USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 749 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 113 MET CE :methyl 169:sc= 0 (180deg=0) USER MOD Set 1.2: A 114 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.2!) USER MOD Set 1.3: A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 77 GLN : amide:sc= 0.98 K(o=2.6,f=1.1) USER MOD Set 2.2: A 88 ASN : amide:sc= 1.59 K(o=2.6,f=1.1) USER MOD Set 3.1: A 34 GLN : amide:sc= 0.943 K(o=2.4,f=-1.7) USER MOD Set 3.2: A 39 GLN : amide:sc= 1.42 K(o=2.4,f=-1.7!) USER MOD Set 4.1: A 35 LYS NZ :NH3+ 131:sc= 1.18 (180deg=0) USER MOD Set 4.2: A 38 TYR OH : rot 30:sc= 1.05 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.688 K(o=-0.69,f=-5.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.28) USER MOD Single : A 36 ASN : amide:sc= -0.178 K(o=-0.18,f=-2.4!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 107:sc= -0.283 USER MOD Single : A 50 THR OG1 : rot 76:sc= -0.353! USER MOD Single : A 57 LYS NZ :NH3+ -127:sc= 1.24 (180deg=-0.0419) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -47:sc= 1.02 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 1.26 (180deg=0.867) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc=-0.00924 USER MOD Single : A 86 HIS : no HE2:sc= 0.851 K(o=0.85,f=-3.1!) USER MOD Single : A 91 MET CE :methyl -145:sc= 0 (180deg=-0.496) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot -35:sc= 0.696 USER MOD Single : A 111 CYS SG : rot 170:sc= -1.27 USER MOD Single : A 116 MET CE :methyl -154:sc= -0.566 (180deg=-2.12!) USER MOD Single : A 117 HIS : no HE2:sc= 1.29 K(o=1.3,f=-4.4!) USER MOD Single : A 119 LYS NZ :NH3+ 132:sc= 1.24 (180deg=-0.276) USER MOD Single : A 120 MET CE :methyl -151:sc= -0.0392 (180deg=-1.42) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 9.922 19.264 0.848 1.00 0.00 N ATOM 2 CA GLY A 26 10.862 18.100 0.831 1.00 0.00 C ATOM 3 C GLY A 26 10.286 16.883 1.535 1.00 0.00 C ATOM 4 O GLY A 26 10.873 15.798 1.520 1.00 0.00 O ATOM 0 HA2 GLY A 26 11.098 17.842 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.798 18.385 1.311 1.00 0.00 H new ATOM 7 N ALA A 27 9.126 17.074 2.150 1.00 0.00 N ATOM 8 CA ALA A 27 8.444 16.000 2.871 1.00 0.00 C ATOM 9 C ALA A 27 7.040 15.760 2.311 1.00 0.00 C ATOM 10 O ALA A 27 6.158 15.251 3.006 1.00 0.00 O ATOM 11 CB ALA A 27 8.379 16.323 4.356 1.00 0.00 C ATOM 0 H ALA A 27 8.633 17.967 2.165 1.00 0.00 H new ATOM 0 HA ALA A 27 9.017 15.083 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.869 15.516 4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.390 16.431 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.832 17.254 4.502 1.00 0.00 H new ATOM 17 N MET A 28 6.838 16.124 1.047 1.00 0.00 N ATOM 18 CA MET A 28 5.541 15.952 0.395 1.00 0.00 C ATOM 19 C MET A 28 5.374 14.531 -0.154 1.00 0.00 C ATOM 20 O MET A 28 5.415 14.309 -1.365 1.00 0.00 O ATOM 21 CB MET A 28 5.372 16.975 -0.730 1.00 0.00 C ATOM 22 CG MET A 28 4.181 17.900 -0.538 1.00 0.00 C ATOM 23 SD MET A 28 2.602 17.054 -0.745 1.00 0.00 S ATOM 24 CE MET A 28 1.880 17.274 0.880 1.00 0.00 C ATOM 0 H MET A 28 7.556 16.540 0.453 1.00 0.00 H new ATOM 0 HA MET A 28 4.767 16.115 1.145 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.279 17.575 -0.803 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.262 16.446 -1.677 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.225 18.340 0.458 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.245 18.721 -1.252 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.897 16.803 0.908 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.524 16.815 1.630 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.778 18.338 1.092 1.00 0.00 H new ATOM 34 N GLY A 29 5.189 13.573 0.748 1.00 0.00 N ATOM 35 CA GLY A 29 5.013 12.188 0.346 1.00 0.00 C ATOM 36 C GLY A 29 6.101 11.275 0.882 1.00 0.00 C ATOM 37 O GLY A 29 7.128 11.738 1.381 1.00 0.00 O ATOM 0 H GLY A 29 5.158 13.731 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.043 11.834 0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.000 12.130 -0.742 1.00 0.00 H new ATOM 41 N GLN A 30 5.873 9.972 0.780 1.00 0.00 N ATOM 42 CA GLN A 30 6.828 8.982 1.263 1.00 0.00 C ATOM 43 C GLN A 30 7.356 8.121 0.116 1.00 0.00 C ATOM 44 O GLN A 30 6.589 7.491 -0.614 1.00 0.00 O ATOM 45 CB GLN A 30 6.171 8.096 2.328 1.00 0.00 C ATOM 46 CG GLN A 30 6.090 8.751 3.704 1.00 0.00 C ATOM 47 CD GLN A 30 4.878 9.657 3.867 1.00 0.00 C ATOM 48 OE1 GLN A 30 3.979 9.679 3.027 1.00 0.00 O ATOM 49 NE2 GLN A 30 4.843 10.411 4.953 1.00 0.00 N ATOM 0 H GLN A 30 5.030 9.574 0.365 1.00 0.00 H new ATOM 0 HA GLN A 30 7.672 9.511 1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.165 7.834 2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.732 7.165 2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.060 7.974 4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.996 9.332 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.606 10.368 5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.053 11.036 5.115 1.00 0.00 H new ATOM 58 N LYS A 31 8.673 8.096 -0.037 1.00 0.00 N ATOM 59 CA LYS A 31 9.308 7.318 -1.095 1.00 0.00 C ATOM 60 C LYS A 31 9.614 5.901 -0.620 1.00 0.00 C ATOM 61 O LYS A 31 10.237 5.704 0.425 1.00 0.00 O ATOM 62 CB LYS A 31 10.595 8.005 -1.558 1.00 0.00 C ATOM 63 CG LYS A 31 10.883 7.829 -3.040 1.00 0.00 C ATOM 64 CD LYS A 31 11.973 8.777 -3.513 1.00 0.00 C ATOM 65 CE LYS A 31 11.404 9.901 -4.364 1.00 0.00 C ATOM 66 NZ LYS A 31 12.461 10.852 -4.809 1.00 0.00 N ATOM 0 H LYS A 31 9.325 8.606 0.559 1.00 0.00 H new ATOM 0 HA LYS A 31 8.615 7.257 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.529 9.070 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.434 7.610 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.186 6.800 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.972 8.006 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.490 9.198 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.714 8.223 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.905 9.479 -5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.647 10.440 -3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.032 11.603 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.920 11.275 -3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.170 10.343 -5.375 1.00 0.00 H new ATOM 80 N ALA A 32 9.164 4.916 -1.389 1.00 0.00 N ATOM 81 CA ALA A 32 9.393 3.514 -1.052 1.00 0.00 C ATOM 82 C ALA A 32 10.851 3.122 -1.294 1.00 0.00 C ATOM 83 O ALA A 32 11.547 3.741 -2.103 1.00 0.00 O ATOM 84 CB ALA A 32 8.463 2.625 -1.859 1.00 0.00 C ATOM 0 H ALA A 32 8.638 5.062 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 32 9.181 3.377 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.642 1.581 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.428 2.882 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.651 2.772 -2.923 1.00 0.00 H new ATOM 90 N GLN A 33 11.311 2.087 -0.599 1.00 0.00 N ATOM 91 CA GLN A 33 12.691 1.632 -0.749 1.00 0.00 C ATOM 92 C GLN A 33 12.859 0.777 -2.005 1.00 0.00 C ATOM 93 O GLN A 33 12.061 -0.123 -2.279 1.00 0.00 O ATOM 94 CB GLN A 33 13.148 0.865 0.499 1.00 0.00 C ATOM 95 CG GLN A 33 12.441 -0.463 0.717 1.00 0.00 C ATOM 96 CD GLN A 33 12.508 -0.934 2.158 1.00 0.00 C ATOM 97 OE1 GLN A 33 12.218 -0.183 3.083 1.00 0.00 O ATOM 98 NE2 GLN A 33 12.896 -2.182 2.357 1.00 0.00 N ATOM 0 H GLN A 33 10.756 1.551 0.068 1.00 0.00 H new ATOM 0 HA GLN A 33 13.324 2.513 -0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.220 0.684 0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.990 1.494 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.397 -0.367 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.889 -1.218 0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.129 -2.777 1.562 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.962 -2.550 3.306 1.00 0.00 H new ATOM 107 N GLN A 34 13.897 1.078 -2.775 1.00 0.00 N ATOM 108 CA GLN A 34 14.179 0.344 -4.005 1.00 0.00 C ATOM 109 C GLN A 34 15.149 -0.806 -3.741 1.00 0.00 C ATOM 110 O GLN A 34 16.330 -0.589 -3.474 1.00 0.00 O ATOM 111 CB GLN A 34 14.756 1.286 -5.067 1.00 0.00 C ATOM 112 CG GLN A 34 13.919 2.534 -5.301 1.00 0.00 C ATOM 113 CD GLN A 34 14.100 3.106 -6.694 1.00 0.00 C ATOM 114 OE1 GLN A 34 13.571 2.578 -7.670 1.00 0.00 O ATOM 115 NE2 GLN A 34 14.847 4.193 -6.798 1.00 0.00 N ATOM 0 H GLN A 34 14.559 1.826 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 34 13.242 -0.073 -4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.760 1.585 -4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.852 0.743 -6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.867 2.296 -5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.188 3.291 -4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.270 4.603 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.000 4.621 -7.711 1.00 0.00 H new ATOM 124 N LYS A 35 14.637 -2.029 -3.808 1.00 0.00 N ATOM 125 CA LYS A 35 15.452 -3.220 -3.580 1.00 0.00 C ATOM 126 C LYS A 35 16.054 -3.744 -4.890 1.00 0.00 C ATOM 127 O LYS A 35 16.190 -3.003 -5.866 1.00 0.00 O ATOM 128 CB LYS A 35 14.616 -4.314 -2.908 1.00 0.00 C ATOM 129 CG LYS A 35 13.745 -3.807 -1.767 1.00 0.00 C ATOM 130 CD LYS A 35 14.411 -4.029 -0.416 1.00 0.00 C ATOM 131 CE LYS A 35 13.675 -5.073 0.408 1.00 0.00 C ATOM 132 NZ LYS A 35 14.373 -6.389 0.394 1.00 0.00 N ATOM 0 H LYS A 35 13.658 -2.224 -4.019 1.00 0.00 H new ATOM 0 HA LYS A 35 16.274 -2.942 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.979 -4.784 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.284 -5.087 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.545 -2.744 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.782 -4.318 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.443 -4.345 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.443 -3.088 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.581 -4.723 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.664 -5.195 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.465 -6.743 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.823 -7.068 -0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.318 -6.276 -0.024 1.00 0.00 H new ATOM 146 N ASN A 36 16.402 -5.028 -4.911 1.00 0.00 N ATOM 147 CA ASN A 36 17.003 -5.642 -6.097 1.00 0.00 C ATOM 148 C ASN A 36 15.948 -6.075 -7.122 1.00 0.00 C ATOM 149 O ASN A 36 15.580 -7.248 -7.194 1.00 0.00 O ATOM 150 CB ASN A 36 17.854 -6.847 -5.685 1.00 0.00 C ATOM 151 CG ASN A 36 19.190 -6.884 -6.403 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.469 -6.057 -7.266 1.00 0.00 O ATOM 153 ND2 ASN A 36 20.025 -7.848 -6.051 1.00 0.00 N ATOM 0 H ASN A 36 16.279 -5.664 -4.123 1.00 0.00 H new ATOM 0 HA ASN A 36 17.632 -4.889 -6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 36 18.024 -6.818 -4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.306 -7.765 -5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.937 -7.922 -6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.757 -8.517 -5.329 1.00 0.00 H new ATOM 160 N GLY A 37 15.461 -5.118 -7.910 1.00 0.00 N ATOM 161 CA GLY A 37 14.473 -5.426 -8.937 1.00 0.00 C ATOM 162 C GLY A 37 13.032 -5.186 -8.508 1.00 0.00 C ATOM 163 O GLY A 37 12.121 -5.280 -9.328 1.00 0.00 O ATOM 0 H GLY A 37 15.731 -4.136 -7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.683 -4.822 -9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.584 -6.470 -9.231 1.00 0.00 H new ATOM 167 N TYR A 38 12.822 -4.875 -7.235 1.00 0.00 N ATOM 168 CA TYR A 38 11.475 -4.631 -6.715 1.00 0.00 C ATOM 169 C TYR A 38 11.486 -3.527 -5.654 1.00 0.00 C ATOM 170 O TYR A 38 12.542 -3.150 -5.156 1.00 0.00 O ATOM 171 CB TYR A 38 10.880 -5.926 -6.143 1.00 0.00 C ATOM 172 CG TYR A 38 11.614 -6.487 -4.940 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.827 -7.149 -5.083 1.00 0.00 C ATOM 174 CD2 TYR A 38 11.088 -6.360 -3.660 1.00 0.00 C ATOM 175 CE1 TYR A 38 13.493 -7.669 -3.990 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.746 -6.879 -2.560 1.00 0.00 C ATOM 177 CZ TYR A 38 12.949 -7.532 -2.731 1.00 0.00 C ATOM 178 OH TYR A 38 13.608 -8.049 -1.638 1.00 0.00 O ATOM 0 H TYR A 38 13.564 -4.785 -6.541 1.00 0.00 H new ATOM 0 HA TYR A 38 10.848 -4.295 -7.541 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.843 -5.740 -5.864 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.868 -6.682 -6.928 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.258 -7.259 -6.067 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.148 -5.847 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 38 14.435 -8.180 -4.121 1.00 0.00 H new ATOM 0 HE2 TYR A 38 11.321 -6.774 -1.573 1.00 0.00 H new ATOM 0 HH TYR A 38 14.574 -8.037 -1.803 1.00 0.00 H new ATOM 188 N GLN A 39 10.308 -3.006 -5.320 1.00 0.00 N ATOM 189 CA GLN A 39 10.204 -1.946 -4.314 1.00 0.00 C ATOM 190 C GLN A 39 9.336 -2.384 -3.139 1.00 0.00 C ATOM 191 O GLN A 39 8.464 -3.242 -3.282 1.00 0.00 O ATOM 192 CB GLN A 39 9.634 -0.658 -4.916 1.00 0.00 C ATOM 193 CG GLN A 39 9.747 -0.572 -6.427 1.00 0.00 C ATOM 194 CD GLN A 39 10.472 0.676 -6.886 1.00 0.00 C ATOM 195 OE1 GLN A 39 9.912 1.769 -6.884 1.00 0.00 O ATOM 196 NE2 GLN A 39 11.722 0.521 -7.286 1.00 0.00 N ATOM 0 H GLN A 39 9.418 -3.295 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 39 11.214 -1.749 -3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.584 -0.574 -4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.151 0.195 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.273 -1.451 -6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.749 -0.589 -6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.151 -0.404 -7.272 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.258 1.327 -7.608 1.00 0.00 H new ATOM 205 N GLU A 40 9.570 -1.774 -1.984 1.00 0.00 N ATOM 206 CA GLU A 40 8.817 -2.106 -0.778 1.00 0.00 C ATOM 207 C GLU A 40 8.590 -0.869 0.099 1.00 0.00 C ATOM 208 O GLU A 40 9.451 0.004 0.196 1.00 0.00 O ATOM 209 CB GLU A 40 9.569 -3.178 0.019 1.00 0.00 C ATOM 210 CG GLU A 40 8.748 -3.817 1.129 1.00 0.00 C ATOM 211 CD GLU A 40 9.524 -3.956 2.426 1.00 0.00 C ATOM 212 OE1 GLU A 40 9.477 -3.016 3.247 1.00 0.00 O ATOM 213 OE2 GLU A 40 10.174 -5.003 2.620 1.00 0.00 O ATOM 0 H GLU A 40 10.274 -1.047 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 40 7.841 -2.487 -1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.903 -3.957 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.463 -2.732 0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.856 -3.217 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.411 -4.802 0.805 1.00 0.00 H new ATOM 220 N ILE A 41 7.420 -0.795 0.722 1.00 0.00 N ATOM 221 CA ILE A 41 7.090 0.324 1.609 1.00 0.00 C ATOM 222 C ILE A 41 6.236 -0.152 2.786 1.00 0.00 C ATOM 223 O ILE A 41 5.234 -0.845 2.602 1.00 0.00 O ATOM 224 CB ILE A 41 6.357 1.474 0.863 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.779 2.486 1.859 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.253 0.930 -0.027 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.381 3.872 1.747 1.00 0.00 C ATOM 0 H ILE A 41 6.682 -1.493 0.632 1.00 0.00 H new ATOM 0 HA ILE A 41 8.036 0.718 1.981 1.00 0.00 H new ATOM 0 HB ILE A 41 7.089 1.981 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.702 2.555 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.935 2.114 2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.757 1.756 -0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.682 0.253 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.527 0.391 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.920 4.529 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.454 3.818 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.202 4.267 0.747 1.00 0.00 H new ATOM 239 N ARG A 42 6.651 0.206 3.998 1.00 0.00 N ATOM 240 CA ARG A 42 5.917 -0.179 5.197 1.00 0.00 C ATOM 241 C ARG A 42 4.879 0.876 5.569 1.00 0.00 C ATOM 242 O ARG A 42 5.215 1.989 5.978 1.00 0.00 O ATOM 243 CB ARG A 42 6.877 -0.412 6.364 1.00 0.00 C ATOM 244 CG ARG A 42 6.566 -1.673 7.152 1.00 0.00 C ATOM 245 CD ARG A 42 7.453 -1.796 8.380 1.00 0.00 C ATOM 246 NE ARG A 42 6.754 -1.397 9.602 1.00 0.00 N ATOM 247 CZ ARG A 42 6.534 -2.205 10.628 1.00 0.00 C ATOM 248 NH1 ARG A 42 6.944 -3.450 10.601 1.00 0.00 N ATOM 249 NH2 ARG A 42 5.896 -1.763 11.685 1.00 0.00 N ATOM 0 H ARG A 42 7.489 0.760 4.174 1.00 0.00 H new ATOM 0 HA ARG A 42 5.393 -1.111 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.896 -0.472 5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.839 0.446 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.520 -1.664 7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.704 -2.546 6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.796 -2.826 8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.340 -1.176 8.250 1.00 0.00 H new ATOM 0 HE ARG A 42 6.415 -0.437 9.668 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.439 -3.806 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.768 -4.062 11.398 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.569 -0.797 11.717 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.726 -2.385 12.475 1.00 0.00 H new ATOM 263 N VAL A 43 3.615 0.512 5.424 1.00 0.00 N ATOM 264 CA VAL A 43 2.507 1.403 5.733 1.00 0.00 C ATOM 265 C VAL A 43 1.922 1.076 7.106 1.00 0.00 C ATOM 266 O VAL A 43 1.197 0.093 7.273 1.00 0.00 O ATOM 267 CB VAL A 43 1.403 1.311 4.652 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.290 2.312 4.910 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.002 1.538 3.275 1.00 0.00 C ATOM 0 H VAL A 43 3.328 -0.408 5.089 1.00 0.00 H new ATOM 0 HA VAL A 43 2.892 2.423 5.747 1.00 0.00 H new ATOM 0 HB VAL A 43 0.971 0.311 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.469 2.221 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.161 2.112 5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.700 3.322 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.217 1.471 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.460 2.526 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.760 0.779 3.078 1.00 0.00 H new ATOM 279 N GLU A 44 2.266 1.900 8.092 1.00 0.00 N ATOM 280 CA GLU A 44 1.778 1.709 9.456 1.00 0.00 C ATOM 281 C GLU A 44 0.298 2.076 9.554 1.00 0.00 C ATOM 282 O GLU A 44 -0.080 3.241 9.401 1.00 0.00 O ATOM 283 CB GLU A 44 2.605 2.540 10.441 1.00 0.00 C ATOM 284 CG GLU A 44 2.639 1.970 11.852 1.00 0.00 C ATOM 285 CD GLU A 44 4.048 1.668 12.329 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.658 0.703 11.817 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.544 2.397 13.214 1.00 0.00 O ATOM 0 H GLU A 44 2.880 2.706 7.973 1.00 0.00 H new ATOM 0 HA GLU A 44 1.887 0.656 9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.626 2.619 10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.200 3.551 10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.172 2.678 12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.045 1.056 11.885 1.00 0.00 H new ATOM 294 N VAL A 45 -0.528 1.070 9.815 1.00 0.00 N ATOM 295 CA VAL A 45 -1.970 1.250 9.916 1.00 0.00 C ATOM 296 C VAL A 45 -2.405 1.461 11.370 1.00 0.00 C ATOM 297 O VAL A 45 -2.559 0.509 12.142 1.00 0.00 O ATOM 298 CB VAL A 45 -2.707 0.033 9.302 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.184 0.030 9.652 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.526 0.012 7.792 1.00 0.00 C ATOM 0 H VAL A 45 -0.218 0.110 9.962 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.237 2.145 9.355 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.265 -0.867 9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.663 -0.840 9.202 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.301 -0.011 10.735 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.650 0.939 9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.049 -0.848 7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.934 0.928 7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.465 -0.058 7.554 1.00 0.00 H new ATOM 310 N MET A 46 -2.579 2.723 11.742 1.00 0.00 N ATOM 311 CA MET A 46 -3.007 3.080 13.095 1.00 0.00 C ATOM 312 C MET A 46 -3.982 4.259 13.056 1.00 0.00 C ATOM 313 O MET A 46 -3.591 5.415 13.202 1.00 0.00 O ATOM 314 CB MET A 46 -1.801 3.412 13.981 1.00 0.00 C ATOM 315 CG MET A 46 -0.706 4.190 13.268 1.00 0.00 C ATOM 316 SD MET A 46 0.859 4.165 14.163 1.00 0.00 S ATOM 317 CE MET A 46 0.588 5.474 15.354 1.00 0.00 C ATOM 0 H MET A 46 -2.430 3.522 11.125 1.00 0.00 H new ATOM 0 HA MET A 46 -3.519 2.220 13.526 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.142 3.989 14.840 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.380 2.484 14.367 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.558 3.771 12.273 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.027 5.223 13.135 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.471 5.581 15.984 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.401 6.411 14.829 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.273 5.228 15.975 1.00 0.00 H new ATOM 327 N GLY A 47 -5.260 3.951 12.854 1.00 0.00 N ATOM 328 CA GLY A 47 -6.276 4.990 12.767 1.00 0.00 C ATOM 329 C GLY A 47 -6.343 5.589 11.371 1.00 0.00 C ATOM 330 O GLY A 47 -7.127 6.498 11.102 1.00 0.00 O ATOM 0 H GLY A 47 -5.612 3.000 12.749 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.248 4.573 13.032 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.058 5.775 13.491 1.00 0.00 H new ATOM 334 N GLY A 48 -5.507 5.054 10.490 1.00 0.00 N ATOM 335 CA GLY A 48 -5.437 5.510 9.118 1.00 0.00 C ATOM 336 C GLY A 48 -4.132 5.087 8.470 1.00 0.00 C ATOM 337 O GLY A 48 -3.410 4.248 9.012 1.00 0.00 O ATOM 0 H GLY A 48 -4.863 4.295 10.711 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.276 5.104 8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.527 6.596 9.087 1.00 0.00 H new ATOM 341 N TYR A 49 -3.824 5.659 7.316 1.00 0.00 N ATOM 342 CA TYR A 49 -2.587 5.332 6.612 1.00 0.00 C ATOM 343 C TYR A 49 -1.483 6.320 6.986 1.00 0.00 C ATOM 344 O TYR A 49 -1.654 7.530 6.835 1.00 0.00 O ATOM 345 CB TYR A 49 -2.812 5.346 5.096 1.00 0.00 C ATOM 346 CG TYR A 49 -3.970 4.482 4.639 1.00 0.00 C ATOM 347 CD1 TYR A 49 -4.053 3.142 5.002 1.00 0.00 C ATOM 348 CD2 TYR A 49 -4.982 5.009 3.847 1.00 0.00 C ATOM 349 CE1 TYR A 49 -5.112 2.356 4.586 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.043 4.230 3.429 1.00 0.00 C ATOM 351 CZ TYR A 49 -6.104 2.905 3.801 1.00 0.00 C ATOM 352 OH TYR A 49 -7.163 2.127 3.390 1.00 0.00 O ATOM 0 H TYR A 49 -4.409 6.350 6.846 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.278 4.330 6.911 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.988 6.372 4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.902 5.008 4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.279 2.709 5.618 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.938 6.047 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.162 1.317 4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.821 4.657 2.814 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.968 2.382 3.887 1.00 0.00 H new ATOM 362 N THR A 50 -0.355 5.806 7.483 1.00 0.00 N ATOM 363 CA THR A 50 0.764 6.670 7.873 1.00 0.00 C ATOM 364 C THR A 50 1.334 7.419 6.657 1.00 0.00 C ATOM 365 O THR A 50 1.306 8.651 6.633 1.00 0.00 O ATOM 366 CB THR A 50 1.874 5.885 8.612 1.00 0.00 C ATOM 367 OG1 THR A 50 1.392 5.457 9.891 1.00 0.00 O ATOM 