13.334 -5.748 4.338 1.00 0.00 C ATOM 1426 O PRO A 90 12.966 -4.612 4.634 1.00 0.00 O ATOM 1427 CB PRO A 90 11.566 -7.415 4.973 1.00 0.00 C ATOM 1428 CG PRO A 90 12.216 -8.735 5.192 1.00 0.00 C ATOM 1429 CD PRO A 90 12.667 -9.197 3.843 1.00 0.00 C ATOM 0 HA PRO A 90 11.714 -6.221 3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.618 -6.796 5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.511 -7.531 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 90 13.059 -8.647 5.877 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.518 -9.445 5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 90 13.534 -9.853 3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 90 11.886 -9.754 3.326 1.00 0.00 H new ATOM 1437 N GLU A 91 14.601 -6.139 4.404 1.00 0.00 N ATOM 1438 CA GLU A 91 15.686 -5.269 4.843 1.00 0.00 C ATOM 1439 C GLU A 91 15.787 -4.016 3.960 1.00 0.00 C ATOM 1440 O GLU A 91 16.245 -2.961 4.411 1.00 0.00 O ATOM 1441 CB GLU A 91 17.010 -6.031 4.837 1.00 0.00 C ATOM 1442 CG GLU A 91 17.376 -6.619 3.486 1.00 0.00 C ATOM 1443 CD GLU A 91 18.643 -7.420 3.530 1.00 0.00 C ATOM 1444 OE1 GLU A 91 19.734 -6.834 3.563 1.00 0.00 O ATOM 1445 OE2 GLU A 91 18.579 -8.652 3.476 1.00 0.00 O ATOM 0 H GLU A 91 14.907 -7.079 4.152 1.00 0.00 H new ATOM 0 HA GLU A 91 15.468 -4.945 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.806 -5.359 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.958 -6.836 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.561 -7.254 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.485 -5.813 2.761 1.00 0.00 H new ATOM 1452 N GLU A 92 15.322 -4.124 2.719 1.00 0.00 N ATOM 1453 CA GLU A 92 15.343 -2.986 1.815 1.00 0.00 C ATOM 1454 C GLU A 92 14.267 -2.017 2.187 1.00 0.00 C ATOM 1455 O GLU A 92 14.411 -0.818 2.022 1.00 0.00 O ATOM 1456 CB GLU A 92 15.186 -3.408 0.361 1.00 0.00 C ATOM 1457 CG GLU A 92 16.455 -3.924 -0.268 1.00 0.00 C ATOM 1458 CD GLU A 92 17.529 -2.864 -0.319 1.00 0.00 C ATOM 1459 OE1 GLU A 92 17.356 -1.852 -1.037 1.00 0.00 O ATOM 1460 OE2 GLU A 92 18.563 -3.018 0.342 1.00 0.00 O ATOM 0 H GLU A 92 14.931 -4.979 2.323 1.00 0.00 H new ATOM 0 HA GLU A 92 16.317 -2.507 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.421 -4.182 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.826 -2.557 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.818 -4.782 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.243 -4.275 -1.278 1.00 0.00 H new ATOM 1467 N ILE A 93 13.220 -2.532 2.753 1.00 0.00 N ATOM 1468 CA ILE A 93 12.106 -1.725 3.119 1.00 0.00 C ATOM 1469 C ILE A 93 12.414 -0.968 4.384 1.00 0.00 C ATOM 1470 O ILE A 93 11.942 0.118 4.566 1.00 0.00 O ATOM 1471 CB ILE A 93 10.807 -2.555 3.216 1.00 0.00 C ATOM 1472 CG1 ILE A 93 10.575 -3.260 1.871 1.00 0.00 C ATOM 1473 CG2 ILE A 93 9.600 -1.677 3.577 1.00 0.00 C ATOM 1474 CD1 ILE A 93 10.503 -2.314 0.668 1.00 0.00 C ATOM 0 H ILE A 93 13.117 -3.523 2.973 1.00 0.00 H new ATOM 0 HA ILE A 93 11.928 -0.992 2.332 1.00 0.00 H new ATOM 0 HB ILE A 93 10.916 -3.291 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.379 -3.977 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.647 -3.829 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.705 -2.296 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.774 -1.198 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.463 -0.914 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.337 -2.893 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.681 -1.612 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.440 -1.763 0.582 1.00 0.00 H new ATOM 1486 N GLU A 94 13.285 -1.520 5.213 1.00 0.00 N ATOM 1487 CA GLU A 94 13.702 -0.833 6.427 1.00 0.00 C ATOM 1488 C GLU A 94 14.483 0.424 6.026 1.00 0.00 C ATOM 1489 O GLU A 94 14.357 1.494 6.635 1.00 0.00 O ATOM 1490 CB GLU A 94 14.552 -1.755 7.293 1.00 0.00 C ATOM 1491 CG GLU A 94 13.822 -3.006 7.734 1.00 0.00 C ATOM 1492 CD GLU A 94 12.557 -2.687 8.486 1.00 0.00 C ATOM 1493 OE1 GLU A 94 12.627 -2.362 9.688 1.00 0.00 O ATOM 1494 OE2 GLU A 94 11.470 -2.760 7.898 1.00 0.00 O ATOM 0 H GLU A 94 13.715 -2.434 