USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 521 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 137 THR OG1 : rot 23:sc= 1.08 USER MOD Set 1.2: A 146 THR OG1 : rot -27:sc= 0.592 USER MOD Set 2.1: A 122 CYS SG : rot -35:sc= 1.43 USER MOD Set 2.2: A 136 CYS SG : rot 22:sc= 1.66 USER MOD Set 3.1: A 103 LYS NZ :NH3+ -158:sc= 1.62 (180deg=0.897) USER MOD Set 3.2: A 120 TYR OH : rot 15:sc= 0.661 USER MOD Single : A 102 CYS SG : rot -170:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.0514 K(o=-0.051,f=-1.3!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.371 K(o=-0.37,f=-0.93) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -149:sc= -0.0194 (180deg=-0.325) USER MOD Single : A 114 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.1) USER MOD Single : A 115 TYR OH : rot 18:sc= 0.646 USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 160:sc= -0.0384 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 94:sc= 0.388 USER MOD Single : A 152 THR OG1 : rot -91:sc= 0.229 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 SER OG : rot 150:sc= 0.452 USER MOD Single : A 163 THR OG1 : rot 75:sc= 0.681 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 101 -2.980 6.186 5.523 1.00 0.00 N ATOM 2 CA LEU A 101 -4.164 5.860 6.309 1.00 0.00 C ATOM 3 C LEU A 101 -3.888 5.998 7.801 1.00 0.00 C ATOM 4 O LEU A 101 -4.642 6.651 8.524 1.00 0.00 O ATOM 5 CB LEU A 101 -4.642 4.440 5.984 1.00 0.00 C ATOM 6 CG LEU A 101 -5.849 3.956 6.797 1.00 0.00 C ATOM 7 CD1 LEU A 101 -7.048 4.859 6.541 1.00 0.00 C ATOM 8 CD2 LEU A 101 -6.170 2.515 6.423 1.00 0.00 C ATOM 0 HA LEU A 101 -4.951 6.567 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.895 4.392 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.814 3.749 6.146 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.611 3.998 7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.900 4.507 7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.804 5.880 6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.300 4.838 5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.028 2.172 7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.403 2.458 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.309 1.882 6.640 1.00 0.00 H new ATOM 20 N CYS A 102 -2.805 5.381 8.258 1.00 0.00 N ATOM 21 CA CYS A 102 -2.428 5.432 9.665 1.00 0.00 C ATOM 22 C CYS A 102 -2.188 6.868 10.118 1.00 0.00 C ATOM 23 O CYS A 102 -2.564 7.249 11.226 1.00 0.00 O ATOM 24 CB CYS A 102 -1.126 4.632 9.696 1.00 0.00 C ATOM 25 SG CYS A 102 -1.336 2.849 9.473 1.00 0.00 S ATOM 0 H CYS A 102 -2.171 4.838 7.672 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.198 5.039 10.329 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -0.465 5.008 8.915 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -0.627 4.810 10.649 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.212 2.245 9.722 1.00 0.00 H new ATOM 31 N LYS A 103 -1.560 7.657 9.255 1.00 0.00 N ATOM 32 CA LYS A 103 -1.301 9.062 9.550 1.00 0.00 C ATOM 33 C LYS A 103 -2.600 9.846 9.683 1.00 0.00 C ATOM 34 O LYS A 103 -2.715 10.738 10.522 1.00 0.00 O ATOM 35 CB LYS A 103 -0.422 9.684 8.465 1.00 0.00 C ATOM 36 CG LYS A 103 1.019 9.189 8.463 1.00 0.00 C ATOM 37 CD LYS A 103 1.830 9.851 7.358 1.00 0.00 C ATOM 38 CE LYS A 103 3.262 9.338 7.339 1.00 0.00 C ATOM 39 NZ LYS A 103 4.059 9.954 6.245 1.00 0.00 N ATOM 0 H LYS A 103 -1.220 7.348 8.344 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.775 9.110 10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -0.866 9.477 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -0.421 10.767 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.479 9.398 9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 103 1.034 8.107 8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.360 9.658 6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.831 10.931 7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.736 9.551 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.258 8.255 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.871 9.344 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.463 10.062 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.401 10.888 6.548 1.00 0.00 H new ATOM 53 N ASN A 104 -3.578 9.504 8.851 1.00 0.00 N ATOM 54 CA ASN A 104 -4.895 10.128 8.919 1.00 0.00 C ATOM 55 C ASN A 104 -5.636 9.713 10.183 1.00 0.00 C ATOM 56 O ASN A 104 -6.363 10.509 10.778 1.00 0.00 O ATOM 57 CB ASN A 104 -5.727 9.804 7.692 1.00 0.00 C ATOM 58 CG ASN A 104 -5.284 10.525 6.451 1.00 0.00 C ATOM 59 OD1 ASN A 104 -4.608 11.559 6.517 1.00 0.00 O ATOM 60 ND2 ASN A 104 -5.727 10.033 5.322 1.00 0.00 N ATOM 0 H ASN A 104 -3.484 8.798 8.121 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.739 11.206 8.949 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.687 8.730 7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.768 10.054 7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.518 10.506 4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.281 9.177 5.321 1.00 0.00 H new ATOM 67 N LEU A 105 -5.448 8.463 10.590 1.00 0.00 N ATOM 68 CA LEU A 105 -6.057 7.955 11.814 1.00 0.00 C ATOM 69 C LEU A 105 -5.473 8.638 13.044 1.00 0.00 C ATOM 70 O LEU A 105 -6.184 8.903 14.014 1.00 0.00 O ATOM 71 CB LEU A 105 -5.870 6.435 11.907 1.00 0.00 C ATOM 72 CG LEU A 105 -6.661 5.616 10.880 1.00 0.00 C ATOM 73 CD1 LEU A 105 -6.259 4.149 10.961 1.00 0.00 C ATOM 74 CD2 LEU A 105 -8.151 5.782 11.135 1.00 0.00 C ATOM 0 H LEU A 105 -4.878 7.781 10.089 