368 CG2 THR A 50 3.124 6.738 8.800 1.00 0.00 C ATOM 0 H THR A 50 -0.192 4.809 7.624 1.00 0.00 H new ATOM 0 HA THR A 50 0.371 7.407 8.573 1.00 0.00 H new ATOM 0 HB THR A 50 2.138 5.019 8.005 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.793 4.690 9.775 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.885 6.158 9.322 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.506 7.044 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.876 7.623 9.387 1.00 0.00 H new ATOM 376 N PRO A 51 1.876 6.716 5.632 1.00 0.00 N ATOM 377 CA PRO A 51 2.376 7.387 4.435 1.00 0.00 C ATOM 378 C PRO A 51 1.223 7.849 3.545 1.00 0.00 C ATOM 379 O PRO A 51 0.650 7.061 2.792 1.00 0.00 O ATOM 380 CB PRO A 51 3.209 6.313 3.738 1.00 0.00 C ATOM 381 CG PRO A 51 2.599 5.026 4.167 1.00 0.00 C ATOM 382 CD PRO A 51 2.082 5.252 5.563 1.00 0.00 C ATOM 0 HA PRO A 51 2.951 8.284 4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.175 6.426 2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.257 6.372 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.792 4.735 3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.334 4.222 4.149 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.153 4.709 5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.796 4.913 6.314 1.00 0.00 H new ATOM 390 N GLU A 52 0.879 9.131 3.659 1.00 0.00 N ATOM 391 CA GLU A 52 -0.220 9.723 2.889 1.00 0.00 C ATOM 392 C GLU A 52 -0.096 9.441 1.387 1.00 0.00 C ATOM 393 O GLU A 52 -1.076 9.077 0.733 1.00 0.00 O ATOM 394 CB GLU A 52 -0.285 11.237 3.133 1.00 0.00 C ATOM 395 CG GLU A 52 1.061 11.941 3.022 1.00 0.00 C ATOM 396 CD GLU A 52 1.503 12.579 4.328 1.00 0.00 C ATOM 397 OE1 GLU A 52 0.928 13.621 4.706 1.00 0.00 O ATOM 398 OE2 GLU A 52 2.427 12.032 4.969 1.00 0.00 O ATOM 0 H GLU A 52 1.349 9.787 4.283 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.142 9.256 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.976 11.681 2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.697 11.417 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.816 11.223 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.002 12.708 2.250 1.00 0.00 H new ATOM 405 N LEU A 53 1.107 9.613 0.846 1.00 0.00 N ATOM 406 CA LEU A 53 1.350 9.370 -0.571 1.00 0.00 C ATOM 407 C LEU A 53 2.614 8.537 -0.762 1.00 0.00 C ATOM 408 O LEU A 53 3.705 8.964 -0.395 1.00 0.00 O ATOM 409 CB LEU A 53 1.472 10.692 -1.347 1.00 0.00 C ATOM 410 CG LEU A 53 1.139 11.968 -0.573 1.00 0.00 C ATOM 411 CD1 LEU A 53 1.946 13.139 -1.108 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.351 12.275 -0.657 1.00 0.00 C ATOM 0 H LEU A 53 1.928 9.920 1.368 1.00 0.00 H new ATOM 0 HA LEU A 53 0.497 8.817 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.492 10.776 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.817 10.639 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 53 1.401 11.810 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.697 14.039 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.010 12.927 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.711 13.292 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.567 13.187 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.636 12.411 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.918 11.447 -0.231 1.00 0.00 H new ATOM 424 N ILE A 54 2.464 7.350 -1.342 1.00 0.00 N ATOM 425 CA ILE A 54 3.607 6.467 -1.570 1.00 0.00 C ATOM 426 C ILE A 54 4.142 6.609 -2.995 1.00 0.00 C ATOM 427 O ILE A 54 3.398 6.485 -3.971 1.00 0.00 O ATOM 428 CB ILE A 54 3.264 4.982 -1.297 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.919 4.602 -1.920 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.259 4.704 0.199 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.482 3.185 -1.608 1.00 0.00 C ATOM 0 H ILE A 54 1.570 6.978 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 54 4.377 6.776 -0.863 1.00 0.00 H new ATOM 0 HB ILE A 54 4.034 4.367 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.156 5.295 -1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.982 4.724 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.016 3.656 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.243 4.922 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.514 5.335 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.521 2.988 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.225 2.483 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.386 3.063 -0.529 1.00 0.00 H new ATOM 443 N VAL A 55 5.437 6.879 -3.108 1.00 0.00 N ATOM 444 CA VAL A 55 6.074 7.041 -4.414 1.00 0.00 C ATOM 445 C VAL A 55 6.798 5.765 -4.844 1.00 0.00 C ATOM 446 O VAL A 55 7.640 5.236 -4.114 1.00 0.00 O ATOM 447 CB VAL A 55 7.070 8.223 -4.408 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.753 8.372 -5.761 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.365 9.515 -4.021 1.00 0.00 C ATOM 0 H VAL A 55 6.068 6.991 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 55 5.280 7.251 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 55 7.838 8.011 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.448 9.211 -5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.299 7.458 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.002 8.554 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.083 10.336 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.572 9.726 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.935 9.411 -3.025 1.00 0.00 H new ATOM 459 N LEU A 56 6.456 5.279 -6.037 1.00 0.00 N ATOM 460 CA LEU A 56 7.056 4.059 -6.581 1.00 0.00 C ATOM 461 C LEU A 56 7.418 4.227 -8.061 1.00 0.00 C ATOM 462 O LEU A 56 6.989 5.179 -8.714 1.00 0.00 O ATOM 463 CB LEU A 56 6.085 2.883 -6.417 1.00 0.00 C ATOM 464 CG LEU A 56 5.691 2.560 -4.973 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.203 2.265 -4.879 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.498 1.385 -4.450 1.00 0.00 C ATOM 0 H LEU A 56 5.764 5.713 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 56 7.973 3.859 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.180 3.098 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.536 1.996 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 56 5.910 3.431 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.942 2.038 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.638 3.135 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.961 1.410 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.204 1.170 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.311 0.509 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.560 1.631 -4.480 1.00 0.00 H new ATOM 478 N LYS A 57 8.219 3.300 -8.584 1.00 0.00 N ATOM 479 CA LYS A 57 8.627 3.341 -9.990 1.00 0.00 C ATOM 480 C LYS A 57 7.591 2.656 -10.890 1.00 0.00 C ATOM 481 O LYS A 57 6.599 2.111 -10.405 1.00 0.00 O ATOM 482 CB LYS A 57 9.995 2.675 -10.166 1.00 0.00 C ATOM 483 CG LYS A 57 11.115 3.653 -10.494 1.00 0.00 C ATOM 484 CD LYS A 57 11.582 3.511 -11.936 1.00 0.00 C ATOM 485 CE LYS A 57 10.911 4.529 -12.846 1.00 0.00 C ATOM 486 NZ LYS A 57 11.830 5.644 -13.204 1.00 0.00 N ATOM 0 H LYS A 57 8.598 2.513 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 57 8.697 4.387 -10.287 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.249 2.140 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.928 1.933 -10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.770 4.673 -10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.955 3.483 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.664 3.638 -11.983 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.363 2.504 -12.292 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.569 4.034 -13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.027 4.932 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.375 6.553 -12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.711 5.556 -12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.046 5.603 -14.220 1.00 0.00 H new ATOM 500 N LYS A 58 7.828 2.683 -12.199 1.00 0.00 N ATOM 501 CA LYS A 58 6.902 2.075 -13.157 1.00 0.00 C ATOM 502 C LYS A 58 7.452 0.764 -13.728 1.00 0.00 C ATOM 503 O LYS A 58 8.663 0.604 -13.883 1.00 0.00 O ATOM 504 CB LYS A 58 6.608 3.055 -14.298 1.00 0.00 C ATOM 505 CG LYS A 58 5.482 2.599 -15.213 1.00 0.00 C ATOM 506 CD LYS A 58 5.261 3.568 -16.365 1.00 0.00 C ATOM 507 CE LYS A 58 5.946 3.088 -17.634 1.00 0.00 C ATOM 508 NZ LYS A 58 6.243 4.211 -18.566 1.00 0.00 N ATOM 0 H LYS A 58 8.649 3.117 -12.622 1.00 0.00 H new ATOM 0 HA LYS A 58 5.980 1.846 -12.623 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.351 4.026 -13.875 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.513 3.194 -14.890 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.714 1.610 -15.609 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.562 2.504 -14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.192 3.681 -16.547 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.644 4.552 -16.093 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.873 2.577 -17.375 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.310 2.359 -18.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.710 3.841 -19.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.356 4.683 -18.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.871 4.895 -18.097 1.00 0.00 H new ATOM 522 N SER A 59 6.538 -0.169 -14.025 1.00 0.00 N ATOM 523 CA SER A 59 6.883 -1.486 -14.585 1.00 0.00 C ATOM 524 C SER A 59 7.756 -2.298 -13.623 1.00 0.00 C ATOM 525 O SER A 59 8.524 -3.167 -14.040 1.00 0.00 O ATOM 526 CB SER A 59 7.589 -1.332 -15.939 1.00 0.00 C ATOM 527 OG SER A 59 7.857 -2.595 -16.523 1.00 0.00 O ATOM 0 H SER A 59 5.537 -0.034 -13.884 1.00 0.00 H new ATOM 0 HA SER A 59 5.951 -2.031 -14.733 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.967 -0.742 -16.612 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.522 -0.785 -15.806 1.00 0.00 H new ATOM 0 HG SER A 59 8.257 -3.187 -15.852 1.00 0.00 H new ATOM 533 N VAL A 60 7.618 -2.019 -12.333 1.00 0.00 N ATOM 534 CA VAL A 60 8.396 -2.707 -11.309 1.00 0.00 C ATOM 535 C VAL A 60 7.485 -3.375 -10.265 1.00 0.00 C ATOM 536 O VAL A 60 6.475 -2.800 -9.852 1.00 0.00 O ATOM 537 CB VAL A 60 9.374 -1.718 -10.622 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.624 -0.719 -9.757 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.424 -2.452 -9.802 1.00 0.00 C ATOM 0 H VAL A 60 6.972 -1.318 -11.969 1.00 0.00 H new ATOM 0 HA VAL A 60 8.972 -3.493 -11.797 1.00 0.00 H new ATOM 0 HB VAL A 60 9.888 -1.169 -11.411 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.334 -0.038 -9.288 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.931 -0.150 -10.376 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.068 -1.251 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.092 -1.728 -9.335 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.934 -3.045 -9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.000 -3.110 -10.453 1.00 0.00 H new ATOM 549 N PRO A 61 7.803 -4.620 -9.859 1.00 0.00 N ATOM 550 CA PRO A 61 7.023 -5.352 -8.847 1.00 0.00 C ATOM 551 C PRO A 61 7.130 -4.712 -7.459 1.00 0.00 C ATOM 552 O PRO A 61 8.038 -5.016 -6.688 1.00 0.00 O ATOM 553 CB PRO A 61 7.656 -6.746 -8.840 1.00 0.00 C ATOM 554 CG PRO A 61 9.029 -6.551 -9.387 1.00 0.00 C ATOM 555 CD PRO A 61 8.926 -5.424 -10.376 1.00 0.00 C ATOM 0 HA PRO A 61 5.959 -5.357 -9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.688 -7.159 -7.832 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.083 -7.442 -9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.735 -6.309 -8.592 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.390 -7.460 -9.868 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.848 -4.844 -10.422 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.728 -5.790 -11.384 1.00 0.00 H new ATOM 563 N ALA A 62 6.186 -3.841 -7.136 1.00 0.00 N ATOM 564 CA ALA A 62 6.191 -3.151 -5.850 1.00 0.00 C ATOM 565 C ALA A 62 5.264 -3.821 -4.838 1.00 0.00 C ATOM 566 O ALA A 62 4.155 -4.238 -5.175 1.00 0.00 O ATOM 567 CB ALA A 62 5.799 -1.696 -6.047 1.00 0.00 C ATOM 0 H ALA A 62 5.406 -3.594 -7.745 1.00 0.00 H new ATOM 0 HA ALA A 62 7.201 -3.204 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.804 -1.184 -5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.511 -1.215 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.800 -1.644 -6.481 1.00 0.00 H new ATOM 573 N ARG A 63 5.722 -3.919 -3.592 1.00 0.00 N ATOM 574 CA ARG A 63 4.924 -4.534 -2.540 1.00 0.00 C ATOM 575 C ARG A 63 4.676 -3.567 -1.382 1.00 0.00 C ATOM 576 O ARG A 63 5.596 -2.939 -0.853 1.00 0.00 O ATOM 577 CB ARG A 63 5.576 -5.821 -2.043 1.00 0.00 C ATOM 578 CG ARG A 63 6.919 -5.625 -1.376 1.00 0.00 C ATOM 579 CD ARG A 63 7.962 -6.551 -1.967 1.00 0.00 C ATOM 580 NE ARG A 63 7.921 -6.566 -3.429 1.00 0.00 N ATOM 581 CZ ARG A 63 7.906 -7.667 -4.161 1.00 0.00 C ATOM 582 NH1 ARG A 63 7.936 -8.850 -3.594 1.00 0.00 N ATOM 583 NH2 ARG A 63 7.873 -7.583 -5.467 1.00 0.00 N ATOM 0 H ARG A 63 6.636 -3.582 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 63 3.955 -4.786 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.901 -6.307 -1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.699 -6.501 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.239 -4.590 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.828 -5.811 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.952 -6.239 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.804 -7.562 -1.590 1.00 0.00 H new ATOM 0 HE ARG A 63 7.903 -5.669 -3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.971 -8.928 -2.578 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.924 -9.692 -4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.859 -6.669 -5.919 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.861 -8.432 -6.033 1.00 0.00 H new ATOM 597 N ILE A 64 3.412 -3.444 -1.009 1.00 0.00 N ATOM 598 CA ILE A 64 3.010 -2.563 0.083 1.00 0.00 C ATOM 599 C ILE A 64 2.776 -3.364 1.366 1.00 0.00 C ATOM 600 O ILE A 64 1.863 -4.186 1.431 1.00 0.00 O ATOM 601 CB ILE A 64 1.726 -1.777 -0.271 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.726 -1.364 -1.750 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.586 -0.557 0.626 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.728 -0.276 -2.089 1.00 0.00 C ATOM 0 H ILE A 64 2.640 -3.946 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 64 3.822 -1.853 0.242 1.00 0.00 H new ATOM 0 HB ILE A 64 0.870 -2.430 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.938 -2.241 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.727 -1.021 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.677 -0.015 0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.531 -0.875 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.449 0.095 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.665 -0.042 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.505 0.618 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.734 -0.622 -1.853 1.00 0.00 H new ATOM 616 N VAL A 65 3.603 -3.122 2.381 1.00 0.00 N ATOM 617 CA VAL A 65 3.486 -3.836 3.655 1.00 0.00 C ATOM 618 C VAL A 65 2.589 -3.083 4.636 1.00 0.00 C ATOM 619 O VAL A 65 2.966 -2.031 5.146 1.00 0.00 O ATOM 620 CB VAL A 65 4.866 -4.054 4.314 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.786 -5.136 5.382 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.916 -4.407 3.272 1.00 0.00 C ATOM 0 H VAL A 65 4.360 -2.439 2.348 1.00 0.00 H new ATOM 0 HA VAL A 65 3.041 -4.804 3.425 1.00 0.00 H new ATOM 0 HB VAL A 65 5.163 -3.121 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.768 -5.274 5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.072 -4.837 6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.460 -6.072 4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.879 -4.555 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.625 -5.323 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.998 -3.596 2.549 1.00 0.00 H new ATOM 632 N PHE A 66 1.411 -3.626 4.904 1.00 0.00 N ATOM 633 CA PHE A 66 0.474 -2.995 5.828 1.00 0.00 C ATOM 634 C PHE A 66 0.607 -3.576 7.236 1.00 0.00 C ATOM 635 O PHE A 66 0.311 -4.751 7.470 1.00 0.00 O ATOM 636 CB PHE A 66 -0.962 -3.159 5.326 1.00 0.00 C ATOM 637 CG PHE A 66 -1.265 -2.336 4.105 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.481 -0.972 4.212 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.327 -2.926 2.853 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.753 -0.211 3.092 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.598 -2.169 1.730 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.812 -0.810 1.851 1.00 0.00 C ATOM 0 H PHE A 66 1.079 -4.500 4.497 1.00 0.00 H new ATOM 0 HA PHE A 66 0.716 -1.933 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.142 -4.210 5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.652 -2.881 6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.436 -0.498 5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.162 -3.989 2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.919 0.852 3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.642 -2.639 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.025 -0.217 0.974 1.00 0.00 H new ATOM 652 N ASP A 67 1.062 -2.743 8.167 1.00 0.00 N ATOM 653 CA ASP A 67 1.235 -3.156 9.557 1.00 0.00 C ATOM 654 C ASP A 67 0.057 -2.668 10.402 1.00 0.00 C ATOM 655 O ASP A 67 -0.046 -1.478 10.701 1.00 0.00 O ATOM 656 CB ASP A 67 2.555 -2.600 10.108 1.00 0.00 C ATOM 657 CG ASP A 67 2.789 -2.964 11.564 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.984 -4.164 11.852 1.00 0.00 O ATOM 659 OD2 ASP A 67 2.775 -2.049 12.414 1.00 0.00 O ATOM 0 H ASP A 67 1.319 -1.773 7.983 1.00 0.00 H new ATOM 0 HA ASP A 67 1.267 -4.245 9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.382 -2.979 9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.557 -1.515 10.005 1.00 0.00 H new ATOM 664 N ARG A 68 -0.823 -3.586 10.790 1.00 0.00 N ATOM 665 CA ARG A 68 -1.994 -3.225 11.584 1.00 0.00 C ATOM 666 C ARG A 68 -1.646 -3.006 13.056 1.00 0.00 C ATOM 667 O ARG A 68 -1.402 -3.955 13.805 1.00 0.00 O ATOM 668 CB ARG A 68 -3.083 -4.291 11.463 1.00 0.00 C ATOM 669 CG ARG A 68 -4.423 -3.843 12.027 1.00 0.00 C ATOM 670 CD ARG A 68 -5.447 -3.621 10.929 1.00 0.00 C ATOM 671 NE ARG A 68 -6.246 -4.817 10.680 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.444 -5.029 11.195 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.004 -4.141 11.983 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.085 -6.135 10.914 1.00 0.00 N ATOM 0 H ARG A 68 -0.749 -4.579 10.570 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.367 -2.282 11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.208 -4.556 10.413 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.760 -5.193 11.983 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.794 -4.594 12.724 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.290 -2.921 12.593 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.104 -2.797 11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.937 -3.327 10.011 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.855 -5.534 10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.514 -3.274 12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.929 -4.318 12.374 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.659 -6.829 10.300 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.010 -6.303 11.309 1.00 0.00 H new ATOM 688 N LYS A 69 -1.633 -1.741 13.457 1.00 0.00 N ATOM 689 CA LYS A 69 -1.337 -1.362 14.834 1.00 0.00 C ATOM 690 C LYS A 69 -2.638 -1.074 15.592 1.00 0.00 C ATOM 691 O LYS A 69 -2.759 -1.358 16.786 1.00 0.00 O ATOM 692 CB LYS A 69 -0.411 -0.136 14.843 1.00 0.00 C ATOM 693 CG LYS A 69 -0.368 0.617 16.166 1.00 0.00 C ATOM 694 CD LYS A 69 0.358 -0.179 17.237 1.00 0.00 C ATOM 695 CE LYS A 69 -0.159 0.154 18.627 1.00 0.00 C ATOM 696 NZ LYS A 69 -1.324 -0.694 19.006 1.00 0.00 N ATOM 0 H LYS A 69 -1.826 -0.952 12.841 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.828 -2.185 15.337 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.599 -0.458 14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.732 0.551 14.060 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.130 1.576 16.024 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.384 0.831 16.497 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.233 -1.245 17.047 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.426 0.030 17.186 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.641 0.017 19.354 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.447 1.204 18.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.741 -0.337 19.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.037 -0.663 18.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.009 -1.675 19.144 1.00 0.00 H new ATOM 710 N ASP A 70 -3.615 -0.518 14.880 1.00 0.00 N ATOM 711 CA ASP A 70 -4.913 -0.200 15.469 1.00 0.00 C ATOM 712 C ASP A 70 -6.001 -1.138 14.928 1.00 0.00 C ATOM 713 O ASP A 70 -6.112 -1.338 13.717 1.00 0.00 O ATOM 714 CB ASP A 70 -5.274 1.260 15.179 1.00 0.00 C ATOM 715 CG ASP A 70 -6.198 1.854 16.225 1.00 0.00 C ATOM 716 OD1 ASP A 70 -5.691 2.352 17.252 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.428 1.819 16.016 1.00 0.00 O ATOM 0 H ASP A 70 -3.532 -0.278 13.892 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.849 -0.342 16.548 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.361 1.853 15.129 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.750 1.325 14.201 1.00 0.00 H new ATOM 722 N PRO A 71 -6.835 -1.705 15.821 1.00 0.00 N ATOM 723 CA PRO A 71 -7.910 -2.631 15.439 1.00 0.00 C ATOM 724 C PRO A 71 -9.170 -1.922 14.937 1.00 0.00 C ATOM 725 O PRO A 71 -10.290 -2.321 15.256 1.00 0.00 O ATOM 726 CB PRO A 71 -8.197 -3.356 16.751 1.00 0.00 C ATOM 727 CG PRO A 71 -7.940 -2.325 17.795 1.00 0.00 C ATOM 728 CD PRO A 71 -6.801 -1.484 17.279 1.00 0.00 C ATOM 0 HA PRO A 71 -7.618 -3.277 14.612 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.225 -3.717 16.791 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.549 -4.223 16.878 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.827 -1.716 17.968 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.682 -2.790 18.747 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.936 -0.431 17.528 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.848 -1.793 17.709 1.00 0.00 H new ATOM 736 N SER A 72 -8.981 -0.868 14.151 1.00 0.00 N ATOM 737 CA SER A 72 -10.104 -0.106 13.600 1.00 0.00 C ATOM 738 C SER A 72 -10.878 -0.925 12.566 1.00 0.00 C ATOM 739 O SER A 72 -10.279 -1.558 11.694 1.00 0.00 O ATOM 740 CB SER A 72 -9.604 1.187 12.950 1.00 0.00 C ATOM 741 OG SER A 72 -10.668 1.890 12.328 1.00 0.00 O ATOM 0 H SER A 72 -8.062 -0.519 13.879 1.00 0.00 H new ATOM 0 HA SER A 72 -10.773 0.135 14.426 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.137 1.820 13.705 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.837 0.954 12.211 1.00 0.00 H new ATOM 0 HG SER A 72 -10.323 2.713 11.922 1.00 0.00 H new ATOM 747 N PRO A 73 -12.224 -0.913 12.641 1.00 0.00 N ATOM 748 CA PRO A 73 -13.078 -1.657 11.702 1.00 0.00 C ATOM 749 C PRO A 73 -12.958 -1.146 10.265 1.00 0.00 C ATOM 750 O PRO A 73 -13.144 -1.898 9.310 1.00 0.00 O ATOM 751 CB PRO A 73 -14.494 -1.420 12.237 1.00 0.00 C ATOM 752 CG PRO A 73 -14.394 -0.165 13.033 