USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 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 68 MET CE :methyl -104:sc= -1.5 (180deg=-3.54!) USER MOD Set 1.2: A 72 GLN : amide:sc= 0 X(o=-1.5,f=-2) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0656 (180deg=-0.32) USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= -0.0816 (180deg=-0.102) USER MOD Single : A 6 SER OG : rot 180:sc= -1.07 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 100:sc= -0.359 USER MOD Single : A 21 MET CE :methyl 154:sc= -7.2! (180deg=-10.2!) USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 0.0421 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -64:sc= 0.89 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -130:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -3.69! C(o=-3.7!,f=-2.9!) USER MOD Single : A 56 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.35) USER MOD Single : A 57 CYS SG : rot -37:sc= 1.09 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -120:sc= -0.258 USER MOD Single : A 74 THR OG1 : rot -52:sc= 0.571 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.523 K(o=-0.52,f=-5!) USER MOD Single : A 82 SER OG : rot 40:sc= 0.516 USER MOD Single : A 83 MET CE :methyl 162:sc= -1.67 (180deg=-2.45!) USER MOD Single : A 89 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.017) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.518 3.107 12.082 1.00 0.00 N ATOM 2 CA MET A 1 11.554 3.895 11.445 1.00 0.00 C ATOM 3 C MET A 1 11.938 3.265 10.114 1.00 0.00 C ATOM 4 O MET A 1 13.057 3.484 9.653 1.00 0.00 O ATOM 5 CB MET A 1 12.764 3.985 12.369 1.00 0.00 C ATOM 6 CG MET A 1 12.749 5.325 13.100 1.00 0.00 C ATOM 7 SD MET A 1 12.690 5.179 14.903 1.00 0.00 S ATOM 8 CE MET A 1 11.007 5.780 15.187 1.00 0.00 C ATOM 0 H1 MET A 1 10.414 3.406 13.073 1.00 0.00 H new ATOM 0 H2 MET A 1 9.617 3.248 11.582 1.00 0.00 H new ATOM 0 H3 MET A 1 10.778 2.101 12.049 1.00 0.00 H new ATOM 0 HA MET A 1 11.183 4.902 11.254 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.747 3.166 13.088 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.683 3.884 11.792 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.638 5.890 12.820 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.887 5.901 12.764 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.789 5.762 16.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.918 6.801 14.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.298 5.140 14.661 1.00 0.00 H new ATOM 20 N LEU A 2 11.020 2.509 9.530 1.00 0.00 N ATOM 21 CA LEU A 2 11.285 1.861 8.256 1.00 0.00 C ATOM 22 C LEU A 2 10.565 2.625 7.142 1.00 0.00 C ATOM 23 O LEU A 2 9.767 3.519 7.413 1.00 0.00 O ATOM 24 CB LEU A 2 10.914 0.378 8.323 1.00 0.00 C ATOM 25 CG LEU A 2 11.629 -0.443 9.398 1.00 0.00 C ATOM 26 CD1 LEU A 2 10.769 -1.628 9.844 1.00 0.00 C ATOM 27 CD2 LEU A 2 13.012 -0.887 8.921 1.00 0.00 C ATOM 0 H LEU A 2 10.092 2.331 9.915 1.00 0.00 H new ATOM 0 HA LEU A 2 12.350 1.890 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.839 0.300 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.121 -0.072 7.352 1.00 0.00 H new ATOM 0 HG LEU A 2 11.779 0.194 10.270 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.300 -2.195 10.608 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.828 -1.261 10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.566 -2.273 8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 2 13.498 -1.469 9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.909 -1.500 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 2 13.617 -0.010 8.692 1.00 0.00 H new ATOM 39 N VAL A 3 10.876 2.243 5.912 1.00 0.00 N ATOM 40 CA VAL A 3 10.270 2.880 4.755 1.00 0.00 C ATOM 41 C VAL A 3 10.245 1.892 3.588 1.00 0.00 C ATOM 42 O VAL A 3 10.760 0.780 3.700 1.00 0.00 O ATOM 43 CB VAL A 3 11.011 4.178 4.425 1.00 0.00 C ATOM 44 CG1 VAL A 3 12.296 3.891 3.644 1.00 0.00 C ATOM 45 CG2 VAL A 3 10.108 5.145 3.657 1.00 0.00 C ATOM 0 H VAL A 3 11.540 1.500 5.691 1.00 0.00 H new ATOM 0 HA VAL A 3 9.237 3.156 4.968 1.00 0.00 H new ATOM 0 HB VAL A 3 11.288 4.654 5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.804 4.829 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.951 3.257 4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.049 3.382 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.659 6.059 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.786 4.680 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.234 5.386 4.263 1.00 0.00 H new ATOM 55 N ALA A 4 9.640 2.332 2.494 1.00 0.00 N ATOM 56 CA ALA A 4 9.542 1.499 1.308 1.00 0.00 C ATOM 57 C ALA A 4 8.398 0.498 1.486 1.00 0.00 C ATOM 58 O ALA A 4 8.603 -0.598 2.005 1.00 0.00 O ATOM 59 CB ALA A 4 10.885 0.811 1.053 1.00 0.00 C ATOM 0 H ALA A 4 9.213 3.254 2.404 1.00 0.00 H new ATOM 0 HA ALA A 4 9.316 2.106 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.811 0.186 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.658 1.565 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.145 0.191 1.911 1.00 0.00 H new ATOM 65 N LYS A 5 7.219 0.911 1.045 1.00 0.00 N ATOM 66 CA LYS A 5 6.043 0.064 1.150 1.00 0.00 C ATOM 67 C LYS A 5 5.648 -0.429 -0.244 1.00 0.00 C ATOM 68 O LYS A 5 6.189 0.037 -1.246 1.00 0.00 O ATOM 69 CB LYS A 5 4.918 0.797 1.884 1.00 0.00 C ATOM 70 CG LYS A 5 5.270 1.003 3.359 1.00 0.00 C ATOM 71 CD LYS A 5 5.062 -0.285 4.158 1.00 0.00 C ATOM 72 CE LYS A 5 4.122 -0.050 5.342 1.00 0.00 C ATOM 73 NZ LYS A 5 4.603 -0.778 6.537 1.00 0.00 N ATOM 0 H LYS A 5 7.053 1.821 0.614 1.00 0.00 H new ATOM 0 HA LYS A 5 6.262 -0.819 1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.739 1.762 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.993 0.226 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.307 1.326 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.652 1.798 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.649 -1.057 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.023 -0.652 4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.060 1.016 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.116 -0.382 5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.983 -0.568 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.591 -1.801 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.574 -0.478 6.759 1.00 0.00 H new ATOM 87 N SER A 6 4.711 -1.363 -0.263 1.00 0.00 N ATOM 88 CA SER A 6 4.237 -1.924 -1.517 1.00 0.00 C ATOM 89 C SER A 6 2.731 -2.180 -1.442 1.00 0.00 C ATOM 90 O SER A 6 2.141 -2.119 -0.365 1.00 0.00 O ATOM 91 CB SER A 6 4.980 -3.218 -1.857 1.00 0.00 C ATOM 92 OG SER A 6 4.363 -3.921 -2.932 1.00 0.00 O ATOM 0 H SER A 6 4.266 -1.747 0.571 1.00 0.00 H new ATOM 0 HA SER A 6 4.436 -1.203 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.012 -2.985 -2.121 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.013 -3.859 -0.976 1.00 0.00 H new ATOM 0 HG SER A 6 4.868 -4.740 -3.120 1.00 0.00 H new ATOM 98 N SER A 7 2.152 -2.462 -2.600 1.00 0.00 N ATOM 99 CA SER A 7 0.725 -2.727 -2.678 1.00 0.00 C ATOM 100 C SER A 7 0.486 -4.176 -3.107 1.00 0.00 C ATOM 101 O SER A 7 1.289 -4.750 -3.841 1.00 0.00 O ATOM 102 CB SER A 7 0.038 -1.765 -3.649 1.00 0.00 C ATOM 103 OG SER A 7 -0.979 -2.411 -4.409 1.00 0.00 O ATOM 0 H SER A 7 2.645 -2.513 -3.492 1.00 0.00 H new ATOM 0 HA SER A 7 0.293 -2.571 -1.689 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.398 -0.936 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.780 -1.340 -4.324 1.00 0.00 H new ATOM 0 HG SER A 7 -1.395 -1.764 -5.016 1.00 0.00 H new ATOM 109 N ILE A 8 -0.621 -4.725 -2.631 1.00 0.00 N ATOM 110 CA ILE A 8 -0.977 -6.096 -2.957 1.00 0.00 C ATOM 111 C ILE A 8 -2.497 -6.257 -2.879 1.00 0.00 C ATOM 112 O ILE A 8 -3.094 -6.046 -1.825 1.00 0.00 O ATOM 113 CB ILE A 8 -0.209 -7.075 -2.065 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.270 -7.125 -2.455 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.855 -8.461 -2.090 1.00 0.00 C ATOM 116 CD1 ILE A 8 2.084 -6.112 -1.647 1.00 0.00 C ATOM 0 H ILE A 8 -1.284 -4.246 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.683 -6.333 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.260 -6.715 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.661 -8.128 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.376 -6.916 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.290 -9.137 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.881 -8.391 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.855 -8.844 -3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.131 -6.168 -1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.706 -5.107 -1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.995 -6.338 -0.584 1.00 0.00 H new ATOM 128 N LEU A 9 -3.078 -6.629 -4.009 1.00 0.00 N ATOM 129 CA LEU A 9 -4.517 -6.821 -4.082 1.00 0.00 C ATOM 130 C LEU A 9 -4.831 -8.318 -4.036 1.00 0.00 C ATOM 131 O LEU A 9 -4.076 -9.131 -4.566 1.00 0.00 O ATOM 132 CB LEU A 9 -5.090 -6.111 -5.311 1.00 0.00 C ATOM 133 CG LEU A 9 -6.614 -5.980 -5.359 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.080 -4.720 -4.626 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.122 -6.024 -6.802 1.00 0.00 C ATOM 0 H LEU A 9 -2.579 -6.803 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.006 -6.365 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.657 -5.112 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.763 -6.648 -6.202 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.047 -6.834 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.167 -4.651 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.766 -4.769 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.639 -3.841 -5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.208 -5.929 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.682 -5.202 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.838 -6.972 -7.259 1.00 0.00 H new ATOM 147 N LEU A 10 -5.947 -8.636 -3.397 1.00 0.00 N ATOM 148 CA LEU A 10 -6.371 -10.020 -3.273 1.00 0.00 C ATOM 149 C LEU A 10 -7.832 -10.143 -3.708 1.00 0.00 C ATOM 150 O LEU A 10 -8.584 -9.172 -3.650 1.00 0.00 O ATOM 151 CB LEU A 10 -6.105 -10.538 -1.858 1.00 0.00 C ATOM 152 CG LEU A 10 -4.820 -11.347 -1.671 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.596 -10.547 -2.120 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.687 -11.837 -0.227 1.00 0.00 C ATOM 0 H LEU A 10 -6.571 -7.958 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.786 -10.658 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.076 -9.685 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.949 -11.158 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.877 -12.230 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.697 -11.146 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.696 -10.290 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.522 -9.634 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.765 -12.409 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.662 -10.981 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.538 -12.470 0.022 1.00 0.00 H new ATOM 166 N ASP A 11 -8.191 -11.345 -4.135 1.00 0.00 N ATOM 167 CA ASP A 11 -9.549 -11.608 -4.579 1.00 0.00 C ATOM 168 C ASP A 11 -10.028 -12.934 -3.987 1.00 0.00 C ATOM 169 O ASP A 11 -9.869 -13.987 -4.604 1.00 0.00 O ATOM 170 CB ASP A 11 -9.618 -11.717 -6.103 1.00 0.00 C ATOM 171 CG ASP A 11 -10.436 -10.625 -6.794 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.447 -10.149 -6.258 1.00 0.00 O ATOM 173 OD2 ASP A 11 -9.992 -10.258 -7.949 1.00 0.00 O ATOM 0 H ASP A 11 -7.564 -12.148 -4.183 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.178 -10.782 -4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.603 -11.695 -6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.042 -12.687 -6.364 1.00 0.00 H new ATOM 178 N VAL A 12 -10.603 -12.841 -2.798 1.00 0.00 N ATOM 179 CA VAL A 12 -11.106 -14.022 -2.116 1.00 0.00 C ATOM 180 C VAL A 12 -12.560 -14.263 -2.528 1.00 0.00 C ATOM 181 O VAL A 12 -13.306 -13.315 -2.770 1.00 0.00 O ATOM 182 CB VAL A 12 -10.931 -13.868 -0.603 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.287 -15.165 0.125 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.510 -13.417 -0.260 1.00 0.00 C ATOM 0 H VAL A 12 -10.732 -11.967 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.535 -14.903 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.619 -13.095 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.154 -15.028 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.325 -15.425 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.636 -15.967 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.412 -13.315 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.796 -14.157 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.308 -12.457 -0.735 1.00 0.00 H new ATOM 194 N LYS A 13 -12.920 -15.537 -2.593 1.00 0.00 N ATOM 195 CA LYS A 13 -14.271 -15.914 -2.972 1.00 0.00 C ATOM 196 C LYS A 13 -14.965 -16.572 -1.777 1.00 0.00 C ATOM 197 O LYS A 13 -14.412 -17.475 -1.153 1.00 0.00 O ATOM 198 CB LYS A 13 -14.251 -16.787 -4.228 1.00 0.00 C ATOM 199 CG LYS A 13 -15.341 -16.355 -5.213 1.00 0.00 C ATOM 200 CD LYS A 13 -14.732 -15.900 -6.539 1.00 0.00 C ATOM 201 CE LYS A 13 -15.819 -15.656 -7.587 1.00 0.00 C ATOM 202 NZ LYS A 13 -15.246 -15.011 -8.790 1.00 0.00 N ATOM 0 H LYS A 13 -12.300 -16.321 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.854 -15.031 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.275 -16.719 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.398 -17.831 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.026 -17.184 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.926 -15.544 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.159 -14.986 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.035 -16.656 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.286 -16.602 -7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.602 -15.025 -7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.998 -14.853 -9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.821 -14.099 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.515 -15.627 -9.200 1.00 0.00 H new ATOM 216 N PRO A 14 -16.200 -16.080 -1.488 1.00 0.00 N ATOM 217 CA PRO A 14 -16.976 -16.609 -0.379 1.00 0.00 C ATOM 218 C PRO A 14 -17.564 -17.978 -0.727 1.00 0.00 C ATOM 219 O PRO A 14 -17.628 -18.351 -1.897 1.00 0.00 O ATOM 220 CB PRO A 14 -18.038 -15.558 -0.105 1.00 0.00 C ATOM 221 CG PRO A 14 -18.111 -14.702 -1.359 1.00 0.00 C ATOM 222 CD PRO A 14 -16.887 -15.010 -2.206 1.00 0.00 C ATOM 0 HA PRO A 14 -16.372 -16.786 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.001 -16.022 0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.776 -14.955 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.024 -14.917 -1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.138 -13.644 -1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.169 -15.325 -3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.249 -14.133 -2.314 1.00 0.00 H new ATOM 230 N TRP A 15 -17.979 -18.689 0.312 1.00 0.00 N ATOM 231 CA TRP A 15 -18.561 -20.008 0.131 1.00 0.00 C ATOM 232 C TRP A 15 -19.929 -19.835 -0.535 1.00 0.00 C ATOM 233 O TRP A 15 -20.337 -20.664 -1.346 1.00 0.00 O ATOM 234 CB TRP A 15 -18.635 -20.761 1.460 1.00 0.00 C ATOM 235 CG TRP A 15 -17.565 -21.844 1.622 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.795 -22.089 2.692 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.176 -22.822 0.636 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.941 -23.150 2.467 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.180 -23.610 1.177 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.650 -23.035 -0.671 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.573 -24.663 0.483 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -17.032 -24.092 -1.351 1.00 0.00 C ATOM 243 CH2 TRP A 15 -16.029 -24.894 -0.820 1.00 0.00 C ATOM 0 H TRP A 15 -17.924 -18.376 1.281 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.934 -20.620 -0.517 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.540 -20.046 2.277 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.619 -21.220 1.551 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.838 -21.527 3.613 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.260 -23.527 3.126 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.428 -22.432 -1.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.795 -25.265 0.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.358 -24.298 -2.360 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.603 -25.692 -1.410 1.00 0.00 H new ATOM 254 N ASP A 16 -20.597 -18.752 -0.167 1.00 0.00 N ATOM 255 CA ASP A 16 -21.909 -18.459 -0.718 1.00 0.00 C ATOM 256 C ASP A 16 -22.459 -17.189 -0.068 1.00 0.00 C ATOM 257 O ASP A 16 -21.790 -16.570 0.760 1.00 0.00 O ATOM 258 CB ASP A 16 -22.891 -19.598 -0.434 1.00 0.00 C ATOM 259 CG ASP A 16 -23.352 -20.377 -1.668 1.00 0.00 C ATOM 260 OD1 ASP A 16 -24.279 -19.960 -2.378 1.00 0.00 O ATOM 261 OD2 ASP A 16 -22.708 -21.472 -1.893 1.00 0.00 O ATOM 0 H ASP A 16 -20.254 -18.067 0.506 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.802 -18.334 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.425 -20.294 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.768 -19.186 0.065 1.00 0.00 H new ATOM 266 N ASP A 17 -23.672 -16.835 -0.467 1.00 0.00 N ATOM 267 CA ASP A 17 -24.319 -15.648 0.066 1.00 0.00 C ATOM 268 C ASP A 17 -24.352 -15.733 1.594 1.00 0.00 C ATOM 269 O ASP A 17 -24.475 -14.716 2.273 1.00 0.00 O ATOM 270 CB ASP A 17 -25.761 -15.536 -0.433 1.00 0.00 C ATOM 271 CG ASP A 17 -26.692 -14.715 0.461 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.324 -13.636 0.949 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.858 -15.232 0.655 1.00 0.00 O ATOM 0 H ASP A 17 -24.224 -17.350 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.754 -14.777 -0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.752 -15.091 -1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -26.173 -16.540 -0.536 1.00 0.00 H new ATOM 278 N GLU A 18 -24.242 -16.958 2.089 1.00 0.00 N ATOM 279 CA GLU A 18 -24.258 -17.189 3.523 1.00 0.00 C ATOM 280 C GLU A 18 -23.052 -16.517 4.182 1.00 0.00 C ATOM 281 O GLU A 18 -23.136 -16.066 5.324 1.00 0.00 O ATOM 282 CB GLU A 18 -24.291 -18.686 3.837 1.00 0.00 C ATOM 283 CG GLU A 18 -22.978 -19.360 3.432 1.00 0.00 C ATOM 284 CD GLU A 18 -23.124 -20.883 3.423 1.00 0.00 C ATOM 285 OE1 GLU A 18 -23.092 -21.441 4.586 1.00 0.00 O ATOM 286 OE2 GLU A 18 -23.258 -21.487 2.348 1.00 0.00 O ATOM 0 H GLU A 18 -24.142 -17.800 1.522 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.165 -16.745 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.466 -18.834 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.122 -19.154 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.677 -19.014 2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.188 -19.071 4.125 1.00 0.00 H new ATOM 293 N THR A 19 -21.958 -16.472 3.436 1.00 0.00 N ATOM 294 CA THR A 19 -20.737 -15.863 3.934 1.00 0.00 C ATOM 295 C THR A 19 -20.904 -14.346 4.045 1.00 0.00 C ATOM 296 O THR A 19 -20.962 -13.649 3.033 1.00 0.00 O ATOM 297 CB THR A 19 -19.590 -16.282 3.013 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.279 -17.609 3.428 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.305 -15.496 3.284 1.00 0.00 C ATOM 0 H THR A 19 -21.892 -16.848 2.490 1.00 0.00 H new ATOM 0 HA THR A 19 -20.506 -16.207 4.942 1.00 0.00 H new ATOM 0 HB THR A 19 -19.889 -16.142 1.974 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.695 -18.250 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.523 -15.832 2.604 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.489 -14.433 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.987 -15.662 4.313 1.00 0.00 H new ATOM 307 N ASP A 20 -20.978 -13.880 5.283 1.00 0.00 N ATOM 308 CA ASP A 20 -21.137 -12.458 5.539 1.00 0.00 C ATOM 309 C ASP A 20 -19.930 -11.705 4.977 1.00 0.00 C ATOM 310 O ASP A 20 -18.787 -12.051 5.268 1.00 0.00 O ATOM 311 CB ASP A 20 -21.215 -12.174 7.040 1.00 0.00 C ATOM 312 CG ASP A 20 -22.609 -11.816 7.560 1.00 0.00 C ATOM 313 OD1 ASP A 20 -23.122 -10.747 7.051 1.00 0.00 O ATOM 314 OD2 ASP A 20 -23.175 -12.523 8.407 1.00 0.00 O ATOM 0 H ASP A 20 -20.931 -14.461 6.120 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.061 -12.131 5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.857 -13.051 7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -20.535 -11.355 7.275 1.00 0.00 H new ATOM 319 N MET A 21 -20.226 -10.688 4.181 1.00 0.00 N ATOM 320 CA MET A 21 -19.179 -9.882 3.575 1.00 0.00 C ATOM 321 C MET A 21 -18.716 -8.779 4.529 1.00 0.00 C ATOM 322 O MET A 21 -17.741 -8.083 4.250 1.00 0.00 O ATOM 323 CB MET A 21 -19.704 -9.253 2.282 1.00 0.00 C ATOM 324 CG MET A 21 -20.407 -10.295 1.412 1.00 0.00 C ATOM 325 SD MET A 21 -19.247 -11.558 0.912 1.00 0.00 S ATOM 326 CE MET A 21 -19.057 -11.139 -0.812 1.00 0.00 C ATOM 0 H MET A 21 -21.176 -10.403 3.941 1.00 0.00 H new ATOM 0 HA MET A 21 -18.328 -10.528 3.356 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.397 -8.446 2.521 1.00 0.00 H new ATOM 0 HB3 MET A 21 -18.877 -8.809 1.728 1.00 0.00 H new ATOM 0 HG2 MET A 21 -21.232 -10.745 1.965 1.00 0.00 H new ATOM 0 HG3 MET A 21 -20.837 -9.816 0.532 1.00 0.00 H new ATOM 0 HE1 MET A 21 -18.084 -11.481 -1.165 1.00 0.00 H new ATOM 0 HE2 MET A 21 -19.844 -11.621 -1.392 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.127 -10.058 -0.934 1.00 0.00 H new ATOM 336 N ALA A 22 -19.437 -8.654 5.634 1.00 0.00 N ATOM 337 CA ALA A 22 -19.111 -7.648 6.630 1.00 0.00 C ATOM 338 C ALA A 22 -18.028 -8.192 7.564 1.00 0.00 C ATOM 339 O ALA A 22 -17.155 -7.448 8.007 1.00 0.00 O ATOM 340 CB ALA A 22 -20.381 -7.245 7.382 1.00 0.00 C ATOM 0 H ALA A 22 -20.246 -9.233 5.861 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.715 -6.751 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.137 -6.490 8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.107 -6.838 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.805 -8.120 7.875 1.00 0.00 H new ATOM 346 N LYS A 23 -18.121 -9.485 7.834 1.00 0.00 N ATOM 347 CA LYS A 23 -17.160 -10.138 8.707 1.00 0.00 C ATOM 348 C LYS A 23 -15.911 -10.503 7.903 1.00 0.00 C ATOM 349 O LYS A 23 -14.791 -10.217 8.323 1.00 0.00 O ATOM 350 CB LYS A 23 -17.804 -11.331 9.416 1.00 0.00 C ATOM 351 CG LYS A 23 -19.300 -11.098 9.632 1.00 0.00 C ATOM 352 CD LYS A 23 -19.656 -11.161 11.119 1.00 0.00 C ATOM 353 CE LYS A 23 -21.089 -10.682 11.361 1.00 0.00 C ATOM 354 NZ LYS A 23 -22.017 -11.834 11.424 1.00 0.00 N ATOM 0 H LYS A 23 -18.847 -10.099 7.464 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.843 -9.459 9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.655 -12.234 8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.315 -11.495 10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.582 -10.126 9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.871 -11.849 9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.545 -12.183 11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.961 -10.544 11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.138 -10.117 12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -21.393 -10.006 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.891 -11.550 11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.245 -12.149 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.568 -12.613 11.946 1.00 0.00 H new ATOM 368 N LEU A 24 -16.145 -11.128 6.757 1.00 0.00 N ATOM 369 CA LEU A 24 -15.053 -11.533 5.890 1.00 0.00 C ATOM 370 C LEU A 24 -14.209 -10.308 5.531 1.00 0.00 C ATOM 371 O LEU A 24 -12.984 -10.393 5.460 1.00 0.00 O ATOM 372 CB LEU A 24 -15.589 -12.288 4.672 1.00 0.00 C ATOM 373 CG LEU A 24 -14.920 -13.631 4.367 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.460 -14.230 3.067 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.397 -13.491 4.343 1.00 0.00 C ATOM 0 H LEU A 24 -17.075 -11.363 6.410 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.396 -12.232 6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.656 -12.460 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.486 -11.646 3.797 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.168 -14.326 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.968 -15.183 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.535 -14.388 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.262 -13.546 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.946 -14.459 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.110 -12.775 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.049 -13.140 5.314 1.00 0.00 H new ATOM 387 N GLU A 25 -14.899 -9.198 5.316 1.00 0.00 N ATOM 388 CA GLU A 25 -14.228 -7.957 4.966 1.00 0.00 C ATOM 389 C GLU A 25 -13.557 -7.351 6.200 1.00 0.00 C ATOM 390 O GLU A 25 -12.369 -7.034 6.172 1.00 0.00 O ATOM 391 CB GLU A 25 -15.205 -6.965 4.331 1.00 0.00 C ATOM 392 CG GLU A 25 -14.470 -5.734 3.799 1.00 0.00 C ATOM 393 CD GLU A 25 -15.324 -4.475 3.954 1.00 0.00 C ATOM 394 OE1 GLU A 25 -15.480 -3.966 5.073 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.835 -4.024 2.858 1.00 0.00 O ATOM 0 H GLU A 25 -15.915 -9.132 5.377 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.457 -8.179 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.744 -7.451 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.948 -6.659 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.530 -5.608 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.220 -5.881 2.748 1.00 0.00 H new ATOM 402 N GLU A 26 -14.347 -7.208 7.254 1.00 0.00 N ATOM 403 CA GLU A 26 -13.844 -6.645 8.496 1.00 0.00 C ATOM 404 C GLU A 26 -12.630 -7.439 8.985 1.00 0.00 C ATOM 405 O GLU A 26 -11.552 -6.878 9.171 1.00 0.00 O ATOM 406 CB GLU A 26 -14.940 -6.605 9.563 1.00 0.00 C ATOM 407 CG GLU A 26 -15.855 -5.395 9.364 1.00 0.00 C ATOM 408 CD GLU A 26 -15.514 -4.282 10.358 1.00 0.00 C ATOM 409 OE1 GLU A 26 -14.464 -3.593 10.066 1.00 0.00 O ATOM 410 OE2 GLU A 26 -16.230 -4.100 11.354 1.00 0.00 O ATOM 0 H GLU A 26 -15.332 -7.472 7.274 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.530 -5.619 8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.528 -7.521 9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.487 -6.564 10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.754 -5.021 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.895 -5.696 9.491 1.00 0.00 H new ATOM 417 N CYS A 27 -12.849 -8.732 9.178 1.00 0.00 N ATOM 418 CA CYS A 27 -11.786 -9.607 9.641 1.00 0.00 C ATOM 419 C CYS A 27 -10.524 -9.302 8.833 1.00 0.00 C ATOM 420 O CYS A 27 -9.468 -9.030 9.402 1.00 0.00 O ATOM 421 CB CYS A 27 -12.185 -11.082 9.543 1.00 0.00 C ATOM 422 SG CYS A 27 -11.085 -12.099 10.593 1.00 0.00 S ATOM 0 H CYS A 27 -13.745 -9.193 9.022 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.592 -9.420 10.697 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.221 -11.209 9.858 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.123 -11.416 8.507 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.433 -13.348 10.504 1.00 0.00 H new ATOM 428 N VAL A 28 -10.674 -9.357 7.518 1.00 0.00 N ATOM 429 CA VAL A 28 -9.560 -9.090 6.625 1.00 0.00 C ATOM 430 C VAL A 28 -8.842 -7.818 7.079 1.00 0.00 C ATOM 431 O VAL A 28 -7.613 -7.752 7.058 1.00 0.00 O ATOM 432 CB VAL A 28 -10.055 -9.013 5.179 1.00 0.00 C ATOM 433 CG1 VAL A 28 -9.392 -7.852 4.434 1.00 0.00 C ATOM 434 CG2 VAL A 28 -9.822 -10.337 4.449 1.00 0.00 C ATOM 0 H VAL A 28 -11.551 -9.583 7.049 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.836 -9.904 6.664 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.129 -8.827 5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.761 -7.819 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.631 -6.914 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.311 -7.994 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.183 -10.255 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.756 -10.566 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.361 -11.134 4.961 1.00 0.00 H new ATOM 444 N ARG A 29 -9.638 -6.838 7.481 1.00 0.00 N ATOM 445 CA ARG A 29 -9.094 -5.572 7.939 1.00 0.00 C ATOM 446 C ARG A 29 -8.498 -5.726 9.340 1.00 0.00 C ATOM 447 O ARG A 29 -7.344 -5.370 9.571 1.00 0.00 O ATOM 448 CB ARG A 29 -10.172 -4.486 7.968 1.00 0.00 C ATOM 449 CG ARG A 29 -10.057 -3.566 6.751 1.00 0.00 C ATOM 450 CD ARG A 29 -9.001 -2.482 6.982 1.00 0.00 C ATOM 451 NE ARG A 29 -9.650 -1.236 7.447 1.00 0.00 N ATOM 452 CZ ARG A 29 -10.493 -0.505 6.706 1.00 0.00 C ATOM 453 NH1 ARG A 29 -10.795 -0.892 5.458 1.00 0.00 N ATOM 454 NH2 ARG A 29 -11.034 0.612 7.211 1.00 0.00 N ATOM 0 H ARG A 29 -10.656 -6.896 7.499 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.314 -5.274 7.238 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.159 -4.949 7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.078 -3.899 8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.795 -4.153 5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.022 -3.102 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.275 -2.821 7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.453 -2.294 6.059 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.442 -0.913 8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.383 -1.742 5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.437 -0.336 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.804 0.906 8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.676 1.168 6.646 1.00 0.00 H new ATOM 468 N SER A 30 -9.314 -6.257 10.240 1.00 0.00 N ATOM 469 CA SER A 30 -8.882 -6.464 11.611 1.00 0.00 C ATOM 470 C SER A 30 -7.427 -6.937 11.637 1.00 0.00 C ATOM 471 O SER A 30 -6.624 -6.443 12.426 1.00 0.00 O ATOM 472 CB SER A 30 -9.782 -7.475 12.326 1.00 0.00 C ATOM 473 OG SER A 30 -9.313 -8.810 12.171 1.00 0.00 O ATOM 0 H SER A 30 -10.272 -6.550 10.046 1.00 0.00 H new ATOM 0 HA SER A 30 -8.957 -5.514 12.140 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.832 -7.229 13.387 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.796 -7.399 11.933 1.00 0.00 H new ATOM 0 HG SER A 30 -9.355 -9.064 11.225 1.00 0.00 H new ATOM 479 N ILE A 31 -7.133 -7.890 10.765 1.00 0.00 N ATOM 480 CA ILE A 31 -5.790 -8.436 10.677 1.00 0.00 C ATOM 481 C ILE A 31 -4.775 -7.291 10.720 1.00 0.00 C ATOM 482 O ILE A 31 -4.895 -6.323 9.971 1.00 0.00 O ATOM 483 CB ILE A 31 -5.654 -9.331 9.443 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.309 -10.694 9.681 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.190 -9.465 9.021 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.929 -11.236 8.392 1.00 0.00 C ATOM 0 H ILE A 31 -7.803 -8.298 10.113 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.584 -9.079 11.533 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.184 -8.857 8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.566 -11.398 10.056 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.078 -10.603 10.448 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.122 -10.106 8.142 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.788 -8.480 8.784 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.615 -9.905 9.836 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.388 -12.205 8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.688 -10.541 8.033 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.153 -11.348 7.634 1.00 0.00 H new ATOM 498 N GLN A 32 -3.799 -7.441 11.603 1.00 0.00 N ATOM 499 CA GLN A 32 -2.765 -6.432 11.754 1.00 0.00 C ATOM 500 C GLN A 32 -1.459 -7.077 12.220 1.00 0.00 C ATOM 501 O GLN A 32 -1.466 -7.940 13.096 1.00 0.00 O ATOM 502 CB GLN A 32 -3.208 -5.332 12.720 1.00 0.00 C ATOM 503 CG GLN A 32 -2.776 -3.953 12.216 1.00 0.00 C ATOM 504 CD GLN A 32 -3.194 -2.855 13.196 1.00 0.00 C ATOM 505 OE1 GLN A 32 -3.841 -3.099 14.202 1.00 0.00 O ATOM 506 NE2 GLN A 32 -2.790 -1.636 12.849 1.00 0.00 N ATOM 0 H GLN A 32 -3.702 -8.246 12.221 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.593 -5.968 10.783 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.292 -5.358 12.834 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.779 -5.514 13.705 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.694 -3.933 12.082 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.222 -3.763 11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.251 -1.502 11.993 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.019 -0.836 13.439 1.00 0.00 H new ATOM 515 N ALA A 33 -0.367 -6.633 11.614 1.00 0.00 N ATOM 516 CA ALA A 33 0.945 -7.156 11.956 1.00 0.00 C ATOM 517 C ALA A 33 2.000 -6.076 11.710 1.00 0.00 C ATOM 518 O ALA A 33 1.720 -5.064 11.069 1.00 0.00 O ATOM 519 CB ALA A 33 1.214 -8.428 11.150 1.00 0.00 C ATOM 0 H ALA A 33 -0.364 -5.917 10.888 1.00 0.00 H new ATOM 0 HA ALA A 33 0.988 -7.424 13.012 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.198 -8.820 11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.454 -9.174 11.383 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.182 -8.198 10.085 1.00 0.00 H new ATOM 525 N ASP A 34 3.192 -6.327 12.232 1.00 0.00 N ATOM 526 CA ASP A 34 4.289 -5.388 12.077 1.00 0.00 C ATOM 527 C ASP A 34 4.677 -5.304 10.599 1.00 0.00 C ATOM 528 O ASP A 34 4.725 -6.319 9.908 1.00 0.00 O ATOM 529 