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.123 8.179 11.781 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.810 6.208 11.791 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.158 6.110 12.907 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.436 5.976 9.876 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.826 3.575 10.228 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.194 4.052 10.753 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.469 3.769 11.961 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.712 5.199 10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.390 5.432 12.139 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.421 6.834 11.044 1.00 0.00 H new ATOM 86 N LEU A 106 -4.176 8.920 12.999 1.00 0.00 N ATOM 87 CA LEU A 106 -3.510 9.641 14.076 1.00 0.00 C ATOM 88 C LEU A 106 -4.151 11.004 14.304 1.00 0.00 C ATOM 89 O LEU A 106 -4.411 11.395 15.442 1.00 0.00 O ATOM 90 CB LEU A 106 -2.016 9.798 13.766 1.00 0.00 C ATOM 91 CG LEU A 106 -1.173 8.530 13.951 1.00 0.00 C ATOM 92 CD1 LEU A 106 0.239 8.762 13.431 1.00 0.00 C ATOM 93 CD2 LEU A 106 -1.150 8.145 15.423 1.00 0.00 C ATOM 0 H LEU A 106 -3.564 8.659 12.226 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.621 9.060 14.992 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.909 10.139 12.736 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.609 10.582 14.405 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.616 7.712 13.382 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.830 7.856 13.567 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.200 9.014 12.371 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.700 9.582 13.982 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.551 7.244 15.554 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.715 8.958 16.005 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.167 7.957 15.766 1.00 0.00 H new ATOM 105 N GLN A 107 -4.402 11.724 13.216 1.00 0.00 N ATOM 106 CA GLN A 107 -4.969 13.064 13.299 1.00 0.00 C ATOM 107 C GLN A 107 -6.416 13.021 13.776 1.00 0.00 C ATOM 108 O GLN A 107 -6.838 13.849 14.583 1.00 0.00 O ATOM 109 CB GLN A 107 -4.895 13.762 11.939 1.00 0.00 C ATOM 110 CG GLN A 107 -3.480 14.049 11.463 1.00 0.00 C ATOM 111 CD GLN A 107 -3.450 14.676 10.083 1.00 0.00 C ATOM 112 OE1 GLN A 107 -4.488 14.830 9.433 1.00 0.00 O ATOM 113 NE2 GLN A 107 -2.256 15.038 9.625 1.00 0.00 N ATOM 0 H GLN A 107 -4.221 11.401 12.265 1.00 0.00 H new ATOM 0 HA GLN A 107 -4.382 13.628 14.024 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.397 13.142 11.197 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.445 14.701 11.995 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.989 14.715 12.172 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.909 13.121 11.450 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.424 14.892 10.197 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.171 15.462 8.701 1.00 0.00 H new ATOM 122 N GLU A 108 -7.171 12.051 13.271 1.00 0.00 N ATOM 123 CA GLU A 108 -8.576 11.908 13.634 1.00 0.00 C ATOM 124 C GLU A 108 -8.731 11.562 15.109 1.00 0.00 C ATOM 125 O GLU A 108 -9.517 12.187 15.823 1.00 0.00 O ATOM 126 CB GLU A 108 -9.246 10.838 12.770 1.00 0.00 C ATOM 127 CG GLU A 108 -10.729 10.643 13.047 1.00 0.00 C ATOM 128 CD GLU A 108 -11.331 9.628 12.115 1.00 0.00 C ATOM 129 OE1 GLU A 108 -10.620 9.120 11.281 1.00 0.00 O ATOM 130 OE2 GLU A 108 -12.472 9.277 12.307 1.00 0.00 O ATOM 0 H GLU A 108 -6.833 11.352 12.609 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.066 12.865 13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.117 11.103 11.721 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.732 9.889 12.925 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.869 10.320 14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.250 11.594 12.937 1.00 0.00 H new ATOM 137 N TYR A 109 -7.980 10.565 15.561 1.00 0.00 N ATOM 138 CA TYR A 109 -8.034 10.134 16.952 1.00 0.00 C ATOM 139 C TYR A 109 -7.563 11.239 17.889 1.00 0.00 C ATOM 140 O TYR A 109 -8.100 11.407 18.984 1.00 0.00 O ATOM 141 CB TYR A 109 -7.187 8.876 17.156 1.00 0.00 C ATOM 142 CG TYR A 109 -7.714 7.658 16.431 1.00 0.00 C ATOM 143 CD1 TYR A 109 -8.997 7.642 15.905 1.00 0.00 C ATOM 144 CD2 TYR A 109 -6.925 6.528 16.274 1.00 0.00 C ATOM 145 CE1 TYR A 109 -9.484 6.531 15.243 1.00 0.00 C ATOM 146 CE2 TYR A 109 -7.402 5.412 15.613 1.00 0.00 C ATOM 147 CZ TYR A 109 -8.682 5.417 15.098 1.00 0.00 C ATOM 148 OH TYR A 109 -9.161 4.310 14.438 1.00 0.00 O ATOM 0 H TYR A 109 -7.325 10.039 14.983 1.00 0.00 H new ATOM 0 HA TYR A 109 -9.073 9.904 17.190 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.170 9.076 16.818 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.131 8.656 18.222 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -9.626 8.513 16.015 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.922 6.520 16.675 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -10.487 6.534 14.841 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -6.775 4.540 15.500 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.471 3.614 14.423 1.00 0.00 H new ATOM 158 N ALA A 110 -6.556 11.988 17.455 1.00 0.00 N ATOM 159 CA ALA A 110 -6.083 13.146 18.203 1.00 0.00 C ATOM 160 C ALA A 110 -7.209 14.145 18.440 1.00 0.00 C ATOM 161 O ALA A 110 -7.424 14.597 19.566 1.00 0.00 O ATOM 162 CB ALA A 110 -4.926 13.812 17.476 1.00 0.00 C ATOM 0 H ALA A 110 -6.050 11.813 16.587 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.732 12.798 19.174 