1.00 0.00 C ATOM 753 CD PRO A 73 -13.020 -0.175 13.639 1.00 0.00 C ATOM 0 HA PRO A 73 -12.797 -2.709 11.651 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.212 -1.317 11.424 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.829 -2.254 12.854 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.537 0.712 12.401 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.162 -0.129 13.806 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.639 0.835 13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.010 -0.671 14.610 1.00 0.00 H new ATOM 761 N CYS A 74 -12.631 0.138 10.120 1.00 0.00 N ATOM 762 CA CYS A 74 -12.478 0.751 8.800 1.00 0.00 C ATOM 763 C CYS A 74 -11.125 0.397 8.180 1.00 0.00 C ATOM 764 O CYS A 74 -10.888 0.650 7.001 1.00 0.00 O ATOM 765 CB CYS A 74 -12.619 2.271 8.899 1.00 0.00 C ATOM 766 SG CYS A 74 -14.252 2.893 8.436 1.00 0.00 S ATOM 0 H CYS A 74 -12.467 0.774 10.900 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.266 0.358 8.157 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.401 2.579 9.922 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.870 2.737 8.259 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.273 4.187 8.554 1.00 0.00 H new ATOM 772 N LEU A 75 -10.242 -0.191 8.984 1.00 0.00 N ATOM 773 CA LEU A 75 -8.914 -0.576 8.516 1.00 0.00 C ATOM 774 C LEU A 75 -8.767 -2.098 8.435 1.00 0.00 C ATOM 775 O LEU A 75 -7.668 -2.613 8.235 1.00 0.00 O ATOM 776 CB LEU A 75 -7.846 -0.001 9.449 1.00 0.00 C ATOM 777 CG LEU A 75 -7.601 1.502 9.307 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.871 2.034 10.527 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.808 1.797 8.043 1.00 0.00 C ATOM 0 H LEU A 75 -10.423 -0.411 9.963 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.782 -0.171 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.135 -0.211 10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.907 -0.525 9.268 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.566 2.004 9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.703 3.105 10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.473 1.854 11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.912 1.525 10.628 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.644 2.871 7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.847 1.285 8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.365 1.446 7.174 1.00 0.00 H new ATOM 791 N ASP A 76 -9.884 -2.812 8.584 1.00 0.00 N ATOM 792 CA ASP A 76 -9.883 -4.276 8.533 1.00 0.00 C ATOM 793 C ASP A 76 -9.564 -4.797 7.126 1.00 0.00 C ATOM 794 O ASP A 76 -8.834 -5.776 6.965 1.00 0.00 O ATOM 795 CB ASP A 76 -11.241 -4.812 8.993 1.00 0.00 C ATOM 796 CG ASP A 76 -11.150 -6.204 9.590 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.863 -6.315 10.803 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.373 -7.187 8.847 1.00 0.00 O ATOM 0 H ASP A 76 -10.803 -2.399 8.741 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.100 -4.632 9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.664 -4.131 9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.926 -4.829 8.146 1.00 0.00 H new ATOM 803 N GLN A 77 -10.119 -4.143 6.114 1.00 0.00 N ATOM 804 CA GLN A 77 -9.897 -4.548 4.729 1.00 0.00 C ATOM 805 C GLN A 77 -9.327 -3.401 3.899 1.00 0.00 C ATOM 806 O GLN A 77 -9.612 -2.232 4.160 1.00 0.00 O ATOM 807 CB GLN A 77 -11.210 -5.030 4.103 1.00 0.00 C ATOM 808 CG GLN A 77 -11.080 -6.317 3.306 1.00 0.00 C ATOM 809 CD GLN A 77 -12.205 -7.294 3.584 1.00 0.00 C ATOM 810 OE1 GLN A 77 -12.023 -8.284 4.287 1.00 0.00 O ATOM 811 NE2 GLN A 77 -13.378 -7.024 3.034 1.00 0.00 N ATOM 0 H GLN A 77 -10.726 -3.331 6.224 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.173 -5.362 4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.945 -5.178 4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.598 -4.248 3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.064 -6.081 2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.127 -6.790 3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.491 -6.191 2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.170 -7.649 3.188 1.00 0.00 H new ATOM 820 N ILE A 78 -8.517 -3.742 2.907 1.00 0.00 N ATOM 821 CA ILE A 78 -7.928 -2.744 2.020 1.00 0.00 C ATOM 822 C ILE A 78 -8.132 -3.144 0.559 1.00 0.00 C ATOM 823 O ILE A 78 -7.862 -4.280 0.166 1.00 0.00 O ATOM 824 CB ILE A 78 -6.419 -2.522 2.296 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.839 -1.517 1.295 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.649 -3.834 2.239 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.278 -0.271 1.943 1.00 0.00 C ATOM 0 H ILE A 78 -8.251 -4.704 2.694 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.440 -1.803 2.219 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.316 -2.117 3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.051 -2.003 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.618 -1.230 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.594 -3.645 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.042 -4.519 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.759 -4.278 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.885 0.394 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.068 0.239 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.476 -0.547 2.628 1.00 0.00 H new ATOM 839 N VAL A 79 -8.634 -2.215 -0.237 1.00 0.00 N ATOM 840 CA VAL A 79 -8.867 -2.482 -1.647 1.00 0.00 C ATOM 841 C VAL A 79 -8.351 -1.338 -2.518 1.00 0.00 C ATOM 842 O VAL A 79 -8.587 -0.164 -2.234 1.00 0.00 O ATOM 843 CB VAL A 79 -10.366 -2.742 -1.946 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.242 -1.684 -1.297 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.629 -2.806 -3.446 1.00 0.00 C ATOM 0 H VAL A 79 -8.887 -1.275 0.066 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.312 -3.388 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.622 -3.711 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.288 -1.890 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.093 -1.701 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.974 -0.701 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.689 -2.989 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.343 -1.860 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.043 -3.614 -3.884 1.00 0.00 H new ATOM 855 N PHE A 80 -7.617 -1.702 -3.558 1.00 0.00 N ATOM 856 CA PHE A 80 -7.075 -0.736 -4.501 1.00 0.00 C ATOM 857 C PHE A 80 -8.048 -0.572 -5.671 1.00 0.00 C ATOM 858 O PHE A 80 -8.085 -1.411 -6.573 1.00 0.00 O ATOM 859 CB PHE A 80 -5.711 -1.216 -5.010 1.00 0.00 C ATOM 860 CG PHE A 80 -4.556 -0.841 -4.122 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.397 -1.432 -2.878 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.624 0.098 -4.537 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.332 -1.094 -2.064 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.556 0.440 -3.726 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.411 -0.156 -2.489 1.00 0.00 C ATOM 0 H PHE A 80 -7.381 -2.671 -3.772 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.944 0.226 -4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.736 -2.301 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.540 -0.802 -6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.114 -2.166 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.733 0.568 -5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.220 -1.562 -1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.836 1.173 -4.060 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.579 0.111 -1.855 1.00 0.00 H new ATOM 875 N PRO A 81 -8.841 0.517 -5.686 1.00 0.00 N ATOM 876 CA PRO A 81 -9.838 0.760 -6.743 1.00 0.00 C ATOM 877 C PRO A 81 -9.220 1.018 -8.117 1.00 0.00 C ATOM 878 O PRO A 81 -9.906 0.947 -9.134 1.00 0.00 O ATOM 879 CB PRO A 81 -10.587 2.002 -6.251 1.00 0.00 C ATOM 880 CG PRO A 81 -9.641 2.685 -5.326 1.00 0.00 C ATOM 881 CD PRO A 81 -8.821 1.601 -4.687 1.00 0.00 C ATOM 0 HA PRO A 81 -10.473 -0.113 -6.893 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.863 2.651 -7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.510 1.729 -5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.005 3.386 -5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.180 3.260 -4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.805 1.936 -4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.251 1.280 -3.738 1.00 0.00 H new ATOM 889 N ASP A 82 -7.925 1.312 -8.144 1.00 0.00 N ATOM 890 CA ASP A 82 -7.235 1.575 -9.400 1.00 0.00 C ATOM 891 C ASP A 82 -6.434 0.354 -9.878 1.00 0.00 C ATOM 892 O ASP A 82 -5.901 0.352 -10.989 1.00 0.00 O ATOM 893 CB ASP A 82 -6.313 2.786 -9.244 1.00 0.00 C ATOM 894 CG ASP A 82 -7.083 4.079 -9.043 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.954 4.388 -9.882 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.811 4.783 -8.044 1.00 0.00 O ATOM 0 H ASP A 82 -7.335 1.374 -7.314 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.989 1.788 -10.157 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.649 2.626 -8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.683 2.876 -10.129 1.00 0.00 H new ATOM 901 N PHE A 83 -6.346 -0.683 -9.041 1.00 0.00 N ATOM 902 CA PHE A 83 -5.603 -1.895 -9.400 1.00 0.00 C ATOM 903 C PHE A 83 -6.491 -3.144 -9.369 1.00 0.00 C ATOM 904 O PHE A 83 -6.167 -4.156 -9.989 1.00 0.00 O ATOM 905 CB PHE A 83 -4.407 -2.078 -8.457 1.00 0.00 C ATOM 906 CG PHE A 83 -3.252 -1.175 -8.784 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.251 0.147 -8.370 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.171 -1.645 -9.515 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.198 0.983 -8.677 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.112 -0.812 -9.823 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.128 0.503 -9.404 1.00 0.00 C ATOM 0 H PHE A 83 -6.776 -0.709 -8.117 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.247 -1.770 -10.423 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.728 -1.890 -7.433 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.073 -3.115 -8.501 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.085 0.528 -7.800 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.157 -2.673 -9.847 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.211 2.012 -8.349 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.274 -1.189 -10.390 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.303 1.156 -9.645 1.00 0.00 H new ATOM 921 N GLY A 84 -7.607 -3.070 -8.647 1.00 0.00 N ATOM 922 CA GLY A 84 -8.512 -4.207 -8.546 1.00 0.00 C ATOM 923 C GLY A 84 -8.028 -5.235 -7.538 1.00 0.00 C ATOM 924 O GLY A 84 -8.310 -6.426 -7.664 1.00 0.00 O ATOM 0 H GLY A 84 -7.902 -2.242 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.503 -3.856 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.612 -4.678 -9.524 1.00 0.00 H new ATOM 928 N VAL A 85 -7.309 -4.763 -6.526 1.00 0.00 N ATOM 929 CA VAL A 85 -6.756 -5.637 -5.496 1.00 0.00 C ATOM 930 C VAL A 85 -7.446 -5.428 -4.143 1.00 0.00 C ATOM 931 O VAL A 85 -7.363 -4.356 -3.553 1.00 0.00 O ATOM 932 CB VAL A 85 -5.236 -5.393 -5.344 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.684 -6.079 -4.104 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.496 -5.858 -6.589 1.00 0.00 C ATOM 0 H VAL A 85 -7.094 -3.774 -6.396 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.933 -6.665 -5.813 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.080 -4.321 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.614 -5.887 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.186 -5.689 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.856 -7.153 