CB ASP A 34 5.520 -5.847 12.862 1.00 0.00 C ATOM 530 CG ASP A 34 6.284 -4.730 13.578 1.00 0.00 C ATOM 531 OD1 ASP A 34 6.996 -3.937 12.945 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.122 -4.691 14.857 1.00 0.00 O ATOM 0 H ASP A 34 3.422 -7.167 12.763 1.00 0.00 H new ATOM 0 HA ASP A 34 3.960 -4.419 12.453 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.207 -6.584 13.601 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.202 -6.352 12.177 1.00 0.00 H new ATOM 537 N GLY A 35 4.944 -4.082 10.160 1.00 0.00 N ATOM 538 CA GLY A 35 5.326 -3.852 8.777 1.00 0.00 C ATOM 539 C GLY A 35 4.168 -4.170 7.829 1.00 0.00 C ATOM 540 O GLY A 35 4.345 -4.185 6.611 1.00 0.00 O ATOM 0 H GLY A 35 4.903 -3.242 10.737 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.632 -2.814 8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.187 -4.471 8.526 1.00 0.00 H new ATOM 544 N LEU A 36 3.008 -4.415 8.422 1.00 0.00 N ATOM 545 CA LEU A 36 1.823 -4.731 7.645 1.00 0.00 C ATOM 546 C LEU A 36 0.821 -3.581 7.760 1.00 0.00 C ATOM 547 O LEU A 36 0.615 -3.039 8.845 1.00 0.00 O ATOM 548 CB LEU A 36 1.252 -6.088 8.066 1.00 0.00 C ATOM 549 CG LEU A 36 -0.129 -6.437 7.509 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.063 -6.696 6.002 1.00 0.00 C ATOM 551 CD2 LEU A 36 -0.744 -7.615 8.267 1.00 0.00 C ATOM 0 H LEU A 36 2.865 -4.401 9.432 1.00 0.00 H new ATOM 0 HA LEU A 36 2.076 -4.830 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.952 -6.865 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.200 -6.116 9.154 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.785 -5.580 7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.058 -6.942 5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.303 -5.803 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.613 -7.528 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.725 -7.843 7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.098 -8.487 8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.848 -7.355 9.321 1.00 0.00 H new ATOM 563 N VAL A 37 0.225 -3.243 6.626 1.00 0.00 N ATOM 564 CA VAL A 37 -0.751 -2.166 6.586 1.00 0.00 C ATOM 565 C VAL A 37 -1.868 -2.532 5.606 1.00 0.00 C ATOM 566 O VAL A 37 -1.609 -3.118 4.557 1.00 0.00 O ATOM 567 CB VAL A 37 -0.060 -0.846 6.238 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.086 0.258 5.979 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.922 -0.436 7.338 1.00 0.00 C ATOM 0 H VAL A 37 0.399 -3.695 5.728 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.209 -2.029 7.566 1.00 0.00 H new ATOM 0 HB VAL A 37 0.508 -0.996 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.568 1.185 5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.728 -0.030 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.694 0.407 6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.400 0.505 7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.384 -0.312 8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.682 -1.209 7.454 1.00 0.00 H new ATOM 579 N TRP A 38 -3.085 -2.171 5.985 1.00 0.00 N ATOM 580 CA TRP A 38 -4.242 -2.454 5.152 1.00 0.00 C ATOM 581 C TRP A 38 -4.566 -1.193 4.348 1.00 0.00 C ATOM 582 O TRP A 38 -3.843 -0.201 4.426 1.00 0.00 O ATOM 583 CB TRP A 38 -5.420 -2.942 5.999 1.00 0.00 C ATOM 584 CG TRP A 38 -5.357 -4.429 6.355 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.125 -4.981 7.553 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.537 -5.538 5.449 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.143 -6.359 7.488 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.402 -6.709 6.168 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.806 -5.552 4.070 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.520 -7.979 5.591 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.921 -6.830 3.509 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.788 -8.017 4.218 1.00 0.00 C ATOM 0 H TRP A 38 -3.295 -1.685 6.857 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.027 -3.265 4.456 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.458 -2.360 6.920 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.347 -2.747 5.460 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.946 -4.418 8.457 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.994 -7.002 8.265 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.915 -4.648 3.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.410 -8.881 6.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.128 -6.897 2.451 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.891 -8.965 3.712 1.00 0.00 H new ATOM 603 N GLY A 39 -5.652 -1.274 3.594 1.00 0.00 N ATOM 604 CA GLY A 39 -6.081 -0.152 2.776 1.00 0.00 C ATOM 605 C GLY A 39 -7.602 -0.139 2.615 1.00 0.00 C ATOM 606 O GLY A 39 -8.334 -0.353 3.580 1.00 0.00 O ATOM 0 H GLY A 39 -6.248 -2.099 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.752 0.782 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.609 -0.211 1.795 1.00 0.00 H new ATOM 610 N SER A 40 -8.033 0.112 1.388 1.00 0.00 N ATOM 611 CA SER A 40 -9.454 0.155 1.088 1.00 0.00 C ATOM 612 C SER A 40 -9.853 -1.073 0.268 1.00 0.00 C ATOM 613 O SER A 40 -9.230 -1.374 -0.749 1.00 0.00 O ATOM 614 CB SER A 40 -9.820 1.437 0.338 1.00 0.00 C ATOM 615 OG SER A 40 -9.324 2.600 0.994 1.00 0.00 O ATOM 0 H SER A 40 -7.423 0.288 0.590 1.00 0.00 H new ATOM 0 HA SER A 40 -10.003 0.149 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.417 1.392 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.904 1.507 0.247 1.00 0.00 H new ATOM 0 HG SER A 40 -9.577 3.397 0.483 1.00 0.00 H new ATOM 621 N SER A 41 -10.890 -1.749 0.739 1.00 0.00 N ATOM 622 CA SER A 41 -11.380 -2.937 0.061 1.00 0.00 C ATOM 623 C SER A 41 -12.406 -2.546 -1.004 1.00 0.00 C ATOM 624 O SER A 41 -12.933 -1.436 -0.987 1.00 0.00 O ATOM 625 CB SER A 41 -11.997 -3.923 1.056 1.00 0.00 C ATOM 626 OG SER A 41 -13.163 -3.394 1.679 1.00 0.00 O ATOM 0 H SER A 41 -11.405 -1.497 1.583 1.00 0.00 H new ATOM 0 HA SER A 41 -10.535 -3.429 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.251 -4.849 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.261 -4.176 1.819 1.00 0.00 H new ATOM 0 HG SER A 41 -13.094 -3.504 2.650 1.00 0.00 H new ATOM 632 N LYS A 42 -12.658 -3.482 -1.908 1.00 0.00 N ATOM 633 CA LYS A 42 -13.611 -3.251 -2.979 1.00 0.00 C ATOM 634 C LYS A 42 -14.594 -4.421 -3.045 1.00 0.00 C ATOM 635 O LYS A 42 -14.282 -5.523 -2.598 1.00 0.00 O ATOM 636 CB LYS A 42 -12.881 -2.986 -4.297 1.00 0.00 C ATOM 637 CG LYS A 42 -11.582 -2.213 -4.060 1.00 0.00 C ATOM 638 CD LYS A 42 -10.951 -1.781 -5.384 1.00 0.00 C ATOM 639 CE LYS A 42 -11.834 -0.761 -6.106 1.00 0.00 C ATOM 640 NZ LYS A 42 -11.170 0.561 -6.150 1.00 0.00 N ATOM 0 H LYS A 42 -12.218 -4.402 -1.920 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.197 -2.354 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.660 -3.932 -4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.528 -2.420 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.784 -1.335 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.880 -2.836 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.968 -1.349 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.801 -2.653 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.042 -1.104 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.793 -0.676 -5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.783 1.241 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.994 0.894 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.266 0.479 -6.657 1.00 0.00 H new ATOM 654 N LEU A 43 -15.761 -4.142 -3.607 1.00 0.00 N ATOM 655 CA LEU A 43 -16.791 -5.159 -3.737 1.00 0.00 C ATOM 656 C LEU A 43 -17.179 -5.300 -5.210 1.00 0.00 C ATOM 657 O LEU A 43 -17.049 -4.352 -5.984 1.00 0.00 O ATOM 658 CB LEU A 43 -17.973 -4.845 -2.818 1.00 0.00 C ATOM 659 CG LEU A 43 -17.977 -5.556 -1.463 1.00 0.00 C ATOM 660 CD1 LEU A 43 -18.012 -7.075 -1.642 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.792 -5.108 -0.605 1.00 0.00 C ATOM 0 H LEU A 43 -16.016 -3.227 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.412 -6.128 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.995 -3.770 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.894 -5.101 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.885 -5.273 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -18.014 -7.557 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.913 -7.356 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -17.134 -7.396 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.819 -5.628 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.861 -5.343 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.851 -4.033 -0.435 1.00 0.00 H new ATOM 673 N VAL A 44 -17.646 -6.491 -5.554 1.00 0.00 N ATOM 674 CA VAL A 44 -18.055 -6.769 -6.921 1.00 0.00 C ATOM 675 C VAL A 44 -19.124 -7.862 -6.918 1.00 0.00 C ATOM 676 O VAL A 44 -18.806 -9.046 -6.805 1.00 0.00 O ATOM 677 CB VAL A 44 -16.833 -7.129 -7.769 1.00 0.00 C ATOM 678 CG1 VAL A 44 -17.248 -7.534 -9.184 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.828 -5.975 -7.801 1.00 0.00 C ATOM 0 H VAL A 44 -17.750 -7.275 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.499 -5.883 -7.374 1.00 0.00 H new ATOM 0 HB VAL A 44 -16.344 -7.986 -7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -16.361 -7.785 -9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.907 -8.401 -9.136 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.772 -6.706 -9.661 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.969 -6.257 -8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.302 -5.092 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.496 -5.753 -6.787 1.00 0.00 H new ATOM 689 N PRO A 45 -20.402 -7.418 -7.046 1.00 0.00 N ATOM 690 CA PRO A 45 -21.520 -8.346 -7.059 1.00 0.00 C ATOM 691 C PRO A 45 -21.606 -9.083 -8.397 1.00 0.00 C ATOM 692 O PRO A 45 -21.480 -8.471 -9.457 1.00 0.00 O ATOM 693 CB PRO A 45 -22.744 -7.491 -6.773 1.00 0.00 C ATOM 694 CG PRO A 45 -22.332 -6.058 -7.070 1.00 0.00 C ATOM 695 CD PRO A 45 -20.816 -6.024 -7.183 1.00 0.00 C ATOM 0 HA PRO A 45 -21.419 -9.136 -6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.585 -7.793 -7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -23.062 -7.599 -5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.792 -5.712 -7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.671 -5.391 -6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -20.500 -5.609 -8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.375 -5.402 -6.404 1.00 0.00 H new ATOM 703 N VAL A 46 -21.818 -10.387 -8.305 1.00 0.00 N ATOM 704 CA VAL A 46 -21.922 -11.215 -9.494 1.00 0.00 C ATOM 705 C VAL A 46 -22.880 -12.376 -9.221 1.00 0.00 C ATOM 706 O VAL A 46 -22.595 -13.518 -9.581 1.00 0.00 O ATOM 707 CB VAL A 46 -20.531 -11.678 -9.933 1.00 0.00 C ATOM 708 CG1 VAL A 46 -19.855 -12.499 -8.833 1.00 0.00 C ATOM 709 CG2 VAL A 46 -20.603 -12.467 -11.241 1.00 0.00 C ATOM 0 H VAL A 46 -21.921 -10.891 -7.424 1.00 0.00 H new ATOM 0 HA VAL A 46 -22.336 -10.641 -10.323 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.923 -10.791 -10.111 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -18.868 -12.816 -9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -19.753 -11.890 -7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.461 -13.377 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -19.601 -12.784 -11.530 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.235 -13.344 -11.103 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.024 -11.836 -12.024 1.00 0.00 H new ATOM 719 N GLY A 47 -23.994 -12.044 -8.587 1.00 0.00 N ATOM 720 CA GLY A 47 -24.996 -13.046 -8.262 1.00 0.00 C ATOM 721 C GLY A 47 -25.791 -12.643 -7.017 1.00 0.00 C ATOM 722 O GLY A 47 -25.278 -12.709 -5.901 1.00 0.00 O ATOM 0 H GLY A 47 -24.226 -11.096 -8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.674 -13.174 -9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.512 -14.008 -8.093 1.00 0.00 H new ATOM 726 N TYR A 48 -27.029 -12.234 -7.252 1.00 0.00 N ATOM 727 CA TYR A 48 -27.898 -11.820 -6.164 1.00 0.00 C ATOM 728 C TYR A 48 -27.698 -12.707 -4.933 1.00 0.00 C ATOM 729 O TYR A 48 -28.279 -13.787 -4.840 1.00 0.00 O ATOM 730 CB TYR A 48 -29.329 -11.997 -6.677 1.00 0.00 C ATOM 731 CG TYR A 48 -30.331 -11.003 -6.084 1.00 0.00 C ATOM 732 CD1 TYR A 48 -30.345 -9.695 -6.521 1.00 0.00 C ATOM 733 CD2 TYR A 48 -31.217 -11.417 -5.111 1.00 0.00 C ATOM 734 CE1 TYR A 48 -31.288 -8.760 -5.963 1.00 0.00 C ATOM 735 CE2 TYR A 48 -32.160 -10.482 -4.553 1.00 0.00 C ATOM 736 CZ TYR A 48 -32.149 -9.200 -5.006 1.00 0.00 C ATOM 737 OH TYR A 48 -33.039 -8.317 -4.479 1.00 0.00 O ATOM 0 H TYR A 48 -27.451 -12.181 -8.179 1.00 0.00 H new ATOM 0 HA TYR A 48 -27.682 -10.793 -5.871 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -29.330 -11.894 -7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -29.662 -13.010 -6.452 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -29.649 -9.372 -7.281 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -31.204 -12.441 -4.768 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -31.311 -7.733 -6.297 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -32.860 -10.792 -3.792 1.00 0.00 H new ATOM 0 HH TYR A 48 -33.591 -8.770 -3.808 1.00 0.00 H new ATOM 747 N GLY A 49 -26.872 -12.218 -4.019 1.00 0.00 N ATOM 748 CA GLY A 49 -26.588 -12.952 -2.799 1.00 0.00 C ATOM 749 C GLY A 49 -25.080 -13.088 -2.580 1.00 0.00 C ATOM 750 O GLY A 49 -24.586 -12.860 -1.477 1.00 0.00 O ATOM 0 H GLY A 49 -26.391 -11.322 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.038 -12.439 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.042 -13.941 -2.851 1.00 0.00 H new ATOM 754 N ILE A 50 -24.391 -13.461 -3.648 1.00 0.00 N ATOM 755 CA ILE A 50 -22.948 -13.630 -3.587 1.00 0.00 C ATOM 756 C ILE A 50 -22.268 -12.338 -4.042 1.00 0.00 C ATOM 757 O ILE A 50 -22.873 -11.524 -4.738 1.00 0.00 O ATOM 758 CB ILE A 50 -22.519 -14.864 -4.383 1.00 0.00 C ATOM 759 CG1 ILE A 50 -23.061 -16.144 -3.744 1.00 0.00 C ATOM 760 CG2 ILE A 50 -21.000 -14.906 -4.552 1.00 0.00 C ATOM 761 CD1 ILE A 50 -24.167 -16.761 -4.603 1.00 0.00 C ATOM 0 H ILE A 50 -24.804 -13.651 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.629 -13.814 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.952 -14.795 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.251 -16.862 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.449 -15.922 -2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.722 -15.793 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.668 -14.014 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.526 -14.941 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.534 -17.669 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.986 -16.049 -4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.769 -17.004 -5.588 1.00 0.00 H new ATOM 773 N LYS A 51 -21.017 -12.188 -3.630 1.00 0.00 N ATOM 774 CA LYS A 51 -20.248 -11.009 -3.986 1.00 0.00 C ATOM 775 C LYS A 51 -18.756 -11.346 -3.945 1.00 0.00 C ATOM 776 O LYS A 51 -18.360 -12.355 -3.363 1.00 0.00 O ATOM 777 CB LYS A 51 -20.635 -9.826 -3.096 1.00 0.00 C ATOM 778 CG LYS A 51 -21.453 -8.796 -3.877 1.00 0.00 C ATOM 779 CD LYS A 51 -22.215 -7.868 -2.929 1.00 0.00 C ATOM 780 CE LYS A 51 -23.392 -8.596 -2.278 1.00 0.00 C ATOM 781 NZ LYS A 51 -24.673 -7.976 -2.684 1.00 0.00 N ATOM 0 H LYS A 51 -20.517 -12.864 -3.053 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.478 -10.700 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.212 -10.182 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.735 -9.356 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.792 -8.208 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.156 -9.307 -4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.540 -7.497 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.579 -7.000 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.382 -9.647 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.293 -8.563 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.462 -8.482 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.686 -6.980 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.773 -8.030 -3.718 1.00 0.00 H new ATOM 795 N LYS A 52 -17.969 -10.484 -4.571 1.00 0.00 N ATOM 796 CA LYS A 52 -16.530 -10.679 -4.613 1.00 0.00 C ATOM 797 C LYS A 52 -15.903 -10.097 -3.345 1.00 0.00 C ATOM 798 O LYS A 52 -16.275 -9.009 -2.907 1.00 0.00 O ATOM 799 CB LYS A 52 -15.949 -10.102 -5.906 1.00 0.00 C ATOM 800 CG LYS A 52 -15.055 -11.126 -6.610 1.00 0.00 C ATOM 801 CD LYS A 52 -14.282 -10.479 -7.762 1.00 0.00 C ATOM 802 CE LYS A 52 -14.644 -11.131 -9.098 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.478 -11.852 -9.655 1.00 0.00 N ATOM 0 H LYS A 52 -18.301 -9.649 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.290 -11.742 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.759 -9.803 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.373 -9.204 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.355 -11.556 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.665 -11.945 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.505 -9.413 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.211 -10.574 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.474 -11.823 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.979 -10.369 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.741 -12.289 -10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.696 -11.183 -9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.177 -12.592 -8.989 1.00 0.00 H new ATOM 817 N LEU A 53 -14.963 -10.847 -2.789 1.00 0.00 N ATOM 818 CA LEU A 53 -14.282 -10.419 -1.579 1.00 0.00 C ATOM 819 C LEU A 53 -12.906 -9.858 -1.945 1.00 0.00 C ATOM 820 O LEU A 53 -11.881 -10.418 -1.560 1.00 0.00 O ATOM 821 CB LEU A 53 -14.229 -11.561 -0.562 1.00 0.00 C ATOM 822 CG LEU A 53 -14.807 -11.254 0.821 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.801 -10.481 1.676 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.144 -10.521 0.707 1.00 0.00 C ATOM 0 H LEU A 53 -14.657 -11.749 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.836 -9.616 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.764 -12.415 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.189 -11.865 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.001 -12.200 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.237 -10.275 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.896 -11.076 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.553 -9.540 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.532 -10.315 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.000 -9.582 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.854 -11.143 0.162 1.00 0.00 H new ATOM 836 N GLN A 54 -12.929 -8.758 -2.684 1.00 0.00 N ATOM 837 CA GLN A 54 -11.696 -8.114 -3.106 1.00 0.00 C ATOM 838 C GLN A 54 -11.258 -7.077 -2.070 1.00 0.00 C ATOM 839 O GLN A 54 -12.081 -6.323 -1.554 1.00 0.00 O ATOM 840 CB GLN A 54 -11.856 -7.476 -4.487 1.00 0.00 C ATOM 841 CG GLN A 54 -10.657 -6.585 -4.821 1.00 0.00 C ATOM 842 CD GLN A 54 -10.409 -6.545 -6.330 1.00 0.00 C ATOM 843 OE1 GLN A 54 -10.850 -5.651 -7.035 1.00 0.00 O ATOM 844 NE2 GLN A 54 -9.680 -7.559 -6.786 1.00 0.00 N ATOM 0 H GLN A 54 -13.782 -8.297 -3.001 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.919 -8.874 -3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.956 -8.255 -5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.772 -6.885 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.835 -5.575 -4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.768 -6.959 -4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.342 -8.274 -6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.459 -7.622 -7.780 1.00 0.00 H new ATOM 853 N ILE A 55 -9.961 -7.073 -1.796 1.00 0.00 N ATOM 854 CA ILE A 55 -9.403 -6.141 -0.831 1.00 0.00 C ATOM 855 C ILE A 55 -7.961 -5.812 -1.222 1.00 0.00 C ATOM 856 O ILE A 55 -7.357 -6.515 -2.031 1.00 0.00 O ATOM 857 CB ILE A 55 -9.545 -6.692 0.589 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.257 -7.384 1.040 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.762 -7.613 0.701 1.00 0.00 C ATOM 860 CD1 ILE A 55 -8.004 -8.655 0.226 1.00 0.00 C ATOM 0 H ILE A 55 -9.281 -7.700 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.958 -5.203 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.713 -5.854 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.415 -6.702 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.325 -7.633 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.840 -7.991 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.665 -7.055 0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.650 -8.450 0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.083 -9.128 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.837 -9.345 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.912 -8.399 -0.829 1.00 0.00 H new ATOM 872 N GLN A 56 -7.451 -4.743 -0.629 1.00 0.00 N ATOM 873 CA GLN A 56 -6.090 -4.312 -0.904 1.00 0.00 C ATOM 874 C GLN A 56 -5.331 -4.081 0.404 1.00 0.00 C ATOM 875 O GLN A 56 -5.898 -3.584 1.376 1.00 0.00 O ATOM 876 CB GLN A 56 -6.080 -3.053 -1.774 1.00 0.00 C ATOM 877 CG GLN A 56 -4.656 -2.526 -1.958 1.00 0.00 C ATOM 878 CD GLN A 56 -4.483 -1.164 -1.281 1.00 0.00 C ATOM 879 OE1 GLN A 56 -3.597 -0.954 -0.469 1.00 0.00 O ATOM 880 NE2 GLN A 56 -5.376 -0.255 -1.660 1.00 0.00 N ATOM 0 H GLN A 56 -7.955 -4.162 0.041 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.584 -5.102 -1.459 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.518 -3.275 -2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.700 -2.284 -1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.944 -3.237 -1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.431 -2.439 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.092 -0.498 -2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.345 0.685 -1.266 1.00 0.00 H new ATOM 889 N CYS A 57 -4.060 -4.454 0.386 1.00 0.00 N ATOM 890 CA CYS A 57 -3.217 -4.294 1.559 1.00 0.00 C ATOM 891 C CYS A 57 -1.949 -3.546 1.141 1.00 0.00 C ATOM 892 O CYS A 57 -1.774 -3.222 -0.032 1.00 0.00 O ATOM 893 CB CYS A 57 -2.897 -5.639 2.213 1.00 0.00 C ATOM 894 SG CYS A 57 -2.353 -6.840 0.943 1.00 0.00 S ATOM 0 H CYS A 57 -3.593 -4.866 -0.422 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.747 -3.714 2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.116 -5.511 2.963 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.777 -6.019 2.731 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.034 -6.656 -0.149 1.00 0.00 H new ATOM 900 N VAL A 58 -1.098 -3.294 2.124 1.00 0.00 N ATOM 901 CA VAL A 58 0.148 -2.590 1.873 1.00 0.00 C ATOM 902 C VAL A 58 1.260 -3.213 2.720 1.00 0.00 C ATOM 903 O VAL A 58 1.284 -3.049 3.939 1.00 0.00 O ATOM 904 CB VAL A 58 -0.034 -1.094 2.133 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.259 -0.326 1.848 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.198 -0.532 1.314 1.00 0.00 C ATOM 0 H VAL A 58 -1.247 -3.565 3.096 1.00 0.00 H new ATOM 0 HA VAL A 58 0.440 -2.691 0.828 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.274 -0.965 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.102 0.735 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.054 -0.699 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.544 -0.467 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.305 0.533 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.001 -0.680 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.118 -1.048 1.588 1.00 0.00 H new ATOM 916 N VAL A 59 2.155 -3.916 2.041 1.00 0.00 N ATOM 917 CA VAL A 59 3.266 -4.565 2.714 1.00 0.00 C ATOM 918 C VAL A 59 4.473 -3.624 2.720 1.00 0.00 C ATOM 919 O VAL A 59 4.493 -2.629 1.996 1.00 0.00 O ATOM 920 CB VAL A 59 3.562 -5.913 2.057 1.00 0.00 C ATOM 921 CG1 VAL A 59 2.268 -6.626 1.660 1.00 0.00 C ATOM 922 CG2 VAL A 59 4.488 -5.744 0.851 1.00 0.00 C ATOM 0 H VAL A 59 2.133 -4.050 1.030 1.00 0.00 H new ATOM 0 HA VAL A 59 3.012 -4.775 3.753 1.00 0.00 H new ATOM 0 HB VAL A 59 4.076 -6.536 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.507 -7.582 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.659 -6.797 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.714 -6.008 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.682 -6.718 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.013 -5.094 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.429 -5.299 1.174 1.00 0.00 H new ATOM 932 N GLU A 60 5.451 -3.971 3.544 1.00 0.00 N ATOM 933 CA GLU A 60 6.659 -3.171 3.652 1.00 0.00 C ATOM 934 C GLU A 60 7.768 -3.764 2.781 1.00 0.00 C ATOM 935 O GLU A 60 8.307 -4.824 3.093 1.00 0.00 O ATOM 936 CB GLU A 60 7.109 -3.053 5.110 1.00 0.00 C ATOM 937 CG GLU A 60 8.616 -2.809 5.199 1.00 0.00 C ATOM 938 CD GLU A 60 8.961 -1.940 6.410 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.137 -2.464 7.519 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.044 -0.676 6.168 1.00 0.00 O ATOM 0 H GLU A 60 5.431 -4.796 4.143 1.00 0.00 H new ATOM 0 HA GLU A 60 6.440 -2.166 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.575 -2.235 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.852 -3.965 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.139 -3.763 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.964 -2.323 4.287 1.00 0.00 H new ATOM 947 N ASP A 61 8.076 -3.052 1.706 1.00 0.00 N ATOM 948 CA ASP A 61 9.112 -3.494 0.788 1.00 0.00 C ATOM 949 C ASP A 61 8.898 -4.973 0.460 1.00 0.00 C ATOM 950 O ASP A 61 8.169 -5.307 -0.473 1.00 0.00 O ATOM 951 CB ASP A 61 10.500 -3.345 1.411 1.00 0.00 C ATOM 952 CG ASP A 61 11.608 -4.147 0.725 1.00 0.00 C ATOM 953 OD1 ASP A 61 11.870 -3.977 -0.475 1.00 0.00 O ATOM 954 OD2 ASP A 61 12.223 -4.989 1.485 1.00 0.00 O ATOM 0 H ASP A 61 7.626 -2.173 1.451 1.00 0.00 H new ATOM 0 HA ASP A 61 9.052 -2.879 -0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.775 -2.290 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.447 -3.649 2.456 1.00 0.00 H new ATOM 959 N ASP A 62 9.548 -5.821 1.244 1.00 0.00 N ATOM 960 CA ASP A 62 9.439 -7.256 1.048 1.00 0.00 C ATOM 961 C ASP A 62 9.520 -7.960 2.405 1.00 0.00 C ATOM 962 O ASP A 62 9.892 -9.129 2.480 1.00 0.00 O ATOM 963 CB ASP A 62 10.580 -7.782 0.174 1.00 0.00 C ATOM 964 CG ASP A 62 10.179 -8.859 -0.834 1.00 0.00 C ATOM 965 OD1 ASP A 62 9.559 -8.425 -1.878 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.445 -10.053 -0.633 1.00 0.00 O ATOM 0 H ASP A 62 10.152 -5.541 2.017 1.00 0.00 H new ATOM 0 HA ASP A 62 8.487 -7.457 0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.018 -6.944 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.358 -8.184 0.822 1.00 0.00 H new ATOM 971 N LYS A 63 9.163 -7.217 3.442 1.00 0.00 N ATOM 972 CA LYS A 63 9.190 -7.754 4.792 1.00 0.00 C ATOM 973 C LYS A 63 7.884 -8.501 5.065 1.00 0.00 C ATOM 974 O LYS A 63 7.885 -9.541 5.722 1.00 0.00 O ATOM 975 CB LYS A 63 9.489 -6.646 5.805 1.00 0.00 C ATOM 976 CG LYS A 63 10.643 -7.043 6.727 1.00 0.00 C ATOM 977 CD LYS A 63 11.986 -6.592 6.151 1.00 0.00 C ATOM 978 CE LYS A 63 12.442 -7.525 5.027 1.00 0.00 C ATOM 979 NZ LYS A 63 13.796 -7.151 4.561 1.00 0.00 N ATOM 0 H LYS A 63 8.853 -6.247 3.375 1.00 0.00 H new ATOM 0 HA LYS A 63 9.999 -8.477 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.740 -5.725 5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.598 -6.441 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.497 -6.597 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.647 -8.124 6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.899 -5.574 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.737 -6.574 6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.444 -8.556 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.738 -7.475 4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.091 -7.794 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.783 -6.174 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.467 -7.222 5.352 1.00 0.00 H new ATOM 993 N VAL A 64 6.800 -7.942 4.548 1.00 0.00 N ATOM 994 CA VAL A 64 5.489 -8.542 4.728 1.00 0.00 C ATOM 995 C VAL A 64 5.006 -9.112 3.393 1.00 0.00 C ATOM 996 O VAL A 64 5.074 -8.439 2.365 1.00 0.00 O ATOM 997 CB VAL A 64 4.522 -7.518 5.325 1.00 0.00 C ATOM 998 CG1 VAL A 64 3.071 -7.966 5.148 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.840 -7.258 6.799 1.00 0.00 C ATOM 0 H VAL A 64 6.803 -7.079 4.004 1.00 0.00 H new ATOM 0 HA VAL A 64 5.542 -9.370 5.435 1.00 0.00 H new ATOM 0 HB VAL A 64 4.651 -6.581 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.405 -7.220 5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.851 -8.076 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.921 -8.922 5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.138 -6.526 7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.753 -8.189 7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.856 -6.873 6.890 1.00 0.00 H new ATOM 1009 N GLY A 65 4.529 -10.347 3.451 1.00 0.00 N ATOM 1010 CA GLY A 65 4.035 -11.014 2.258 1.00 0.00 C ATOM 1011 C GLY A 65 2.664 -11.645 2.512 1.00 0.00 C ATOM 1012 O GLY A 65 2.238 -11.773 3.659 1.00 0.00 O ATOM 0 H GLY A 65 4.474 -10.903 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.964 -10.298 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.742 -11.784 1.948 1.00 0.00 H new ATOM 1016 N THR A 66 2.012 -12.024 1.423 1.00 0.00 N ATOM 1017 CA THR A 66 0.699 -12.639 1.512 1.00 0.00 C ATOM 1018 C THR A 66 0.821 -14.092 1.979 1.00 0.00 C ATOM 1019 O THR A 66 0.294 -14.999 1.337 1.00 0.00 O ATOM 1020 CB THR A 66 0.014 -12.493 0.152 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.023 -11.085 -0.069 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.459 -12.903 0.191 1.00 0.00 C ATOM 0 H THR A 66 2.369 -11.917 0.474 1.00 0.00 H new ATOM 0 HA THR A 66 0.079 -12.142 2.258 1.00 0.00 H new ATOM 0 HB THR A 66 0.540 -13.099 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.954 -10.793 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.897 -12.780 -0.799 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.538 -13.946 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.993 -12.275 0.904 1.00 0.00 H new ATOM 1030 N ASP A 67 1.516 -14.265 3.093 1.00 0.00 N ATOM 1031 CA ASP A 67 1.714 -15.591 3.652 1.00 0.00 C ATOM 1032 C ASP A 67 0.878 -15.732 4.926 1.00 0.00 C ATOM 1033 O ASP A 67 0.082 -16.661 5.052 1.00 0.00 O ATOM 1034 CB ASP A 67 3.180 -15.821 4.021 1.00 0.00 C ATOM 1035 CG ASP A 67 3.920 -14.583 4.531 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.299 -13.592 4.942 1.00 0.00 O ATOM 1037 OD2 ASP A 67 5.208 -14.664 4.496 1.00 0.00 O ATOM 0 H ASP A 67 1.949 -13.509 3.624 1.00 0.00 H new ATOM 0 HA ASP A 67 1.413 -16.322 2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.229 -16.596 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.704 -16.204 3.145 1.00 0.00 H new ATOM 1042 N MET A 68 1.087 -14.794 5.840 1.00 0.00 N ATOM 1043 CA MET A 68 0.364 -14.803 7.099 1.00 0.00 C ATOM 1044 C MET A 68 -1.097 -14.398 6.895 1.00 0.00 C ATOM 1045 O MET A 68 -2.001 -15.010 7.463 1.00 0.00 O ATOM 1046 CB MET A 68 1.030 -13.833 8.077 1.00 0.00 C ATOM 1047 CG MET A 68 1.012 -14.391 9.501 1.00 0.00 C ATOM 1048 SD MET A 68 0.984 -13.052 10.682 1.00 0.00 S ATOM 1049 CE MET A 68 -0.468 -12.178 10.124 1.00 0.00 C ATOM 0 H MET A 68 1.747 -14.024 5.732 1.00 0.00 H new ATOM 0 HA MET A 68 0.388 -15.815 7.503 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.059 -13.649 7.768 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.513 -12.874 8.052 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.138 -15.027 9.640 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.890 -15.015 9.667 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.167 -11.282 9.581 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.050 -12.823 9.466 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.075 -11.894 10.984 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.285 -13.369 6.082 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.621 -12.876 5.795 1.00 0.00 C ATOM 1061 C LEU A 69 -3.480 -14.023 5.258 1.00 0.00 C ATOM 1062 O LEU A 69 -4.645 -14.157 5.628 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.556 -11.667 4.859 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.682 -10.501 5.328 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.012 -9.807 4.143 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.488 -9.523 6.186 1.00 0.00 C ATOM 0 H LEU A 69 -0.534 -12.863 5.613 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.099 -12.520 6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.189 -12.003 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.570 -11.297 4.706 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.887 -10.901 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.397 -8.983 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.384 -10.521 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.776 -9.421 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.844 -8.704 6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.318 -9.125 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.877 -10.043 7.062 