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.585 14.675 18.048 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.107 13.101 17.368 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.256 14.138 16.490 1.00 0.00 H new ATOM 168 N GLN A 111 -7.925 14.486 17.376 1.00 0.00 N ATOM 169 CA GLN A 111 -9.033 15.429 17.467 1.00 0.00 C ATOM 170 C GLN A 111 -10.102 14.932 18.432 1.00 0.00 C ATOM 171 O GLN A 111 -10.706 15.717 19.163 1.00 0.00 O ATOM 172 CB GLN A 111 -9.653 15.665 16.086 1.00 0.00 C ATOM 173 CG GLN A 111 -8.794 16.499 15.153 1.00 0.00 C ATOM 174 CD GLN A 111 -9.400 16.627 13.768 1.00 0.00 C ATOM 175 OE1 GLN A 111 -10.439 16.027 13.472 1.00 0.00 O ATOM 176 NE2 GLN A 111 -8.752 17.406 12.909 1.00 0.00 N ATOM 0 H GLN A 111 -7.758 14.123 16.438 1.00 0.00 H new ATOM 0 HA GLN A 111 -8.635 16.370 17.847 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -9.847 14.700 15.618 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -10.617 16.158 16.212 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.658 17.493 15.580 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.805 16.048 15.074 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.897 17.882 13.197 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.109 17.528 11.961 1.00 0.00 H new ATOM 185 N LYS A 112 -10.330 13.623 18.431 1.00 0.00 N ATOM 186 CA LYS A 112 -11.305 13.014 19.327 1.00 0.00 C ATOM 187 C LYS A 112 -10.883 13.163 20.783 1.00 0.00 C ATOM 188 O LYS A 112 -11.714 13.105 21.690 1.00 0.00 O ATOM 189 CB LYS A 112 -11.501 11.537 18.984 1.00 0.00 C ATOM 190 CG LYS A 112 -12.215 11.287 17.662 1.00 0.00 C ATOM 191 CD LYS A 112 -12.327 9.799 17.366 1.00 0.00 C ATOM 192 CE LYS A 112 -13.084 9.546 16.071 1.00 0.00 C ATOM 193 NZ LYS A 112 -13.192 8.094 15.764 1.00 0.00 N ATOM 0 H LYS A 112 -9.852 12.963 17.818 1.00 0.00 H new ATOM 0 HA LYS A 112 -12.252 13.536 19.192 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.526 11.051 18.954 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -12.069 11.063 19.785 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -13.211 11.729 17.695 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -11.674 11.781 16.855 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -11.330 9.364 17.297 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -12.836 9.300 18.190 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -14.083 9.976 16.145 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.578 10.054 15.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -13.715 7.965 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -12.239 7.688 15.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -13.698 7.613 16.535 1.00 0.00 H new ATOM 207 N MET A 113 -9.587 13.354 21.002 1.00 0.00 N ATOM 208 CA MET A 113 -9.049 13.491 22.349 1.00 0.00 C ATOM 209 C MET A 113 -8.718 14.943 22.666 1.00 0.00 C ATOM 210 O MET A 113 -8.088 15.240 23.680 1.00 0.00 O ATOM 211 CB MET A 113 -7.806 12.618 22.512 1.00 0.00 C ATOM 212 CG MET A 113 -8.064 11.123 22.387 1.00 0.00 C ATOM 213 SD MET A 113 -6.626 10.129 22.832 1.00 0.00 S ATOM 214 CE MET A 113 -5.587 10.374 21.396 1.00 0.00 C ATOM 0 H MET A 113 -8.888 13.418 20.262 1.00 0.00 H new ATOM 0 HA MET A 113 -9.812 13.159 23.052 1.00 0.00 H new ATOM 0 HB2 MET A 113 -7.071 12.911 21.762 1.00 0.00 H new ATOM 0 HB3 MET A 113 -7.363 12.817 23.488 1.00 0.00 H new ATOM 0 HG2 MET A 113 -8.903 10.848 23.027 1.00 0.00 H new ATOM 0 HG3 MET A 113 -8.356 10.893 21.362 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.980 9.484 21.230 1.00 0.00 H new ATOM 0 HE2 MET A 113 -6.212 10.555 20.521 1.00 0.00 H new ATOM 0 HE3 MET A 113 -4.936 11.232 21.560 1.00 0.00 H new ATOM 224 N ASN A 114 -9.148 15.846 21.790 1.00 0.00 N ATOM 225 CA ASN A 114 -8.867 17.268 21.956 1.00 0.00 C ATOM 226 C ASN A 114 -7.369 17.535 21.982 1.00 0.00 C ATOM 227 O ASN A 114 -6.901 18.445 22.666 1.00 0.00 O ATOM 228 CB ASN A 114 -9.520 17.820 23.210 1.00 0.00 C ATOM 229 CG ASN A 114 -11.021 17.869 23.141 1.00 0.00 C ATOM 230 OD1 ASN A 114 -11.609 17.967 22.057 1.00 0.00 O ATOM 231 ND2 ASN A 114 -11.640 17.884 24.293 1.00 0.00 N ATOM 0 H ASN A 114 -9.692 15.618 20.958 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.294 17.782 21.095 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -9.225 17.208 24.062 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.141 18.825 23.393 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -12.655 17.980 24.325 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.108 17.800 25.159 1.00 0.00 H new ATOM 238 N TYR A 115 -6.617 16.735 21.231 1.00 0.00 N ATOM 239 CA TYR A 115 -5.165 16.863 21.191 1.00 0.00 C ATOM 240 C TYR A 115 -4.700 17.432 19.856 1.00 0.00 C ATOM 241 O TYR A 115 -5.221 17.073 18.802 1.00 0.00 O ATOM 242 CB TYR A 115 -4.501 15.508 21.444 1.00 0.00 C ATOM 243 CG TYR A 115 -2.992 15.534 21.335 1.00 0.00 C ATOM 244 CD1 TYR A 115 -2.210 16.019 22.374 1.00 0.00 C ATOM 245 CD2 TYR A 115 -2.354 15.074 20.193 1.00 0.00 C ATOM 246 CE1 TYR A 115 -0.833 16.046 22.280 1.00 0.00 C ATOM 247 CE2 TYR A 115 -0.977 15.095 20.087 1.00 0.00 C ATOM 248 CZ TYR A 115 -0.219 15.582 21.133 1.00 0.00 C ATOM 249 OH TYR A 115 1.152 15.605 21.033 1.00 0.00 O ATOM 0 H TYR A 115 -6.990 15.991 20.642 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.869 17.555 21.979 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.778 15.159 22.439 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.894 14.783 20.731 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -2.687 