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.428 -5.679 -6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.671 -6.923 -6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.859 -5.305 -7.456 1.00 0.00 H new ATOM 944 N HIS A 86 -8.130 -6.464 -3.664 1.00 0.00 N ATOM 945 CA HIS A 86 -8.827 -6.407 -2.372 1.00 0.00 C ATOM 946 C HIS A 86 -8.257 -7.455 -1.410 1.00 0.00 C ATOM 947 O HIS A 86 -8.220 -8.645 -1.733 1.00 0.00 O ATOM 948 CB HIS A 86 -10.340 -6.619 -2.554 1.00 0.00 C ATOM 949 CG HIS A 86 -10.710 -7.658 -3.575 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.197 -8.939 -3.571 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.554 -7.599 -4.633 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.708 -9.621 -4.580 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.534 -8.830 -5.239 1.00 0.00 N ATOM 0 H HIS A 86 -8.219 -7.357 -4.149 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.669 -5.416 -1.946 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.771 -6.903 -1.594 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.794 -5.670 -2.840 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.527 -9.303 -2.894 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.135 -6.742 -4.942 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.488 -10.650 -4.824 1.00 0.00 H new ATOM 961 N ALA A 87 -7.821 -7.019 -0.230 1.00 0.00 N ATOM 962 CA ALA A 87 -7.240 -7.938 0.751 1.00 0.00 C ATOM 963 C ALA A 87 -7.620 -7.571 2.187 1.00 0.00 C ATOM 964 O ALA A 87 -8.007 -6.437 2.472 1.00 0.00 O ATOM 965 CB ALA A 87 -5.726 -7.965 0.604 1.00 0.00 C ATOM 0 H ALA A 87 -7.857 -6.045 0.070 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.648 -8.929 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.301 -8.651 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.464 -8.299 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.326 -6.964 0.769 1.00 0.00 H new ATOM 971 N ASN A 88 -7.498 -8.543 3.087 1.00 0.00 N ATOM 972 CA ASN A 88 -7.816 -8.338 4.501 1.00 0.00 C ATOM 973 C ASN A 88 -6.534 -8.208 5.324 1.00 0.00 C ATOM 974 O ASN A 88 -5.563 -8.928 5.089 1.00 0.00 O ATOM 975 CB ASN A 88 -8.668 -9.502 5.024 1.00 0.00 C ATOM 976 CG ASN A 88 -9.218 -9.250 6.418 1.00 0.00 C ATOM 977 OD1 ASN A 88 -8.560 -9.523 7.415 1.00 0.00 O ATOM 978 ND2 ASN A 88 -10.435 -8.738 6.493 1.00 0.00 N ATOM 0 H ASN A 88 -7.180 -9.486 2.863 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.385 -7.413 4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.497 -9.677 4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.066 -10.411 5.035 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.857 -8.557 7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.952 -8.524 5.640 1.00 0.00 H new ATOM 985 N LEU A 89 -6.532 -7.289 6.283 1.00 0.00 N ATOM 986 CA LEU A 89 -5.356 -7.074 7.123 1.00 0.00 C ATOM 987 C LEU A 89 -5.521 -7.732 8.496 1.00 0.00 C ATOM 988 O LEU A 89 -6.516 -7.510 9.189 1.00 0.00 O ATOM 989 CB LEU A 89 -5.084 -5.576 7.293 1.00 0.00 C ATOM 990 CG LEU A 89 -5.028 -4.768 5.992 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.889 -3.284 6.289 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.880 -5.246 5.117 1.00 0.00 C ATOM 0 H LEU A 89 -7.324 -6.684 6.499 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.506 -7.538 6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.860 -5.153 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.137 -5.453 7.819 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.962 -4.923 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.851 -2.728 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.744 -2.949 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.972 -3.110 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.855 -4.661 4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.938 -5.121 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.022 -6.299 4.874 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.543 -8.560 8.899 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.570 -9.244 10.193 1.00 0.00 C ATOM 1006 C PRO A 90 -4.103 -8.344 11.341 1.00 0.00 C ATOM 1007 O PRO A 90 -3.031 -7.740 11.277 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.603 -10.409 9.986 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.631 -9.934 8.954 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.343 -8.903 8.116 1.00 0.00 C ATOM 0 HA PRO A 90 -5.576 -9.552 10.477 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.095 -10.669 10.915 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.129 -11.302 9.650 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.748 -9.504 9.426 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.289 -10.764 8.336 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.716 -8.028 7.945 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.608 -9.301 7.136 1.00 0.00 H new ATOM 1018 N MET A 91 -4.914 -8.261 12.394 1.00 0.00 N ATOM 1019 CA MET A 91 -4.588 -7.429 13.552 1.00 0.00 C ATOM 1020 C MET A 91 -3.366 -7.965 14.305 1.00 0.00 C ATOM 1021 O MET A 91 -3.327 -9.130 14.703 1.00 0.00 O ATOM 1022 CB MET A 91 -5.791 -7.341 14.496 1.00 0.00 C ATOM 1023 CG MET A 91 -5.514 -6.558 15.769 1.00 0.00 C ATOM 1024 SD MET A 91 -4.952 -4.876 15.449 1.00 0.00 S ATOM 1025 CE MET A 91 -3.983 -4.558 16.920 1.00 0.00 C ATOM 0 H MET A 91 -5.801 -8.759 12.470 1.00 0.00 H new ATOM 0 HA MET A 91 -4.344 -6.432 13.186 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.623 -6.875 13.967 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.107 -8.350 14.762 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.421 -6.524 16.373 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.760 -7.082 16.355 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.086 -3.511 17.204 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.338 -5.191 17.733 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.934 -4.779 16.720 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.371 -7.099 14.490 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.156 -7.488 15.189 1.00 0.00 C ATOM 1037 C GLY A 92 -0.139 -8.158 14.279 1.00 0.00 C ATOM 1038 O GLY A 92 0.878 -8.671 14.745 1.00 0.00 O ATOM 0 H GLY A 92 -2.385 -6.132 14.167 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.705 -6.605 15.642 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.412 -8.168 16.002 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.411 -8.152 12.976 1.00 0.00 N ATOM 1043 CA GLU A 93 0.484 -8.768 11.999 1.00 0.00 C ATOM 1044 C GLU A 93 0.678 -7.863 10.781 1.00 0.00 C ATOM 1045 O GLU A 93 0.077 -6.791 10.684 1.00 0.00 O ATOM 1046 CB GLU A 93 -0.066 -10.131 11.562 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.160 -11.148 12.691 1.00 0.00 C ATOM 1048 CD GLU A 93 1.149 -11.876 12.943 1.00 0.00 C ATOM 1049 OE1 GLU A 93 2.072 -11.750 12.109 1.00 0.00 O ATOM 1050 OE2 GLU A 93 1.250 -12.575 13.973 1.00 0.00 O ATOM 0 H GLU A 93 -1.245 -7.727 12.572 1.00 0.00 H new ATOM 0 HA GLU A 93 1.455 -8.911 12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.056 -9.990 11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.572 -10.534 10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.469 -10.641 13.605 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.935 -11.877 12.453 1.00 0.00 H new ATOM 1057 N GLU A 94 1.527 -8.298 9.854 1.00 0.00 N ATOM 1058 CA GLU A 94 1.807 -7.524 8.645 1.00 0.00 C ATOM 1059 C GLU A 94 1.319 -8.245 7.387 1.00 0.00 C ATOM 1060 O GLU A 94 1.543 -9.444 7.215 1.00 0.00 O ATOM 1061 CB GLU A 94 3.308 -7.247 8.526 1.00 0.00 C ATOM 1062 CG GLU A 94 3.831 -6.237 9.537 1.00 0.00 C ATOM 1063 CD GLU A 94 4.746 -6.862 10.577 1.00 0.00 C ATOM 1064 OE1 GLU A 94 4.427 -7.969 11.061 1.00 0.00 O ATOM 1065 OE2 GLU A 94 5.782 -6.244 10.904 1.00 0.00 O ATOM 0 H GLU A 94 2.033 -9.181 9.915 1.00 0.00 H new ATOM 0 HA GLU A 94 1.266 -6.581 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.851 -8.184 8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.522 -6.884 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.371 -5.450 9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.988 -5.763 10.040 1.00 0.00 H new ATOM 1072 N TYR A 95 0.654 -7.500 6.513 1.00 0.00 N ATOM 1073 CA TYR A 95 0.145 -8.048 5.256 1.00 0.00 C ATOM 1074 C TYR A 95 0.725 -7.276 4.074 1.00 0.00 C ATOM 1075 O TYR A 95 0.620 -6.052 4.013 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.385 -7.993 5.224 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.011 -9.018 4.304 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.211 -10.326 4.725 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.398 -8.677 3.014 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.781 -11.265 3.887 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.968 -9.611 2.170 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.157 -10.904 2.612 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.725 -11.836 1.773 1.00 0.00 O ATOM 0 H TYR A 95 0.452 -6.510 6.650 1.00 0.00 H new ATOM 0 HA TYR A 95 0.454 -9.091 5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.766 -8.143 6.234 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.698 -6.997 4.910 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.916 -10.614 5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.251 -7.666 2.665 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.931 -12.278 4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.264 -9.330 1.170 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.932 -11.417 0.912 1.00 0.00 H new ATOM 1093 N VAL A 96 1.335 -7.988 3.134 1.00 0.00 N ATOM 1094 CA VAL A 96 1.943 -7.338 1.977 1.00 0.00 C ATOM 1095 C VAL A 96 1.099 -7.487 0.703 1.00 0.00 C ATOM 1096 O VAL A 96 0.509 -8.537 0.440 1.00 0.00 O ATOM 1097 CB VAL A 96 3.386 -7.858 1.737 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.401 -9.142 0.918 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.230 -6.787 1.065 1.00 0.00 C ATOM 0 H VAL A 96 1.422 -9.004 3.148 1.00 0.00 H new ATOM 0 HA VAL A 96 1.988 -6.274 2.210 1.00 0.00 H new ATOM 0 HB VAL A 96 3.816 -8.090 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.431 -9.470 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.844 -9.916 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.939 -8.960 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.239 -7.167 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.785 -6.521 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.273 -5.904 1.703 1.00 0.00 H new ATOM 1109 N VAL A 97 1.026 -6.402 -0.064 1.00 0.00 N ATOM 1110 CA VAL A 97 0.287 -6.384 -1.325 1.00 0.00 C ATOM 1111 C VAL A 97 1.243 -6.138 -2.491 1.00 0.00 C ATOM 1112 O VAL A 97 1.798 -5.049 -2.633 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.816 -5.298 -1.323 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.420 -5.120 -2.712 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.899 -5.644 -0.313 1.00 0.00 C ATOM 0 H VAL A 97 1.474 -5.516 0.168 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.192 -7.356 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.356 -4.353 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.191 -4.351 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.640 -4.821 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.861 -6.061 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.667 -4.871 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.346 -6.603 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.461 -5.706 0.683 1.00 0.00 H new ATOM 1125 N GLU A 98 1.440 -7.159 -3.316 1.00 0.00 N ATOM 1126 CA GLU A 98 2.339 -7.051 -4.466 1.00 0.00 C ATOM 1127 C GLU A 98 1.576 -6.654 -5.731 1.00 0.00 C ATOM 1128 