5.071 1.00 0.00 H new ATOM 0 HA GLU A 94 12.831 -0.546 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.446 -2.041 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.886 -1.208 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.581 -3.612 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.478 -3.605 8.366 1.00 0.00 H new ATOM 1501 N ARG A 95 15.247 0.270 4.961 1.00 0.00 N ATOM 1502 CA ARG A 95 16.024 1.336 4.347 1.00 0.00 C ATOM 1503 C ARG A 95 15.065 2.386 3.774 1.00 0.00 C ATOM 1504 O ARG A 95 15.200 3.584 4.009 1.00 0.00 O ATOM 1505 CB ARG A 95 16.852 0.726 3.206 1.00 0.00 C ATOM 1506 CG ARG A 95 17.496 1.723 2.264 1.00 0.00 C ATOM 1507 CD ARG A 95 17.973 1.028 1.002 1.00 0.00 C ATOM 1508 NE ARG A 95 18.452 1.981 0.001 1.00 0.00 N ATOM 1509 CZ ARG A 95 18.408 1.792 -1.327 1.00 0.00 C ATOM 1510 NH1 ARG A 95 17.990 0.633 -1.840 1.00 0.00 N ATOM 1511 NH2 ARG A 95 18.806 2.756 -2.140 1.00 0.00 N ATOM 0 H ARG A 95 15.349 -0.626 4.484 1.00 0.00 H new ATOM 0 HA ARG A 95 16.679 1.806 5.080 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.635 0.104 3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.207 0.067 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.781 2.505 2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 95 18.337 2.209 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 95 18.773 0.331 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.158 0.439 0.582 1.00 0.00 H new ATOM 0 HE ARG A 95 18.850 2.857 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.699 -0.123 -1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.962 0.504 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 95 19.145 3.639 -1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 95 18.774 2.617 -3.150 1.00 0.00 H new ATOM 1525 N ILE A 96 14.077 1.904 3.064 1.00 0.00 N ATOM 1526 CA ILE A 96 13.094 2.734 2.400 1.00 0.00 C ATOM 1527 C ILE A 96 12.116 3.373 3.415 1.00 0.00 C ATOM 1528 O ILE A 96 11.538 4.414 3.149 1.00 0.00 O ATOM 1529 CB ILE A 96 12.366 1.905 1.290 1.00 0.00 C ATOM 1530 CG1 ILE A 96 13.368 1.523 0.181 1.00 0.00 C ATOM 1531 CG2 ILE A 96 11.168 2.630 0.703 1.00 0.00 C ATOM 1532 CD1 ILE A 96 12.791 0.655 -0.924 1.00 0.00 C ATOM 0 H ILE A 96 13.927 0.905 2.926 1.00 0.00 H new ATOM 0 HA ILE A 96 13.599 3.567 1.911 1.00 0.00 H new ATOM 0 HB ILE A 96 11.979 1.002 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.764 2.437 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 96 14.209 0.999 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.704 2.006 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.445 2.836 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.494 3.569 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.567 0.437 -1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 96 12.422 -0.278 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.970 1.182 -1.410 1.00 0.00 H new ATOM 1544 N LEU A 97 12.000 2.774 4.583 1.00 0.00 N ATOM 1545 CA LEU A 97 11.155 3.281 5.660 1.00 0.00 C ATOM 1546 C LEU A 97 11.830 4.496 6.278 1.00 0.00 C ATOM 1547 O LEU A 97 11.185 5.391 6.795 1.00 0.00 O ATOM 1548 CB LEU A 97 10.935 2.196 6.727 1.00 0.00 C ATOM 1549 CG LEU A 97 9.964 2.533 7.864 1.00 0.00 C ATOM 1550 CD1 LEU A 97 8.557 2.752 7.324 1.00 0.00 C ATOM 1551 CD2 LEU A 97 9.972 1.435 8.916 1.00 0.00 C ATOM 0 H LEU A 97 12.492 1.912 4.819 1.00 0.00 H new ATOM 0 HA LEU A 97 10.181 3.562 5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.575 1.296 6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.902 1.951 7.167 1.00 0.00 H new ATOM 0 HG LEU A 97 10.295 3.459 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.884 2.990 8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.565 3.577 6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.214 1.846 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.277 1.692 9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.669 0.492 8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.976 1.333 9.328 1.00 0.00 H new ATOM 1563 N GLU A 98 13.143 4.524 6.181 1.00 0.00 N ATOM 1564 CA GLU A 98 13.945 