16.382 23.272 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -2.944 14.693 19.372 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.240 16.427 23.098 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -0.496 14.732 19.191 1.00 0.00 H new ATOM 0 HH TYR A 115 1.544 15.698 21.926 1.00 0.00 H new ATOM 259 N ALA A 116 -3.715 18.322 19.911 1.00 0.00 N ATOM 260 CA ALA A 116 -3.179 18.945 18.707 1.00 0.00 C ATOM 261 C ALA A 116 -2.854 17.904 17.644 1.00 0.00 C ATOM 262 O ALA A 116 -2.689 16.722 17.949 1.00 0.00 O ATOM 263 CB ALA A 116 -1.944 19.769 19.040 1.00 0.00 C ATOM 0 H ALA A 116 -3.272 18.628 20.777 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.944 19.608 18.303 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.556 20.227 18.130 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.208 20.548 19.755 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.181 19.122 19.474 1.00 0.00 H new ATOM 269 N ILE A 117 -2.763 18.348 16.396 1.00 0.00 N ATOM 270 CA ILE A 117 -2.453 17.455 15.286 1.00 0.00 C ATOM 271 C ILE A 117 -1.070 16.837 15.445 1.00 0.00 C ATOM 272 O ILE A 117 -0.063 17.545 15.488 1.00 0.00 O ATOM 273 CB ILE A 117 -2.523 18.187 13.934 1.00 0.00 C ATOM 274 CG1 ILE A 117 -3.941 18.711 13.683 1.00 0.00 C ATOM 275 CG2 ILE A 117 -2.086 17.267 12.805 1.00 0.00 C ATOM 276 CD1 ILE A 117 -4.995 17.629 13.660 1.00 0.00 C ATOM 0 H ILE A 117 -2.900 19.322 16.127 1.00 0.00 H new ATOM 0 HA ILE A 117 -3.205 16.666 15.301 1.00 0.00 H new ATOM 0 HB ILE A 117 -1.841 19.037 13.966 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -4.193 19.435 14.458 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.959 19.243 12.732 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -2.142 17.802 11.857 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -1.060 16.941 12.978 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -2.742 16.397 12.770 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.972 18.077 13.477 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.768 16.917 12.867 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.006 17.112 14.619 1.00 0.00 H new ATOM 288 N PRO A 118 -1.025 15.511 15.534 1.00 0.00 N ATOM 289 CA PRO A 118 0.220 14.803 15.798 1.00 0.00 C ATOM 290 C PRO A 118 1.278 15.139 14.754 1.00 0.00 C ATOM 291 O PRO A 118 1.014 15.095 13.553 1.00 0.00 O ATOM 292 CB PRO A 118 -0.177 13.318 15.761 1.00 0.00 C ATOM 293 CG PRO A 118 -1.637 13.298 16.122 1.00 0.00 C ATOM 294 CD PRO A 118 -2.139 14.595 15.256 1.00 0.00 C ATOM 0 HA PRO A 118 0.669 15.081 16.752 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.008 12.889 14.773 1.00 0.00 H new ATOM 0 HB3 PRO A 118 0.413 12.734 16.468 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.132 12.375 15.821 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.807 13.416 17.192 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.246 14.375 14.194 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.098 14.984 15.599 1.00 0.00 H new ATOM 302 N LEU A 119 2.475 15.475 15.222 1.00 0.00 N ATOM 303 CA LEU A 119 3.596 15.746 14.329 1.00 0.00 C ATOM 304 C LEU A 119 4.730 14.754 14.553 1.00 0.00 C ATOM 305 O LEU A 119 5.457 14.840 15.543 1.00 0.00 O ATOM 306 CB LEU A 119 4.097 17.183 14.528 1.00 0.00 C ATOM 307 CG LEU A 119 3.056 18.278 14.266 1.00 0.00 C ATOM 308 CD1 LEU A 119 3.647 19.646 14.579 1.00 0.00 C ATOM 309 CD2 LEU A 119 2.596 18.209 12.817 1.00 0.00 C ATOM 0 H LEU A 119 2.694 15.566 16.214 1.00 0.00 H new ATOM 0 HA LEU A 119 3.247 15.631 13.303 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.460 17.286 15.551 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.949 17.349 13.869 1.00 0.00 H new ATOM 0 HG LEU A 119 2.194 18.121 14.915 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.900 20.417 14.390 1.00 0.00 H new ATOM 0 HD12 LEU A 119 3.948 19.681 15.626 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.517 19.820 13.946 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.856 18.988 12.633 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.451 18.357 12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.151 17.233 12.622 1.00 0.00 H new ATOM 321 N TYR A 120 4.878 13.813 13.627 1.00 0.00 N ATOM 322 CA TYR A 120 5.889 12.769 13.749 1.00 0.00 C ATOM 323 C TYR A 120 7.254 13.267 13.291 1.00 0.00 C ATOM 324 O TYR A 120 7.351 14.118 12.407 1.00 0.00 O ATOM 325 CB TYR A 120 5.483 11.534 12.942 1.00 0.00 C ATOM 326 CG TYR A 120 5.427 11.769 11.449 1.00 0.00 C ATOM 327 CD1 TYR A 120 6.576 11.707 10.674 1.00 0.00 C ATOM 328 CD2 TYR A 120 4.224 12.048 10.819 1.00 0.00 C ATOM 329 CE1 TYR A 120 6.530 11.921 9.310 1.00 0.00 C ATOM 330 CE2 TYR A 120 4.166 12.263 9.456 1.00 0.00 C ATOM 331 CZ TYR A 120 5.322 12.199 8.704 1.00 0.00 C ATOM 332 OH TYR A 120 5.269 12.411 7.345 1.00 0.00 O ATOM 0 H TYR A 120 4.310 13.752 12.782 1.00 0.00 H new ATOM 0 HA TYR A 120 5.961 12.497 14.802 1.00 0.00 H new ATOM 0 HB2 TYR A 120 6.189 10.730 13.147 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.505 11.194 13.283 1.00 0.00 H new ATOM 0 HD1 TYR A 120 7.523 11.488 11.145 1.00 0.00 H new ATOM 0 HD2 TYR A 120 3.317 12.098 11.404 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.434 11.871 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 120 3.221 12.480 8.981 1.00 0.00 H new ATOM 0 HH TYR A 120 6.102 12.100 6.933 1.00 0.00 H new ATOM 342 N GLN A 121 8.308 12.733 13.899 1.00 0.00 N ATOM 343 CA GLN A 121 9.670 13.058 13.496 1.00 0.00 C ATOM 344 C GLN A 121 10.447 11.803 13.119 1.00 0.00 C ATOM 345 O