O GLU A 98 0.679 -7.368 -6.179 1.00 0.00 O ATOM 1129 CB GLU A 98 3.073 -8.375 -4.696 1.00 0.00 C ATOM 1130 CG GLU A 98 4.352 -8.514 -3.885 1.00 0.00 C ATOM 1131 CD GLU A 98 4.766 -9.958 -3.689 1.00 0.00 C ATOM 1132 OE1 GLU A 98 5.518 -10.484 -4.539 1.00 0.00 O ATOM 1133 OE2 GLU A 98 4.338 -10.568 -2.686 1.00 0.00 O ATOM 0 H GLU A 98 0.992 -8.070 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 98 3.067 -6.271 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.404 -9.199 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.313 -8.468 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.156 -7.975 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.213 -8.045 -2.911 1.00 0.00 H new ATOM 1140 N ILE A 99 1.942 -5.510 -6.303 1.00 0.00 N ATOM 1141 CA ILE A 99 1.294 -5.013 -7.517 1.00 0.00 C ATOM 1142 C ILE A 99 2.327 -4.553 -8.546 1.00 0.00 C ATOM 1143 O ILE A 99 3.468 -4.239 -8.205 1.00 0.00 O ATOM 1144 CB ILE A 99 0.327 -3.842 -7.219 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.757 -3.085 -5.958 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.098 -4.359 -7.075 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.009 -1.798 -5.735 1.00 0.00 C ATOM 0 H ILE A 99 2.684 -4.908 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 99 0.721 -5.847 -7.923 1.00 0.00 H new ATOM 0 HB ILE A 99 0.362 -3.146 -8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.623 -3.733 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.821 -2.858 -6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.768 -3.525 -6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.404 -4.846 -8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.144 -5.076 -6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.348 -1.315 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.145 -1.131 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.072 -2.020 -5.636 1.00 0.00 H new ATOM 1159 N THR A 100 1.923 -4.522 -9.811 1.00 0.00 N ATOM 1160 CA THR A 100 2.816 -4.100 -10.886 1.00 0.00 C ATOM 1161 C THR A 100 2.236 -2.916 -11.657 1.00 0.00 C ATOM 1162 O THR A 100 1.430 -3.092 -12.573 1.00 0.00 O ATOM 1163 CB THR A 100 3.100 -5.252 -11.871 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.330 -6.471 -11.152 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.311 -4.939 -12.740 1.00 0.00 C ATOM 0 H THR A 100 0.986 -4.783 -10.118 1.00 0.00 H new ATOM 0 HA THR A 100 3.751 -3.798 -10.414 1.00 0.00 H new ATOM 0 HB THR A 100 2.228 -5.368 -12.515 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.508 -7.196 -11.786 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.490 -5.767 -13.426 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.124 -4.029 -13.310 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.186 -4.797 -12.106 1.00 0.00 H new ATOM 1173 N PRO A 101 2.639 -1.686 -11.290 1.00 0.00 N ATOM 1174 CA PRO A 101 2.161 -0.463 -11.947 1.00 0.00 C ATOM 1175 C PRO A 101 2.789 -0.251 -13.326 1.00 0.00 C ATOM 1176 O PRO A 101 3.925 0.204 -13.442 1.00 0.00 O ATOM 1177 CB PRO A 101 2.593 0.638 -10.980 1.00 0.00 C ATOM 1178 CG PRO A 101 3.806 0.092 -10.306 1.00 0.00 C ATOM 1179 CD PRO A 101 3.592 -1.392 -10.201 1.00 0.00 C ATOM 0 HA PRO A 101 1.088 -0.491 -12.136 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.817 1.565 -11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.807 0.864 -10.259 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.705 0.316 -10.880 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.938 0.538 -9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.525 -1.941 -10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.187 -1.670 -9.228 1.00 0.00 H new ATOM 1187 N GLU A 102 2.040 -0.577 -14.374 1.00 0.00 N ATOM 1188 CA GLU A 102 2.531 -0.423 -15.743 1.00 0.00 C ATOM 1189 C GLU A 102 2.092 0.912 -16.354 1.00 0.00 C ATOM 1190 O GLU A 102 2.017 1.055 -17.575 1.00 0.00 O ATOM 1191 CB GLU A 102 2.043 -1.585 -16.613 1.00 0.00 C ATOM 1192 CG GLU A 102 2.450 -2.954 -16.091 1.00 0.00 C ATOM 1193 CD GLU A 102 1.323 -3.968 -16.162 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.155 -3.576 -15.948 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.608 -5.155 -16.431 1.00 0.00 O ATOM 0 H GLU A 102 1.093 -0.949 -14.304 1.00 0.00 H new ATOM 0 HA GLU A 102 3.620 -0.431 -15.707 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.956 -1.542 -16.685 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.434 -1.460 -17.623 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.299 -3.320 -16.668 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.783 -2.860 -15.058 1.00 0.00 H new ATOM 1202 N GLN A 103 1.804 1.887 -15.496 1.00 0.00 N ATOM 1203 CA GLN A 103 1.377 3.210 -15.942 1.00 0.00 C ATOM 1204 C GLN A 103 1.826 4.285 -14.955 1.00 0.00 C ATOM 1205 O GLN A 103 1.618 4.158 -13.750 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.143 3.257 -16.105 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.596 3.726 -17.480 1.00 0.00 C ATOM 1208 CD GLN A 103 -2.105 3.831 -17.594 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.751 4.548 -16.836 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -2.678 3.115 -18.547 1.00 0.00 N ATOM 0 H GLN A 103 1.859 1.785 -14.483 1.00 0.00 H new ATOM 0 HA GLN A 103 1.842 3.406 -16.908 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.551 2.264 -15.917 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.560 3.921 -15.348 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.151 4.698 -17.693 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.226 3.034 -18.236 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.108 2.530 -19.158 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.690 3.148 -18.671 1.00 0.00 H new ATOM 1219 N ALA A 104 2.448 5.339 -15.471 1.00 0.00 N ATOM 1220 CA ALA A 104 2.926 6.434 -14.632 1.00 0.00 C ATOM 1221 C ALA A 104 1.841 7.484 -14.414 1.00 0.00 C ATOM 1222 O ALA A 104 1.248 7.991 -15.366 1.00 0.00 O ATOM 1223 CB ALA A 104 4.164 7.069 -15.249 1.00 0.00 C ATOM 0 H ALA A 104 2.634 5.459 -16.467 1.00 0.00 H new ATOM 0 HA ALA A 104 3.188 6.020 -13.658 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.510 7.884 -14.613 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.951 6.320 -15.339 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.919 7.458 -16.237 1.00 0.00 H new ATOM 1229 N GLY A 105 1.590 7.804 -13.151 1.00 0.00 N ATOM 1230 CA GLY A 105 0.579 8.791 -12.818 1.00 0.00 C ATOM 1231 C GLY A 105 0.188 8.756 -11.351 1.00 0.00 C ATOM 1232 O GLY A 105 0.928 8.232 -10.515 1.00 0.00 O ATOM 0 H GLY A 105 2.070 7.397 -12.348 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.951 9.785 -13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.306 8.619 -13.430 1.00 0.00 H new ATOM 1236 N GLU A 106 -0.978 9.315 -11.041 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.473 9.352 -9.667 1.00 0.00 C ATOM 1238 C GLU A 106 -2.536 8.278 -9.431 1.00 0.00 C ATOM 1239 O GLU A 106 -3.531 8.200 -10.152 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.043 10.734 -9.345 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.074 11.632 -8.589 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.383 13.106 -8.766 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -0.850 13.715 -9.717 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.159 13.653 -7.952 1.00 0.00 O ATOM 0 H GLU A 106 -1.599 9.749 -11.723 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.633 9.149 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.330 11.225 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.951 10.615 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.106 11.383 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.059 11.434 -8.932 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.309 7.455 -8.416 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.229 6.378 -8.061 1.00 0.00 C ATOM 1253 C PHE A 107 -3.771 6.591 -6.645 1.00 0.00 C ATOM 1254 O PHE A 107 -3.255 7.420 -5.896 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.513 5.027 -8.169 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.175 4.641 -9.584 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.984 5.047 -10.162 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -3.051 3.878 -10.332 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.674 4.697 -11.461 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.748 3.522 -11.633 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.557 3.932 -12.198 1.00 0.00 C ATOM 0 H PHE A 107 -1.486 7.513 -7.816 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.071 6.383 -8.753 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.596 5.062 -7.581 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.144 4.254 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.290 5.644 -9.590 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.984 3.556 -9.895 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.258 5.021 -11.900 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.441 2.924 -12.206 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.316 3.655 -13.214 1.00 0.00 H new ATOM 1271 N SER A 108 -4.806 5.844 -6.271 1.00 0.00 N ATOM 1272 CA SER A 108 -5.402 5.993 -4.946 1.00 0.00 C ATOM 1273 C SER A 108 -5.864 4.657 -4.365 1.00 0.00 C ATOM 1274 O SER A 108 -6.150 3.708 -5.100 1.00 0.00 O ATOM 1275 CB SER A 108 -6.588 6.956 -5.011 1.00 0.00 C ATOM 1276 OG SER A 108 -7.642 6.419 -5.798 1.00 0.00 O ATOM 0 H SER A 108 -5.246 5.136 -6.859 1.00 0.00 H new ATOM 0 HA SER A 108 -4.629 6.393 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.950 7.160 -4.003 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.265 7.908 -5.432 1.00 0.00 H new ATOM 0 HG SER A 108 -7.265 5.899 -6.538 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.925 4.596 -3.036 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.372 3.394 -2.332 1.00 0.00 C ATOM 1284 C PHE A 109 -7.071 3.758 -1.017 1.00 0.00 C ATOM 1285 O PHE A 109 -6.550 4.535 -0.217 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.200 2.428 -2.079 1.00 0.00 C ATOM 1287 CG PHE A 109 -4.029 3.021 -1.336 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -3.007 3.670 -2.017 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.944 2.918 0.045 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.931 4.205 -1.334 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.870 3.452 0.732 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.864 4.097 0.041 1.00 0.00 C ATOM 0 H PHE A 109 -5.669 5.369 -2.422 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.093 2.884 -2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.571 1.571 -1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.847 2.050 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.054 3.758 -3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.728 2.414 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.143 4.707 -1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.818 3.365 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.025 4.517 0.576 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.266 3.203 -0.810 1.00 0.00 N ATOM 1303 CA ALA A 110 -9.046 3.469 0.400 1.00 0.00 C ATOM 1304 C ALA A 110 -10.141 2.418 0.592 1.00 0.00 C ATOM 1305 O ALA A 110 -10.554 1.761 -0.363 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.661 4.863 0.341 1.00 0.00 C ATOM 0 H ALA A 110 -8.716 2.565 -1.466 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.370 3.416 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.238 5.045 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.869 5.607 0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.317 4.935 -0.527 1.00 0.00 H new ATOM 