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.870 -14.821 4.393 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.564 -15.952 3.802 1.00 0.00 C ATOM 1080 C GLU A 70 -3.985 -16.945 4.889 1.00 0.00 C ATOM 1081 O GLU A 70 -5.165 -17.267 5.016 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.696 -16.635 2.743 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.431 -17.820 2.113 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.443 -18.816 1.503 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.625 -18.435 0.652 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -2.545 -20.025 1.942 1.00 0.00 O ATOM 0 H GLU A 70 -1.904 -14.706 4.088 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.462 -15.583 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.427 -15.916 1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.766 -16.978 3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.037 -18.320 2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.114 -17.461 1.343 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.997 -17.399 5.645 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.249 -18.347 6.717 1.00 0.00 C ATOM 1095 C GLU A 71 -4.250 -17.764 7.716 1.00 0.00 C ATOM 1096 O GLU A 71 -4.793 -18.487 8.551 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.947 -18.747 7.413 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.321 -19.972 6.744 1.00 0.00 C ATOM 1099 CD GLU A 71 0.022 -20.323 7.389 1.00 0.00 C ATOM 1100 OE1 GLU A 71 0.057 -20.762 8.548 1.00 0.00 O ATOM 1101 OE2 GLU A 71 1.054 -20.124 6.641 1.00 0.00 O ATOM 0 H GLU A 71 -2.020 -17.128 5.537 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.682 -19.249 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.245 -17.914 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.143 -18.962 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.000 -20.821 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.178 -19.777 5.681 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.464 -16.461 7.599 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.390 -15.773 8.483 1.00 0.00 C ATOM 1110 C GLN A 72 -6.753 -15.618 7.805 1.00 0.00 C ATOM 1111 O GLN A 72 -7.786 -15.907 8.408 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.832 -14.415 8.910 1.00 0.00 C ATOM 1113 CG GLN A 72 -3.474 -14.571 9.598 1.00 0.00 C ATOM 1114 CD GLN A 72 -3.593 -14.332 11.105 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.554 -13.212 11.587 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -3.740 -15.445 11.819 1.00 0.00 N ATOM 0 H GLN A 72 -4.012 -15.864 6.906 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.520 -16.374 9.383 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.730 -13.770 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.533 -13.927 9.587 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.082 -15.571 9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.762 -13.866 9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.765 -16.351 11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.828 -15.392 12.834 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.712 -15.161 6.563 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.932 -14.963 5.797 1.00 0.00 C ATOM 1127 C ILE A 73 -8.498 -16.324 5.388 1.00 0.00 C ATOM 1128 O ILE A 73 -9.669 -16.611 5.632 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.677 -14.024 4.617 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -7.041 -12.714 5.086 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.961 -13.785 3.820 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.199 -12.083 3.975 1.00 0.00 C ATOM 0 H ILE A 73 -5.853 -14.922 6.067 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.690 -14.472 6.407 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.966 -14.504 3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.820 -12.018 5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.416 -12.902 5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.752 -13.114 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.333 -14.735 3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.713 -13.335 4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.759 -11.153 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.406 -12.771 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.832 -11.874 3.113 1.00 0.00 H new ATOM 1144 N THR A 74 -7.640 -17.127 4.775 1.00 0.00 N ATOM 1145 CA THR A 74 -8.041 -18.451 4.330 1.00 0.00 C ATOM 1146 C THR A 74 -8.164 -19.400 5.524 1.00 0.00 C ATOM 1147 O THR A 74 -8.512 -20.568 5.360 1.00 0.00 O ATOM 1148 CB THR A 74 -7.033 -18.922 3.280 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.888 -19.297 4.042 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.533 -17.779 2.394 1.00 0.00 C ATOM 0 H THR A 74 -6.669 -16.886 4.576 1.00 0.00 H new ATOM 0 HA THR A 74 -9.028 -18.431 3.868 1.00 0.00 H new ATOM 0 HB THR A 74 -7.490 -19.691 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.641 -18.564 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.820 -18.168 1.666 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.376 -17.328 1.871 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.045 -17.026 3.013 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.871 -18.862 6.699 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.944 -19.646 7.920 1.00 0.00 C ATOM 1160 C ALA A 75 -9.404 -20.011 8.200 1.00 0.00 C ATOM 1161 O ALA A 75 -9.680 -20.942 8.954 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.307 -18.863 9.069 1.00 0.00 C ATOM 0 H ALA A 75 -7.583 -17.893 6.831 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.387 -20.577 7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.362 -19.451 9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.263 -18.655 8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.841 -17.923 9.209 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.297 -19.257 7.578 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.721 -19.488 7.752 1.00 0.00 C ATOM 1170 C PHE A 76 -12.305 -20.240 6.554 1.00 0.00 C ATOM 1171 O PHE A 76 -12.737 -19.624 5.581 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.389 -18.115 7.852 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.807 -17.729 9.272 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.495 -18.614 10.043 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.492 -16.500 9.763 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.884 -18.255 11.361 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.880 -16.142 11.081 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.568 -17.026 11.852 1.00 0.00 C ATOM 0 H PHE A 76 -10.063 -18.486 6.953 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.893 -20.090 8.644 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.703 -17.360 7.468 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.269 -18.103 7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.745 -19.589 9.653 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.947 -15.797 9.151 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.430 -18.957 11.973 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.629 -15.167 11.471 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.864 -16.753 12.854 1.00 0.00 H new ATOM 1188 N GLU A 77 -12.298 -21.560 6.663 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.820 -22.402 5.601 1.00 0.00 C ATOM 1190 C GLU A 77 -14.350 -22.408 5.631 1.00 0.00 C ATOM 1191 O GLU A 77 -14.990 -22.999 4.763 1.00 0.00 O ATOM 1192 CB GLU A 77 -12.265 -23.824 5.704 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.273 -24.109 4.575 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.352 -25.571 4.131 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -12.369 -25.864 3.395 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -10.475 -26.375 4.485 1.00 0.00 O ATOM 0 H GLU A 77 -11.939 -22.067 7.472 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.496 -21.989 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.773 -23.957 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.084 -24.542 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.484 -23.456 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.261 -23.881 4.909 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.891 -21.743 6.642 1.00 0.00 N ATOM 1204 CA ASP A 78 -16.334 -21.664 6.797 1.00 0.00 C ATOM 1205 C ASP A 78 -16.834 -20.342 6.210 1.00 0.00 C ATOM 1206 O ASP A 78 -17.969 -19.938 6.458 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.732 -21.704 8.274 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.134 -23.085 8.797 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -16.306 -24.004 8.878 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -18.374 -23.199 9.134 1.00 0.00 O ATOM 0 H ASP A 78 -14.357 -21.255 7.361 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.776 -22.516 6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.897 -21.335 8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -17.563 -21.017 8.430 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.963 -19.705 5.441 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.302 -18.439 4.816 1.00 0.00 C ATOM 1217 C TYR A 79 -15.551 -18.261 3.495 1.00 0.00 C ATOM 1218 O TYR A 79 -16.137 -17.848 2.494 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.852 -17.352 5.795 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.744 -17.220 7.030 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -16.591 -18.093 8.088 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -17.701 -16.227 7.089 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -17.430 -17.969 9.251 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -18.540 -16.103 8.252 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.364 -16.980 9.277 1.00 0.00 C ATOM 1226 OH TYR A 79 -19.156 -16.863 10.375 1.00 0.00 O ATOM 0 H TYR A 79 -15.022 -20.043 5.237 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.369 -18.391 4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.833 -17.566 6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.827 -16.395 5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.842 -18.869 8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.820 -15.543 6.262 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -17.320 -18.646 10.085 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -19.293 -15.331 8.310 1.00 0.00 H new ATOM 0 HH TYR A 79 -19.775 -16.113 10.254 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.266 -18.581 3.534 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.429 -18.462 2.352 1.00 0.00 C ATOM 1238 C VAL A 80 -13.569 -19.727 1.503 1.00 0.00 C ATOM 1239 O VAL A 80 -13.324 -20.832 1.984 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.983 -18.174 2.761 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.042 -18.277 1.559 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.866 -16.805 3.433 1.00 0.00 C ATOM 0 H VAL A 80 -13.784 -18.923 4.365 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.753 -17.621 1.739 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.683 -18.930 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.021 -18.068 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.093 -19.283 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.341 -17.554 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.828 -16.625 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.194 -16.030 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.492 -16.783 4.325 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.964 -19.523 0.255 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.140 -20.633 -0.666 1.00 0.00 C ATOM 1254 C GLN A 81 -12.802 -21.007 -1.308 1.00 0.00 C ATOM 1255 O GLN A 81 -12.500 -22.187 -1.478 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.187 -20.302 -1.731 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.417 -21.494 -2.663 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.705 -21.026 -4.091 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -15.583 -19.860 -4.426 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -16.092 -22.000 -4.911 1.00 0.00 N ATOM 0 H GLN A 81 -14.167 -18.605 -0.140 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.503 -21.493 -0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.125 -20.025 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.860 -19.439 -2.312 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.538 -22.139 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.252 -22.091 -2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.173 -22.956 -4.565 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.307 -21.791 -5.886 1.00 0.00 H new ATOM 1269 N SER A 82 -12.038 -19.980 -1.648 1.00 0.00 N ATOM 1270 CA SER A 82 -10.741 -20.186 -2.268 1.00 0.00 C ATOM 1271 C SER A 82 -10.101 -18.837 -2.605 1.00 0.00 C ATOM 1272 O SER A 82 -10.528 -18.160 -3.539 1.00 0.00 O ATOM 1273 CB SER A 82 -10.862 -21.045 -3.529 1.00 0.00 C ATOM 1274 OG SER A 82 -11.773 -20.483 -4.471 1.00 0.00 O ATOM 0 H SER A 82 -12.292 -19.003 -1.506 1.00 0.00 H new ATOM 0 HA SER A 82 -10.105 -20.716 -1.559 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.881 -21.150 -3.992 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.195 -22.046 -3.255 1.00 0.00 H new ATOM 0 HG SER A 82 -11.660 -19.510 -4.494 1.00 0.00 H new ATOM 1280 N MET A 83 -9.089 -18.488 -1.825 1.00 0.00 N ATOM 1281 CA MET A 83 -8.387 -17.232 -2.029 1.00 0.00 C ATOM 1282 C MET A 83 -7.367 -17.352 -3.162 1.00 0.00 C ATOM 1283 O MET A 83 -6.867 -18.440 -3.441 1.00 0.00 O ATOM 1284 CB MET A 83 -7.670 -16.832 -0.737 1.00 0.00 C ATOM 1285 CG MET A 83 -6.677 -15.696 -0.990 1.00 0.00 C ATOM 1286 SD MET A 83 -5.734 -15.369 0.489 1.00 0.00 S ATOM 1287 CE MET A 83 -4.092 -15.273 -0.204 1.00 0.00 C ATOM 0 H MET A 83 -8.738 -19.052 -1.051 1.00 0.00 H new ATOM 0 HA MET A 83 -9.117 -16.470 -2.301 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.402 -16.521 0.008 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.145 -17.694 -0.327 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.007 -15.963 -1.807 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.211 -14.797 -1.297 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.429 -14.769 0.499 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.719 -16.279 -0.397 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.124 -14.713 -1.138 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.089 -16.216 -3.787 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.138 -16.181 -4.885 1.00 0.00 C ATOM 1299 C ASP A 84 -5.404 -14.838 -4.875 1.00 0.00 C ATOM 1300 O ASP A 84 -5.598 -14.027 -3.970 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.846 -16.321 -6.233 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.162 -17.759 -6.651 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -6.253 -18.570 -6.886 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -8.418 -18.039 -6.733 1.00 0.00 O ATOM 0 H ASP A 84 -7.505 -15.315 -3.554 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.443 -17.011 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.777 -15.756 -6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.224 -15.863 -7.002 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.576 -14.643 -5.891 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.812 -13.413 -6.010 1.00 0.00 C ATOM 1311 C VAL A 85 -4.387 -12.571 -7.151 1.00 0.00 C ATOM 1312 O VAL A 85 -4.816 -13.109 -8.169 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.328 -13.735 -6.193 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -2.067 -14.358 -7.564 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.467 -12.487 -5.985 1.00 0.00 C ATOM 0 H VAL A 85 -4.418 -15.317 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.892 -12.822 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.048 -14.466 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.004 -14.577 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.639 -15.281 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.372 -13.661 -8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.416 -12.743 -6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.751 -11.724 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.620 -12.104 -4.976 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.375 -11.262 -6.940 1.00 0.00 N ATOM 1326 CA ALA A 86 -4.889 -10.339 -7.938 1.00 0.00 C ATOM 1327 C ALA A 86 -3.718 -9.673 -8.662 1.00 0.00 C ATOM 1328 O ALA A 86 -3.846 -9.269 -9.817 1.00 0.00 O ATOM 1329 CB ALA A 86 -5.813 -9.322 -7.265 1.00 0.00 C ATOM 0 H ALA A 86 -4.018 -10.820 -6.093 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.478 -10.871 -8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.199 -8.630 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.644 -9.844 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.255 -8.767 -6.511 1.00 0.00 H new ATOM 1335 N ALA A 87 -2.602 -9.580 -7.954 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.409 -8.969 -8.515 1.00 0.00 C ATOM 1337 C ALA A 87 -0.400 -8.709 -7.394 1.00 0.00 C ATOM 1338 O ALA A 87 -0.694 -8.943 -6.223 1.00 0.00 O ATOM 1339 CB ALA A 87 -1.793 -7.691 -9.263 1.00 0.00 C ATOM 0 H ALA A 87 -2.499 -9.917 -6.997 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.937 -9.638 -9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.898 -7.233 -9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.488 -7.935 -10.067 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.267 -6.994 -8.572 1.00 0.00 H new ATOM 1345 N PHE A 88 0.769 -8.228 -7.795 1.00 0.00 N ATOM 1346 CA PHE A 88 1.823 -7.934 -6.839 1.00 0.00 C ATOM 1347 C PHE A 88 2.773 -6.865 -7.382 1.00 0.00 C ATOM 1348 O PHE A 88 3.677 -7.169 -8.158 1.00 0.00 O ATOM 1349 CB PHE A 88 2.605 -9.231 -6.621 1.00 0.00 C ATOM 1350 CG PHE A 88 2.613 -9.717 -5.171 1.00 0.00 C ATOM 1351 CD1 PHE A 88 1.516 -10.332 -4.654 1.00 0.00 C ATOM 1352 CD2 PHE A 88 3.718 -9.534 -4.399 1.00 0.00 C ATOM 1353 CE1 PHE A 88 1.524 -10.783 -3.307 1.00 0.00 C ATOM 1354 CE2 PHE A 88 3.725 -9.985 -3.052 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.629 -10.601 -2.535 1.00 0.00 C ATOM 0 H PHE A 88 1.008 -8.035 -8.768 1.00 0.00 H new ATOM 0 HA PHE A 88 1.390 -7.560 -5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.179 -10.011 -7.252 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.634 -9.082 -6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.639 -10.478 -5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.589 -9.046 -4.810 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.652 -11.271 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.602 -9.838 -2.438 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.636 -10.946 -1.512 1.00 0.00 H new ATOM 1365 N ASN A 89 2.534 -5.634 -6.953 1.00 0.00 N ATOM 1366 CA ASN A 89 3.358 -4.518 -7.388 1.00 0.00 C ATOM 1367 C ASN A 89 3.528 -3.534 -6.229 1.00 0.00 C ATOM 1368 O ASN A 89 3.070 -3.795 -5.116 1.00 0.00 O ATOM 1369 CB ASN A 89 2.702 -3.770 -8.550 1.00 0.00 C ATOM 1370 CG ASN A 89 2.902 -4.521 -9.868 1.00 0.00 C ATOM 1371 OD1 ASN A 89 4.013 -4.789 -10.297 1.00 0.00 O ATOM 1372 ND2 ASN A 89 1.769 -4.845 -10.483 1.00 0.00 N ATOM 0 H ASN A 89 1.783 -5.385 -6.310 1.00 0.00 H new ATOM 0 HA ASN A 89 4.320 -4.915 -7.711 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.637 -3.649 -8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.127 -2.769 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.796 -5.349 -11.370 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.873 -4.590 -10.068 1.00 0.00 H new ATOM 1379 N LYS A 90 4.187 -2.425 -6.527 1.00 0.00 N ATOM 1380 CA LYS A 90 4.424 -1.400 -5.524 1.00 0.00 C ATOM 1381 C LYS A 90 3.123 -0.640 -5.262 1.00 0.00 C ATOM 1382 O LYS A 90 2.163 -0.703 -6.028 1.00 0.00 O ATOM 1383 CB LYS A 90 5.589 -0.502 -5.940 1.00 0.00 C ATOM 1384 CG LYS A 90 5.920 0.511 -4.843 1.00 0.00 C ATOM 1385 CD LYS A 90 7.387 0.940 -4.915 1.00 0.00 C ATOM 1386 CE LYS A 90 7.574 2.353 -4.356 1.00 0.00 C ATOM 1387 NZ LYS A 90 8.095 3.260 -5.404 1.00 0.00 N ATOM 0 H LYS A 90 4.565 -2.213 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 90 4.725 -1.853 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.466 -1.113 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.337 0.024 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.277 1.385 -4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.713 0.075 -3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.003 0.238 -4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.729 0.906 -5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.623 2.730 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.264 2.328 -3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.216 4.214 -5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.012 2.907 -5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.423 3.297 -6.197 1.00 0.00 H new ATOM 1401 N ILE A 91 3.112 0.094 -4.147 1.00 0.00 N ATOM 1402 CA ILE A 91 1.958 0.877 -3.753 1.00 0.00 C ATOM 1403 C ILE A 91 2.241 2.356 -3.970 1.00 0.00 C ATOM 1404 O ILE A 91 3.288 2.855 -3.564 1.00 0.00 O ATOM 1405 CB ILE A 91 1.628 0.596 -2.290 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.558 1.575 -1.813 1.00 0.00 C ATOM 1407 CG2 ILE A 91 2.886 0.765 -1.444 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.733 0.815 -1.523 1.00 0.00 C ATOM 1409 OXT ILE A 91 1.424 3.067 -4.556 1.00 0.00 O ATOM 0 H ILE A 91 3.900 0.157 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 91 1.099 0.599 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 91 1.257 -0.424 -2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.897 2.093 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.382 2.336 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.651 0.564 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.650 0.066 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.257 1.785 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.498 1.513 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.074 0.318 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.551 0.070 -0.748 1.00 0.00 H new TER 1421 ILE A 91