GLN A 121 10.210 10.726 13.667 1.00 0.00 O ATOM 346 CB GLN A 121 10.400 13.798 14.621 1.00 0.00 C ATOM 347 CG GLN A 121 9.788 15.140 14.983 1.00 0.00 C ATOM 348 CD GLN A 121 10.548 15.843 16.091 1.00 0.00 C ATOM 349 OE1 GLN A 121 11.502 15.298 16.651 1.00 0.00 O ATOM 350 NE2 GLN A 121 10.126 17.060 16.416 1.00 0.00 N ATOM 0 H GLN A 121 8.244 12.072 14.674 1.00 0.00 H new ATOM 0 HA GLN A 121 9.611 13.704 12.620 1.00 0.00 H new ATOM 0 HB2 GLN A 121 10.412 13.166 15.509 1.00 0.00 H new ATOM 0 HB3 GLN A 121 11.438 13.952 14.326 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.768 15.777 14.099 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.753 14.993 15.293 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.332 17.472 15.926 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.596 17.582 17.156 1.00 0.00 H new ATOM 359 N CYS A 122 11.377 11.948 12.179 1.00 0.00 N ATOM 360 CA CYS A 122 12.130 10.811 11.665 1.00 0.00 C ATOM 361 C CYS A 122 13.626 11.001 11.875 1.00 0.00 C ATOM 362 O CYS A 122 14.105 12.128 12.015 1.00 0.00 O ATOM 363 CB CYS A 122 11.789 10.826 10.175 1.00 0.00 C ATOM 364 SG CYS A 122 10.027 10.646 9.807 1.00 0.00 S ATOM 0 H CYS A 122 11.626 12.843 11.758 1.00 0.00 H new ATOM 0 HA CYS A 122 11.881 9.873 12.161 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.144 11.762 9.743 1.00 0.00 H new ATOM 0 HB3 CYS A 122 12.334 10.021 9.682 1.00 0.00 H new ATOM 0 HG CYS A 122 9.481 9.850 10.678 1.00 0.00 H new ATOM 370 N GLN A 123 14.362 9.895 11.896 1.00 0.00 N ATOM 371 CA GLN A 123 15.806 9.938 12.092 1.00 0.00 C ATOM 372 C GLN A 123 16.507 8.875 11.256 1.00 0.00 C ATOM 373 O GLN A 123 16.059 7.729 11.190 1.00 0.00 O ATOM 374 CB GLN A 123 16.154 9.746 13.570 1.00 0.00 C ATOM 375 CG GLN A 123 17.635 9.863 13.881 1.00 0.00 C ATOM 376 CD GLN A 123 17.927 9.742 15.365 1.00 0.00 C ATOM 377 OE1 GLN A 123 17.012 9.613 16.183 1.00 0.00 O ATOM 378 NE2 GLN A 123 19.205 9.789 15.722 1.00 0.00 N ATOM 0 H GLN A 123 13.981 8.956 11.779 1.00 0.00 H new ATOM 0 HA GLN A 123 16.154 10.918 11.767 1.00 0.00 H new ATOM 0 HB2 GLN A 123 15.611 10.486 14.159 1.00 0.00 H new ATOM 0 HB3 GLN A 123 15.804 8.765 13.890 1.00 0.00 H new ATOM 0 HG2 GLN A 123 18.179 9.087 13.342 1.00 0.00 H new ATOM 0 HG3 GLN A 123 18.005 10.822 13.518 1.00 0.00 H new ATOM 0 HE21 GLN A 123 19.929 9.897 15.012 1.00 0.00 H new ATOM 0 HE22 GLN A 123 19.463 9.717 16.706 1.00 0.00 H new ATOM 387 N LYS A 124 17.607 9.260 10.619 1.00 0.00 N ATOM 388 CA LYS A 124 18.393 8.330 9.816 1.00 0.00 C ATOM 389 C LYS A 124 19.644 7.880 10.559 1.00 0.00 C ATOM 390 O LYS A 124 20.505 8.695 10.893 1.00 0.00 O ATOM 391 CB LYS A 124 18.775 8.967 8.479 1.00 0.00 C ATOM 392 CG LYS A 124 19.524 8.041 7.531 1.00 0.00 C ATOM 393 CD LYS A 124 19.943 8.768 6.263 1.00 0.00 C ATOM 394 CE LYS A 124 20.697 7.844 5.317 1.00 0.00 C ATOM 395 NZ LYS A 124 21.155 8.555 4.092 1.00 0.00 N ATOM 0 H LYS A 124 17.975 10.211 10.643 1.00 0.00 H new ATOM 0 HA LYS A 124 17.777 7.451 9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 124 17.868 9.316 7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 124 19.391 9.845 8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 124 20.406 7.641 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 124 18.891 7.192 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 124 19.061 9.164 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 124 20.573 9.620 6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 124 21.558 7.420 5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 124 20.053 7.011 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 21.664 7.890 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 20.332 8.938 3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 21.790 9.334 4.360 1.00 0.00 H new ATOM 409 N VAL A 125 19.739 6.580 10.813 1.00 0.00 N ATOM 410 CA VAL A 125 20.835 6.032 11.604 1.00 0.00 C ATOM 411 C VAL A 125 21.617 4.990 10.815 1.00 0.00 C ATOM 412 O VAL A 125 21.047 4.027 10.306 1.00 0.00 O ATOM 413 CB VAL A 125 20.326 5.397 12.912 1.00 0.00 C ATOM 414 CG1 VAL A 125 21.484 4.812 13.705 1.00 0.00 C ATOM 415 CG2 VAL A 125 19.574 6.423 13.746 1.00 0.00 C ATOM 0 H VAL A 125 19.070 5.885 10.482 1.00 0.00 H new ATOM 0 HA VAL A 125 21.493 6.866 11.849 1.00 0.00 H new ATOM 0 HB VAL A 125 19.639 4.590 12.658 1.00 0.00 H new ATOM 0 HG11 VAL A 125 21.107 4.368 14.626 1.00 0.00 H new ATOM 0 HG12 VAL A 125 21.982 4.046 13.110 1.00 0.00 H new ATOM 0 HG13 VAL A 125 22.194 5.602 13.948 1.00 0.00 H new ATOM 0 HG21 VAL A 125 19.222 5.956 14.666 1.00 0.00 H new ATOM 0 HG22 VAL A 125 20.239 7.251 13.991 1.00 0.00 H new ATOM 0 HG23 VAL A 125 18.721 6.798 13.180 1.00 0.00 H new ATOM 425 N GLU A 126 22.927 5.190 10.719 1.00 0.00 N ATOM 426 CA GLU A 126 23.808 4.207 10.099 1.00 0.00 C ATOM 427 C GLU A 126 24.559 3.400 11.150 1.00 0.00 C ATOM 428 O GLU A 126 24.995 3.940 12.167 1.00 0.00 O ATOM 429 CB GLU A 126 24.800 4.894 9.157 1.00 0.00 C ATOM 430 CG GLU A 126 24.158 5.564 7.950 1.00 0.00 C ATOM 431 CD GLU A 126 25.193 6.205 7.067 1.00 0.00 C ATOM 432 OE1 GLU A 126 26.345 6.194 7.430 1.00 0.00 O ATOM 433 OE2 GLU A 126 24.851 6.606 5.980 1.00 0.00 O ATOM 0 H GLU A 126 23.402 6.024 11.063 1.00 0.00 H new ATOM 0 HA GLU A 126 23.187 3.522 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 126 25.358 5.643 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 126 25.521 4.156 8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 126 23.595 4.826 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 126 