5.637 6.664 1.00 0.00 C ATOM 1565 C GLU A 98 13.743 6.799 5.680 1.00 0.00 C ATOM 1566 O GLU A 98 13.813 7.980 6.027 1.00 0.00 O ATOM 1567 CB GLU A 98 15.415 5.210 6.645 1.00 0.00 C ATOM 1568 CG GLU A 98 16.376 6.155 7.338 1.00 0.00 C ATOM 1569 CD GLU A 98 16.169 6.205 8.826 1.00 0.00 C ATOM 1570 OE1 GLU A 98 15.319 6.966 9.293 1.00 0.00 O ATOM 1571 OE2 GLU A 98 16.862 5.473 9.559 1.00 0.00 O ATOM 0 H GLU A 98 13.691 3.772 5.763 1.00 0.00 H new ATOM 0 HA GLU A 98 13.661 5.932 7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 98 15.497 4.229 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.729 5.096 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 98 17.399 5.844 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 98 16.256 7.156 6.925 1.00 0.00 H new ATOM 1578 N VAL A 99 13.438 6.417 4.458 1.00 0.00 N ATOM 1579 CA VAL A 99 13.237 7.317 3.342 1.00 0.00 C ATOM 1580 C VAL A 99 11.696 7.468 3.073 1.00 0.00 C ATOM 1581 O VAL A 99 11.250 7.813 1.981 1.00 0.00 O ATOM 1582 CB VAL A 99 13.995 6.737 2.089 1.00 0.00 C ATOM 1583 CG1 VAL A 99 13.932 7.662 0.878 1.00 0.00 C ATOM 1584 CG2 VAL A 99 15.453 6.467 2.432 1.00 0.00 C ATOM 0 H VAL A 99 13.319 5.436 4.205 1.00 0.00 H new ATOM 0 HA VAL A 99 13.637 8.308 3.559 1.00 0.00 H new ATOM 0 HB VAL A 99 13.488 5.809 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.471 7.209 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.891 7.819 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.388 8.620 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.965 6.066 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.933 7.396 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.507 5.744 3.246 1.00 0.00 H new ATOM 1594 N ALA A 100 10.910 7.186 4.101 1.00 0.00 N ATOM 1595 CA ALA A 100 9.451 7.288 4.062 1.00 0.00 C ATOM 1596 C ALA A 100 8.939 8.677 3.709 1.00 0.00 C ATOM 1597 O ALA A 100 8.118 8.833 2.813 1.00 0.00 O ATOM 1598 CB ALA A 100 8.845 6.851 5.389 1.00 0.00 C ATOM 0 H ALA A 100 11.270 6.874 5.003 1.00 0.00 H new ATOM 0 HA ALA A 100 9.135 6.619 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.759 6.935 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.120 5.816 5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.221 7.489 6.189 1.00 0.00 H new ATOM 1604 N GLU A 101 9.454 9.662 4.385 1.00 0.00 N ATOM 1605 CA GLU A 101 9.003 11.026 4.211 1.00 0.00 C ATOM 1606 C GLU A 101 9.760 11.834 3.140 1.00 0.00 C ATOM 1607 O GLU A 101 9.117 12.630 2.453 1.00 0.00 O ATOM 1608 CB GLU A 101 8.997 11.770 5.542 1.00 0.00 C ATOM 1609 CG GLU A 101 8.142 11.122 6.613 1.00 0.00 C ATOM 1610 CD GLU A 101 8.252 11.835 7.930 1.00 0.00 C ATOM 1611 OE1 GLU A 101 9.231 11.607 8.657 1.00 0.00 O ATOM 1612 OE2 GLU A 101 7.362 12.638 8.271 1.00 0.00 O ATOM 0 H GLU A 101 10.198 9.550 5.074 1.00 0.00 H new ATOM 0 HA GLU A 101 7.985 10.937 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.021 11.846 5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.642 12.787 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.101 11.115 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.444 10.082 6.738 1.00 0.00 H new ATOM 1619 N PRO A 102 11.139 11.731 3.048 1.00 0.00 N ATOM 1620 CA PRO A 102 11.945 12.448 2.055 1.00 0.00 C ATOM 1621 C PRO A 102 11.299 12.623 0.673 1.00 0.00 C ATOM 1622 O PRO A 102 10.872 13.760 0.337 1.00 0.00 O ATOM 1623 CB PRO A 102 13.191 11.603 1.966 1.00 0.00 C ATOM 1624 CG PRO A 102 13.420 11.198 3.366 1.00 0.00 C ATOM 1625 CD PRO A 102 12.048 10.975 3.952 1.00 0.00 C ATOM 1626 OXT PRO A 102 11.191 11.644 -0.076 1.00 0.00 O ATOM 0 HA PRO A 102 12.104 13.480 2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 102 13.048 10.741 1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 102 14.033 12.168 1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 102 14.021 10.290 3.418 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.960 11.970 3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 102 11.793 9.916 3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 102 11.988 11.343 4.976 1.00 0.00 H new TER 1634 PRO A 102