1312 N CYS A 111 -10.612 2.267 1.829 1.00 0.00 N ATOM 1313 CA CYS A 111 -11.662 1.295 2.135 1.00 0.00 C ATOM 1314 C CYS A 111 -12.420 1.682 3.404 1.00 0.00 C ATOM 1315 O CYS A 111 -11.954 2.501 4.193 1.00 0.00 O ATOM 1316 CB CYS A 111 -11.062 -0.103 2.298 1.00 0.00 C ATOM 1317 SG CYS A 111 -12.257 -1.449 2.120 1.00 0.00 S ATOM 0 H CYS A 111 -10.285 2.803 2.633 1.00 0.00 H new ATOM 0 HA CYS A 111 -12.365 1.291 1.302 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -10.271 -0.235 1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -10.596 -0.174 3.281 1.00 0.00 H new ATOM 0 HG CYS A 111 -11.626 -2.584 2.061 1.00 0.00 H new ATOM 1323 N GLY A 112 -13.599 1.094 3.590 1.00 0.00 N ATOM 1324 CA GLY A 112 -14.400 1.382 4.769 1.00 0.00 C ATOM 1325 C GLY A 112 -15.308 2.589 4.597 1.00 0.00 C ATOM 1326 O GLY A 112 -16.511 2.443 4.382 1.00 0.00 O ATOM 0 H GLY A 112 -14.015 0.422 2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.008 0.510 5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.737 1.552 5.618 1.00 0.00 H new ATOM 1330 N MET A 113 -14.732 3.782 4.689 1.00 0.00 N ATOM 1331 CA MET A 113 -15.499 5.019 4.549 1.00 0.00 C ATOM 1332 C MET A 113 -14.781 6.022 3.645 1.00 0.00 C ATOM 1333 O MET A 113 -13.667 5.775 3.183 1.00 0.00 O ATOM 1334 CB MET A 113 -15.743 5.643 5.927 1.00 0.00 C ATOM 1335 CG MET A 113 -17.215 5.781 6.283 1.00 0.00 C ATOM 1336 SD MET A 113 -17.480 6.788 7.755 1.00 0.00 S ATOM 1337 CE MET A 113 -18.326 8.199 7.052 1.00 0.00 C ATOM 0 H MET A 113 -13.736 3.921 4.860 1.00 0.00 H new ATOM 0 HA MET A 113 -16.454 4.771 4.087 1.00 0.00 H new ATOM 0 HB2 MET A 113 -15.251 5.033 6.685 1.00 0.00 H new ATOM 0 HB3 MET A 113 -15.277 6.628 5.958 1.00 0.00 H new ATOM 0 HG2 MET A 113 -17.748 6.225 5.442 1.00 0.00 H new ATOM 0 HG3 MET A 113 -17.641 4.790 6.443 1.00 0.00 H new ATOM 0 HE1 MET A 113 -18.729 8.818 7.854 1.00 0.00 H new ATOM 0 HE2 MET A 113 -17.624 8.786 6.459 1.00 0.00 H new ATOM 0 HE3 MET A 113 -19.140 7.855 6.415 1.00 0.00 H new ATOM 1347 N ASN A 114 -15.421 7.167 3.411 1.00 0.00 N ATOM 1348 CA ASN A 114 -14.850 8.215 2.562 1.00 0.00 C ATOM 1349 C ASN A 114 -13.910 9.131 3.355 1.00 0.00 C ATOM 1350 O ASN A 114 -13.364 10.093 2.816 1.00 0.00 O ATOM 1351 CB ASN A 114 -15.961 9.047 1.906 1.00 0.00 C ATOM 1352 CG ASN A 114 -17.169 9.246 2.805 1.00 0.00 C ATOM 1353 OD1 ASN A 114 -17.048 9.357 4.022 1.00 0.00 O ATOM 1354 ND2 ASN A 114 -18.349 9.290 2.209 1.00 0.00 N ATOM 0 H ASN A 114 -16.337 7.394 3.798 1.00 0.00 H new ATOM 0 HA ASN A 114 -14.268 7.722 1.783 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -15.560 10.021 1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.278 8.557 0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -19.196 9.420 2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -18.412 9.194 1.195 1.00 0.00 H new ATOM 1361 N MET A 115 -13.726 8.823 4.638 1.00 0.00 N ATOM 1362 CA MET A 115 -12.850 9.610 5.504 1.00 0.00 C ATOM 1363 C MET A 115 -11.394 9.152 5.387 1.00 0.00 C ATOM 1364 O MET A 115 -10.488 9.782 5.932 1.00 0.00 O ATOM 1365 CB MET A 115 -13.314 9.503 6.960 1.00 0.00 C ATOM 1366 CG MET A 115 -14.652 10.175 7.225 1.00 0.00 C ATOM 1367 SD MET A 115 -14.736 10.931 8.860 1.00 0.00 S ATOM 1368 CE MET A 115 -15.657 9.687 9.761 1.00 0.00 C ATOM 0 H MET A 115 -14.173 8.032 5.101 1.00 0.00 H new ATOM 0 HA MET A 115 -12.906 10.650 5.181 1.00 0.00 H new ATOM 0 HB2 MET A 115 -13.386 8.450 7.233 1.00 0.00 H new ATOM 0 HB3 MET A 115 -12.559 9.949 7.607 1.00 0.00 H new ATOM 0 HG2 MET A 115 -14.828 10.938 6.467 1.00 0.00 H new ATOM 0 HG3 MET A 115 -15.450 9.439 7.128 1.00 0.00 H new ATOM 0 HE1 MET A 115 -15.791 10.010 10.793 1.00 0.00 H new ATOM 0 HE2 MET A 115 -16.632 9.548 9.295 1.00 0.00 H new ATOM 0 HE3 MET A 115 -15.109 8.745 9.744 1.00 0.00 H new ATOM 1378 N MET A 116 -11.178 8.049 4.672 1.00 0.00 N ATOM 1379 CA MET A 116 -9.836 7.505 4.478 1.00 0.00 C ATOM 1380 C MET A 116 -9.055 8.320 3.447 1.00 0.00 C ATOM 1381 O MET A 116 -9.641 8.987 2.592 1.00 0.00 O ATOM 1382 CB MET A 116 -9.917 6.044 4.039 1.00 0.00 C ATOM 1383 CG MET A 116 -10.443 5.114 5.120 1.00 0.00 C ATOM 1384 SD MET A 116 -9.235 3.874 5.619 1.00 0.00 S ATOM 1385 CE MET A 116 -8.040 4.896 6.476 1.00 0.00 C ATOM 0 H MET A 116 -11.917 7.514 4.217 1.00 0.00 H new ATOM 0 HA MET A 116 -9.307 7.563 5.429 1.00 0.00 H new ATOM 0 HB2 MET A 116 -10.562 5.971 3.163 1.00 0.00 H new ATOM 0 HB3 MET A 116 -8.926 5.709 3.734 1.00 0.00 H new ATOM 0 HG2 MET A 116 -10.734 5.703 5.990 1.00 0.00 H new ATOM 0 HG3 MET A 116 -11.342 4.615 4.758 1.00 0.00 H new ATOM 0 HE1 MET A 116 -7.061 4.419 6.440 1.00 0.00 H new ATOM 0 HE2 MET A 116 -7.985 5.873 5.995 1.00 0.00 H new ATOM 0 HE3 MET A 116 -8.346 5.020 7.515 1.00 0.00 H new ATOM 1395 N HIS A 117 -7.728 8.266 3.528 1.00 0.00 N ATOM 1396 CA HIS A 117 -6.884 9.015 2.599 1.00 0.00 C ATOM 1397 C HIS A 117 -5.602 8.255 2.255 1.00 0.00 C ATOM 1398 O HIS A 117 -4.684 8.160 3.069 1.00 0.00 O ATOM 1399 CB HIS A 117 -6.533 10.380 3.193 1.00 0.00 C ATOM 1400 CG HIS A 117 -7.258 11.519 2.542 1.00 0.00 C ATOM 1401 ND1 HIS A 117 -8.576 11.444 2.142 1.00 0.00 N ATOM 1402 CD2 HIS A 117 -6.842 12.767 2.222 1.00 0.00 C ATOM 1403 CE1 HIS A 117 -8.940 12.593 1.605 1.00 0.00 C ATOM 1404 NE2 HIS A 117 -7.907 13.414 1.642 1.00 0.00 N ATOM 0 H HIS A 117 -7.217 7.717 4.220 1.00 0.00 H new ATOM 0 HA HIS A 117 -7.450 9.150 1.677 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -6.764 10.374 4.258 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.459 10.543 3.100 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -9.177 10.626 2.245 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -5.857 13.177 2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -9.916 12.822 1.204 1.00 0.00 H new ATOM 1412 N GLY A 118 -5.552 7.719 1.039 1.00 0.00 N ATOM 1413 CA GLY A 118 -4.382 6.984 0.586 1.00 0.00 C ATOM 1414 C GLY A 118 -4.067 7.261 -0.874 1.00 0.00 C ATOM 1415 O GLY A 118 -4.858 6.926 -1.758 1.00 0.00 O ATOM 0 H GLY A 118 -6.306 7.781 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.523 7.255 1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -4.549 5.916 0.725 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.914 7.869 -1.132 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.518 8.200 -2.500 1.00 0.00 C ATOM 1421 C LYS A 119 -1.214 7.505 -2.896 1.00 0.00 C ATOM 1422 O LYS A 119 -0.349 7.242 -2.059 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.372 9.717 -2.648 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.442 10.207 -4.086 1.00 0.00 C ATOM 1425 CD LYS A 119 -3.031 11.607 -4.173 1.00 0.00 C ATOM 1426 CE LYS A 119 -2.004 12.620 -4.656 1.00 0.00 C ATOM 1427 NZ LYS A 119 -2.648 13.806 -5.287 1.00 0.00 N ATOM 0 H LYS A 119 -2.239 8.142 -0.418 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.300 7.842 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.156 10.205 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.419 10.024 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.442 10.205 -4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.048 9.519 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.884 11.602 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.405 11.906 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.391 12.944 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.335 12.145 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.230 14.676 -4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.496 13.778 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.669 13.794 -5.088 1.00 0.00 H new ATOM 1441 N MET A 120 -1.084 7.208 -4.184 1.00 0.00 N ATOM 1442 CA MET A 120 0.105 6.546 -4.709 1.00 0.00 C ATOM 1443 C MET A 120 0.592 7.238 -5.983 1.00 0.00 C ATOM 1444 O MET A 120 -0.200 7.569 -6.859 1.00 0.00 O ATOM 1445 CB MET A 120 -0.209 5.076 -4.996 1.00 0.00 C ATOM 1446 CG MET A 120 1.007 4.244 -5.355 1.00 0.00 C ATOM 1447 SD MET A 120 0.846 2.531 -4.829 1.00 0.00 S ATOM 1448 CE MET A 120 0.001 1.831 -6.237 1.00 0.00 C ATOM 0 H MET A 120 -1.792 7.417 -4.888 1.00 0.00 H new ATOM 0 HA MET A 120 0.897 6.607 -3.963 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.689 4.640 -4.120 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.928 5.022 -5.814 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.161 4.277 -6.434 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.892 4.681 -4.893 1.00 0.00 H new ATOM 0 HE1 MET A 120 -0.612 0.990 -5.912 1.00 0.00 H new ATOM 0 HE2 MET A 120 -0.636 2.589 -6.693 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.734 1.486 -6.966 1.00 0.00 H new ATOM 1458 N ILE A 121 1.895 7.462 -6.083 1.00 0.00 N ATOM 1459 CA ILE A 121 2.464 8.113 -7.262 1.00 0.00 C ATOM 1460 C ILE A 121 3.465 7.194 -7.961 1.00 0.00 C ATOM 1461 O ILE A 121 4.470 6.788 -7.374 1.00 0.00 O ATOM 1462 CB ILE A 121 3.147 9.456 -6.904 1.00 0.00 C ATOM 1463 CG1 ILE A 121 2.114 10.458 -6.379 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.863 10.035 -8.117 1.00 0.00 C ATOM 1465 CD1 ILE A 121 2.053 10.534 -4.870 1.00 0.00 C ATOM 0 H ILE A 121 2.577 7.206 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 121 1.637 8.323 -7.941 1.00 0.00 H new ATOM 0 HB ILE A 121 3.883 9.265 -6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.346 11.447 -6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 121 1.130 10.185 -6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.336 10.978 -7.844 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.623 9.333 -8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.143 10.208 -8.916 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.300 11.264 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.790 9.556 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 121 3.025 10.837 -4.481 1.00 0.00 H new ATOM 1477 N VAL A 122 3.179 6.864 -9.216 1.00 0.00 N ATOM 1478 CA VAL A 122 4.047 5.987 -9.992 1.00 0.00 C ATOM 1479 C VAL A 122 4.869 6.783 -11.009 1.00 0.00 C ATOM 1480 O VAL A 122 4.321 7.451 -11.885 1.00 0.00 O ATOM 1481 CB VAL A 122 3.227 4.899 -10.721 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.126 4.028 -11.586 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.464 4.049 -9.717 1.00 0.00 C ATOM 0 H VAL A 122 2.353 7.191 -9.717 1.00 0.00 H new ATOM 0 HA VAL A 122 4.729 5.504 -9.293 1.00 0.00 H new ATOM 0 HB VAL A 122 2.509 5.394 -11.374 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.525 3.270 -12.088 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.625 4.648 -12.331 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.873 3.541 -10.959 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.891 3.287 -10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.168 3.568 -9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.785 4.682 -9.146 1.00 0.00 H new ATOM 1493 N GLU A 123 6.191 6.702 -10.887 1.00 0.00 N ATOM 1494 CA GLU A 123 7.096 7.416 -11.789 1.00 0.00 C ATOM 1495 C GLU A 123 7.144 6.758 -13.171 1.00 0.00 C ATOM 1496 O GLU A 123 7.782 7.334 -14.078 1.00 0.00 O ATOM 1497 CB GLU A 123 8.503 7.469 -11.188 1.00 0.00 C ATOM 1498 CG GLU A 123 9.130 8.854 -11.219 1.00 0.00 C ATOM 1499 CD GLU A 123 10.647 8.811 -11.201 1.00 0.00 C ATOM 1500 OE1 GLU A 123 11.225 7.917 -11.862 1.00 0.00 O ATOM 1501 OE2 GLU A 123 11.257 9.668 -10.529 1.00 0.00 O ATOM 0 H GLU A 123 6.662 6.148 -10.172 1.00 0.00 H new ATOM 0 HA GLU A 123 6.715 8.430 -11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.461 7.122 -10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.146 6.776 -11.731 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.796 9.379 -12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.777 9.428 -10.362 1.00 0.00 H new TER 1508 GLU A 123