23.446 6.318 8.286 1.00 0.00 H new ATOM 440 N THR A 127 24.706 2.103 10.899 1.00 0.00 N ATOM 441 CA THR A 127 25.368 1.211 11.843 1.00 0.00 C ATOM 442 C THR A 127 26.874 1.178 11.610 1.00 0.00 C ATOM 443 O THR A 127 27.375 1.771 10.655 1.00 0.00 O ATOM 444 CB THR A 127 24.814 -0.223 11.748 1.00 0.00 C ATOM 445 OG1 THR A 127 25.150 -0.786 10.473 1.00 0.00 O ATOM 446 CG2 THR A 127 23.302 -0.222 11.915 1.00 0.00 C ATOM 0 H THR A 127 24.375 1.646 10.049 1.00 0.00 H new ATOM 0 HA THR A 127 25.167 1.605 12.839 1.00 0.00 H new ATOM 0 HB THR A 127 25.258 -0.821 12.544 1.00 0.00 H new ATOM 0 HG1 THR A 127 25.094 -1.763 10.522 1.00 0.00 H new ATOM 0 HG21 THR A 127 22.928 -1.243 11.845 1.00 0.00 H new ATOM 0 HG22 THR A 127 23.044 0.193 12.889 1.00 0.00 H new ATOM 0 HG23 THR A 127 22.850 0.385 11.131 1.00 0.00 H new ATOM 454 N LEU A 128 27.588 0.483 12.488 1.00 0.00 N ATOM 455 CA LEU A 128 29.026 0.301 12.331 1.00 0.00 C ATOM 456 C LEU A 128 29.344 -0.570 11.123 1.00 0.00 C ATOM 457 O LEU A 128 30.466 -0.559 10.616 1.00 0.00 O ATOM 458 CB LEU A 128 29.624 -0.313 13.604 1.00 0.00 C ATOM 459 CG LEU A 128 29.569 0.582 14.848 1.00 0.00 C ATOM 460 CD1 LEU A 128 30.081 -0.180 16.062 1.00 0.00 C ATOM 461 CD2 LEU A 128 30.396 1.837 14.611 1.00 0.00 C ATOM 0 H LEU A 128 27.194 0.036 13.316 1.00 0.00 H new ATOM 0 HA LEU A 128 29.474 1.280 12.165 1.00 0.00 H new ATOM 0 HB2 LEU A 128 29.098 -1.243 13.821 1.00 0.00 H new ATOM 0 HB3 LEU A 128 30.664 -0.573 13.409 1.00 0.00 H new ATOM 0 HG LEU A 128 28.536 0.875 15.039 1.00 0.00 H new ATOM 0 HD11 LEU A 128 30.038 0.464 16.940 1.00 0.00 H new ATOM 0 HD12 LEU A 128 29.460 -1.061 16.227 1.00 0.00 H new ATOM 0 HD13 LEU A 128 31.112 -0.490 15.889 1.00 0.00 H new ATOM 0 HD21 LEU A 128 30.356 2.472 15.496 1.00 0.00 H new ATOM 0 HD22 LEU A 128 31.431 1.559 14.411 1.00 0.00 H new ATOM 0 HD23 LEU A 128 29.995 2.381 13.756 1.00 0.00 H new ATOM 473 N GLY A 129 28.350 -1.324 10.665 1.00 0.00 N ATOM 474 CA GLY A 129 28.497 -2.141 9.467 1.00 0.00 C ATOM 475 C GLY A 129 28.000 -1.401 8.232 1.00 0.00 C ATOM 476 O GLY A 129 27.744 -2.010 7.193 1.00 0.00 O ATOM 0 H GLY A 129 27.433 -1.386 11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 129 29.544 -2.412 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 129 27.940 -3.070 9.586 1.00 0.00 H new ATOM 480 N ARG A 130 27.865 -0.085 8.350 1.00 0.00 N ATOM 481 CA ARG A 130 27.431 0.745 7.232 1.00 0.00 C ATOM 482 C ARG A 130 26.063 0.312 6.723 1.00 0.00 C ATOM 483 O ARG A 130 25.821 0.275 5.516 1.00 0.00 O ATOM 484 CB ARG A 130 28.458 0.779 6.110 1.00 0.00 C ATOM 485 CG ARG A 130 29.830 1.295 6.515 1.00 0.00 C ATOM 486 CD ARG A 130 30.820 1.333 5.409 1.00 0.00 C ATOM 487 NE ARG A 130 30.567 2.358 4.408 1.00 0.00 N ATOM 488 CZ ARG A 130 30.938 3.648 4.523 1.00 0.00 C ATOM 489 NH1 ARG A 130 31.545 4.084 5.604 1.00 0.00 N ATOM 490 NH2 ARG A 130 30.656 4.470 3.527 1.00 0.00 N ATOM 0 H ARG A 130 28.050 0.431 9.210 1.00 0.00 H new ATOM 0 HA ARG A 130 27.340 1.765 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 130 28.569 -0.228 5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 130 28.074 1.404 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 130 29.721 2.299 6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 130 30.220 0.666 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 130 31.812 1.493 5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 130 30.835 0.360 4.918 1.00 0.00 H new ATOM 0 HE ARG A 130 30.074 2.080 3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 130 31.742 3.442 6.372 1.00 0.00 H new ATOM 0 HH12 ARG A 130 31.819 5.064 5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 130 30.170 4.122 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 130 30.924 5.452 3.585 1.00 0.00 H new ATOM 504 N VAL A 131 25.170 -0.020 7.649 1.00 0.00 N ATOM 505 CA VAL A 131 23.797 -0.369 7.301 1.00 0.00 C ATOM 506 C VAL A 131 22.845 0.784 7.593 1.00 0.00 C ATOM 507 O VAL A 131 22.751 1.254 8.728 1.00 0.00 O ATOM 508 CB VAL A 131 23.321 -1.620 8.062 1.00 0.00 C ATOM 509 CG1 VAL A 131 21.881 -1.947 7.700 1.00 0.00 C ATOM 510 CG2 VAL A 131 24.227 -2.804 7.761 1.00 0.00 C ATOM 0 H VAL A 131 25.373 -0.055 8.648 1.00 0.00 H new ATOM 0 HA VAL A 131 23.789 -0.581 6.232 1.00 0.00 H new ATOM 0 HB VAL A 131 23.370 -1.412 9.131 1.00 0.00 H new ATOM 0 HG11 VAL A 131 21.561 -2.834 8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.239 -1.106 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 131 21.809 -2.136 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.876 -3.679 8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.210 -3.013 6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 131 25.246 -2.570 8.068 1.00 0.00 H new ATOM 520 N THR A 132 22.140 1.237 6.562 1.00 0.00 N ATOM 521 CA THR A 132 21.226 2.367 6.696 1.00 0.00 C ATOM 522 C THR A 132 19.883 1.923 7.260 1.00 0.00 C ATOM 523 O THR A 132 19.176 1.121 6.650 1.00 0.00 O ATOM 524 CB THR A 132 20.997 3.071 5.346 1.00 0.00 C ATOM 525 OG1 THR A 132 22.247 3.556 4.838 1.00 0.00 O ATOM 526 CG2 THR A 132 20.034 4.236 5.510 1.00 0.00 C ATOM 0 H THR A 132 22.184 0.839 5.624 1.00 0.00 H new ATOM 0 HA THR A 132 21.693 3.069 7.387 1.00 0.00 H new ATOM 0 HB THR A 132 20.568 2.353 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 132 22.100 4.002 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 132 19.884 4.722 4.546 1.00 0.00 H new ATOM 0 HG22 THR A 132 19.078 3.868 5.884 1.00 0.00 H new ATOM 0 HG23 THR A 132 20.449 4.954 6.218 1.00 0.00 H new ATOM 534 N GLN A 133 19.535 2.451 8.429 1.00 0.00 N ATOM 535 CA GLN A 133 18.238 2.178 9.037 1.00 0.00 C ATOM 536 C GLN A 133 17.478 3.467 9.319 1.00 0.00 C ATOM 537 O GLN A 133 18.080 4.513 9.562 1.00 0.00 O ATOM 538 CB GLN A 133 18.413 1.388 10.337 1.00 0.00 C ATOM 539 CG GLN A 133 19.035 0.014 10.152 1.00 0.00 C ATOM 540 CD GLN A 133 19.166 -0.743 11.461 1.00 0.00 C ATOM 541 OE1 GLN A 133 18.906 -0.199 12.538 1.00 0.00 O ATOM 542 NE2 GLN A 133 19.575 -2.003 11.375 1.00 0.00 N ATOM 0 H GLN A 133 20.134 3.071 8.975 1.00 0.00 H new ATOM 0 HA GLN A 133 17.659 1.584 8.329 1.00 0.00 H new ATOM 0 HB2 GLN A 133 19.035 1.967 11.020 1.00 0.00 H new ATOM 0 HB3 GLN A 133 17.439 1.273 10.813 1.00 0.00 H new ATOM 0 HG2 GLN A 133 18.427 -0.567 9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 133 20.020 0.122 9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 133 19.779 -2.412 10.463 1.00 0.00 H new ATOM 0 HE22 GLN A 133 19.686 -2.562 12.221 1.00 0.00 H new ATOM 551 N PHE A 134 16.153 3.387 9.282 1.00 0.00 N ATOM 552 CA PHE A 134 15.308 4.550 9.531 1.00 0.00 C ATOM 553 C PHE A 134 14.415 4.331 10.745 1.00 0.00 C ATOM 554 O PHE A 134 13.866 3.246 10.937 1.00 0.00 O ATOM 555 CB PHE A 134 14.455 4.864 8.301 1.00 0.00 C ATOM 556 CG PHE A 134 15.247 5.362 7.125 1.00 0.00 C ATOM 557 CD1 PHE A 134 15.766 4.474 6.195 1.00 0.00 C ATOM 558 CD2 PHE A 134 15.476 6.719 6.948 1.00 0.00 C ATOM 559 CE1 PHE A 134 16.495 4.931 5.113 1.00 0.00 C ATOM 560 CE2 PHE A 134 16.203 7.178 5.867 1.00 0.00 C ATOM 561 CZ PHE A 134 16.713 6.282 4.949 1.00 0.00 C ATOM 0 H PHE A 134 15.640 2.529 9.082 1.00 0.00 H new ATOM 0 HA PHE A 134 15.960 5.399 9.736 1.00 0.00 H new ATOM 0 HB2 PHE A 134 13.913 3.965 8.008 1.00 0.00 H new ATOM 0 HB3 PHE A 134 13.710 5.613 8.569 1.00 0.00 H new ATOM 0 HD1 PHE A 134 15.599 3.414 6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 134 15.081 7.425 7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.894 4.229 4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 134 16.372 8.237 5.740 1.00 0.00 H new ATOM 0 HZ PHE A 134 17.282 6.639 4.103 1.00 0.00 H new ATOM 571 N THR A 135 14.273 5.369 11.564 1.00 0.00 N ATOM 572 CA THR A 135 13.360 5.329 12.700 1.00 0.00 C ATOM 573 C THR A 135 12.447 6.547 12.717 1.00 0.00 C ATOM 574 O THR A 135 12.728 7.554 12.068 1.00 0.00 O ATOM 575 CB THR A 135 14.124 5.255 14.036 1.00 0.00 C ATOM 576 OG1 THR A 135 14.916 6.438 14.202 1.00 0.00 O ATOM 577 CG2 THR A 135 15.032 4.035 14.064 1.00 0.00 C ATOM 0 H THR A 135 14.779 6.248 11.461 1.00 0.00 H new ATOM 0 HA THR A 135 12.757 4.428 12.586 1.00 0.00 H new ATOM 0 HB THR A 135 13.400 5.176 14.847 1.00 0.00 H new ATOM 0 HG1 THR A 135 15.400 6.391 15.053 1.00 0.00 H new ATOM 0 HG21 THR A 135 15.564 3.999 15.015 1.00 0.00 H new ATOM 0 HG22 THR A 135 14.432 3.132 13.949 1.00 0.00 H new ATOM 0 HG23 THR A 135 15.752 4.098 13.248 1.00 0.00 H new ATOM 585 N CYS A 136 11.351 6.449 13.462 1.00 0.00 N ATOM 586 CA CYS A 136 10.409 7.555 13.588 1.00 0.00 C ATOM 587 C CYS A 136 9.616 7.458 14.885 1.00 0.00 C ATOM 588 O CYS A 136 9.441 6.371 15.437 1.00 0.00 O ATOM 589 CB CYS A 136 9.491 7.355 12.381 1.00 0.00 C ATOM 590 SG CYS A 136 8.354 8.726 12.070 1.00 0.00 S ATOM 0 H CYS A 136 11.093 5.614 13.988 1.00 0.00 H new ATOM 0 HA CYS A 136 10.895 8.530 13.613 1.00 0.00 H new ATOM 0 HB2 CYS A 136 10.106 7.201 11.494 1.00 0.00 H new ATOM 0 HB3 CYS A 136 8.911 6.444 12.529 1.00 0.00 H new ATOM 0 HG CYS A 136 8.818 9.808 12.622 1.00 0.00 H new ATOM 596 N THR A 137 9.139 8.600 15.367 1.00 0.00 N ATOM 597 CA THR A 137 8.313 8.638 16.568 1.00 0.00 C ATOM 598 C THR A 137 7.252 9.729 16.472 1.00 0.00 C ATOM 599 O THR A 137 7.458 10.753 15.821 1.00 0.00 O ATOM 600 CB THR A 137 9.162 8.872 17.831 1.00 0.00 C ATOM 601 OG1 THR A 137 8.330 8.772 18.995 1.00 0.00 O ATOM 602 CG2 THR A 137 9.810 10.247 17.791 1.00 0.00 C ATOM 0 H THR A 137 9.310 9.512 14.944 1.00 0.00 H new ATOM 0 HA THR A 137 7.825 7.666 16.645 1.00 0.00 H new ATOM 0 HB THR A 137 9.945 8.114 17.870 1.00 0.00 H new ATOM 0 HG1 THR A 137 7.533 8.242 18.783 1.00 0.00 H new ATOM 0 HG21 THR A 137 10.406 10.395 18.692 1.00 0.00 H new ATOM 0 HG22 THR A 137 10.453 10.321 16.914 1.00 0.00 H new ATOM 0 HG23 THR A 137 9.036 11.013 17.739 1.00 0.00 H new ATOM 610 N VAL A 138 6.118 9.502 17.126 1.00 0.00 N ATOM 611 CA VAL A 138 4.998 10.434 17.062 1.00 0.00 C ATOM 612 C VAL A 138 4.289 10.536 18.406 1.00 0.00 C ATOM 613 O VAL A 138 4.022 9.527 19.057 1.00 0.00 O ATOM 614 CB VAL A 138 3.979 10.018 15.985 1.00 0.00 C ATOM 615 CG1 VAL A 138 3.400 8.646 16.300 1.00 0.00 C ATOM 616 CG2 VAL A 138 2.868 11.051 15.876 1.00 0.00 C ATOM 0 H VAL A 138 5.950 8.680 17.707 1.00 0.00 H new ATOM 0 HA VAL A 138 5.413 11.407 16.800 1.00 0.00 H new ATOM 0 HB VAL A 138 4.495 9.963 15.026 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.682 8.368 15.528 1.00 0.00 H new ATOM 0 HG12 VAL A 138 4.204 7.910 16.330 1.00 0.00 H new ATOM 0 HG13 VAL A 138 2.899 8.676 17.268 1.00 0.00 H new ATOM 0 HG21 VAL A 138 2.157 10.741 15.110 1.00 0.00 H new ATOM 0 HG22 VAL A 138 2.355 11.136 16.834 1.00 0.00 H new ATOM 0 HG23 VAL A 138 3.295 12.017 15.605 1.00 0.00 H new ATOM 626 N GLU A 139 3.986 11.764 18.817 1.00 0.00 N ATOM 627 CA GLU A 139 3.270 11.998 20.065 1.00 0.00 C ATOM 628 C GLU A 139 1.775 12.155 19.821 1.00 0.00 C ATOM 629 O GLU A 139 1.349 13.015 19.050 1.00 0.00 O ATOM 630 CB GLU A 139 3.820 13.238 20.773 1.00 0.00 C ATOM 631 CG GLU A 139 3.202 13.509 22.138 1.00 0.00 C ATOM 632 CD GLU A 139 3.806 14.727 22.779 1.00 0.00 C ATOM 633 OE1 GLU A 139 4.997 14.740 22.981 1.00 0.00 O ATOM 634 OE2 GLU A 139 3.099 15.689 22.965 1.00 0.00 O ATOM 0 H GLU A 139 4.226 12.612 18.303 1.00 0.00 H new ATOM 0 HA GLU A 139 3.421 11.128 20.704 1.00 0.00 H new ATOM 0 HB2 GLU A 139 4.898 13.126 20.891 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.658 14.107 20.135 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.126 13.647 22.031 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.350 12.644 22.785 1.00 0.00 H new ATOM 641 N ILE A 140 0.983 11.319 20.482 1.00 0.00 N ATOM 642 CA ILE A 140 -0.471 11.403 20.386 1.00 0.00 C ATOM 643 C ILE A 140 -1.124 11.219 21.749 1.00 0.00 C ATOM 644 O ILE A 140 -0.785 10.299 22.492 1.00 0.00 O ATOM 645 CB ILE A 140 -1.033 10.352 19.411 1.00 0.00 C ATOM 646 CG1 ILE A 140 -2.546 10.530 19.250 1.00 0.00 C ATOM 647 CG2 ILE A 140 -0.709 8.948 19.897 1.00 0.00 C ATOM 648 CD1 ILE A 140 -3.134 9.747 18.098 1.00 0.00 C ATOM 0 H ILE A 140 1.323 10.574 21.091 1.00 0.00 H new ATOM 0 HA ILE A 140 -0.705 12.398 20.007 1.00 0.00 H new ATOM 0 HB ILE A 140 -0.563 10.495 18.438 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -3.038 10.225 20.173 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -2.765 11.588 19.107 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -1.114 8.218 19.196 1.00 0.00 H new ATOM 0 HG22 ILE A 140 0.372 8.827 19.964 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -1.153 8.792 20.880 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -4.208 9.924 18.049 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -2.670 10.068 17.165 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -2.948 8.684 18.248 1.00 0.00 H new ATOM 660 N GLY A 141 -2.064 12.102 22.072 1.00 0.00 N ATOM 661 CA GLY A 141 -2.728 12.074 23.370 1.00 0.00 C ATOM 662 C GLY A 141 -1.791 12.541 24.478 1.00 0.00 C ATOM 663 O GLY A 141 -2.068 12.342 25.661 1.00 0.00 O ATOM 0 H GLY A 141 -2.383 12.846 21.452 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.611 12.712 23.344 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -3.072 11.062 23.584 1.00 0.00 H new ATOM 667 N GLY A 142 -0.684 13.162 24.087 1.00 0.00 N ATOM 668 CA GLY A 142 0.312 13.626 25.044 1.00 0.00 C ATOM 669 C GLY A 142 1.366 12.557 25.305 1.00 0.00 C ATOM 670 O GLY A 142 2.288 12.760 26.096 1.00 0.00 O ATOM 0 H GLY A 142 -0.454 13.356 23.112 1.00 0.00 H new ATOM 0 HA2 GLY A 142 0.792 14.528 24.665 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.177 13.894 25.980 1.00 0.00 H new ATOM 674 N ILE A 143 1.225 11.418 24.635 1.00 0.00 N ATOM 675 CA ILE A 143 2.118 10.287 24.850 1.00 0.00 C ATOM 676 C ILE A 143 2.927 9.977 23.597 1.00 0.00 C ATOM 677 O ILE A 143 2.370 9.821 22.510 1.00 0.00 O ATOM 678 CB ILE A 143 1.343 9.027 25.274 1.00 0.00 C ATOM 679 CG1 ILE A 143 0.558 9.290 26.562 1.00 0.00 C ATOM 680 CG2 ILE A 143 2.293 7.853 25.458 1.00 0.00 C ATOM 681 CD1 ILE A 143 -0.419 8.193 26.917 1.00 0.00 C ATOM 0 H ILE A 143 0.499 11.254 23.937 1.00 0.00 H new ATOM 0 HA ILE A 143 2.796 10.572 25.654 1.00 0.00 H new ATOM 0 HB ILE A 143 0.635 8.775 24.484 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.261 9.418 27.385 1.00 0.00 H new ATOM 0 HG13 ILE A 143 0.014 10.229 26.459 1.00 0.00 H new ATOM 0 HG21 ILE A 143 1.727 6.971 25.758 1.00 0.00 H new ATOM 0 HG22 ILE A 143 2.809 7.652 24.519 1.00 0.00 H new ATOM 0 HG23 ILE A 143 3.025 8.094 26.229 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -0.936 8.452 27.841 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -1.146 8.079 26.113 1.00 0.00 H new ATOM 0 HD13 ILE A 143 0.120 7.256 27.053 1.00 0.00 H new ATOM 693 N LYS A 144 4.243 9.888 23.755 1.00 0.00 N ATOM 694 CA LYS A 144 5.132 9.604 22.634 1.00 0.00 C ATOM 695 C LYS A 144 5.200 8.109 22.350 1.00 0.00 C ATOM 696 O LYS A 144 5.454 7.308 23.250 1.00 0.00 O ATOM 697 CB LYS A 144 6.533 10.150 22.910 1.00 0.00 C ATOM 698 CG LYS A 144 6.616 11.670 22.964 1.00 0.00 C ATOM 699 CD LYS A 144 8.037 12.136 23.245 1.00 0.00 C ATOM 700 CE LYS A 144 8.119 13.654 23.315 1.00 0.00 C ATOM 701 NZ LYS A 144 9.502 14.125 23.594 1.00 0.00 N ATOM 0 H LYS A 144 4.718 10.009 24.649 1.00 0.00 H new ATOM 0 HA LYS A 144 4.726 10.100 21.753 1.00 0.00 H new ATOM 0 HB2 LYS A 144 6.887 9.745 23.858 1.00 0.00 H new ATOM 0 HB3 LYS A 144 7.210 9.788 22.136 1.00 0.00 H new ATOM 0 HG2 LYS A 144 6.274 12.089 22.018 1.00 0.00 H new ATOM 0 HG3 LYS A 144 5.948 12.046 23.739 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.383 11.708 24.186 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.703 11.770 22.464 1.00 0.00 H new ATOM 0 HE2 LYS A 144 7.774 14.080 22.373 1.00 0.00 H new ATOM 0 HE3 LYS A 144 7.448 14.018 24.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 9.513 15.164 23.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 9.822 13.740 24.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.138 13.800 22.838 1.00 0.00 H new ATOM 715 N TYR A 145 4.969 7.739 21.095 1.00 0.00 N ATOM 716 CA TYR A 145 5.124 6.355 20.664 1.00 0.00 C ATOM 717 C TYR A 145 6.169 6.236 19.561 1.00 0.00 C ATOM 718 O TYR A 145 6.088 6.918 18.540 1.00 0.00 O ATOM 719 CB TYR A 145 3.786 5.791 20.182 1.00 0.00 C ATOM 720 CG TYR A 145 2.739 5.685 21.268 1.00 0.00 C ATOM 721 CD1 TYR A 145 2.628 4.539 22.040 1.00 0.00 C ATOM 722 CD2 TYR A 145 1.863 6.732 21.518 1.00 0.00 C ATOM 723 CE1 TYR A 145 1.673 4.436 23.032 1.00 0.00 C ATOM 724 CE2 TYR A 145 0.905 6.641 22.509 1.00 0.00 C ATOM 725 CZ TYR A 145 0.813 5.490 23.265 1.00 0.00 C ATOM 726 OH TYR A 145 -0.140 5.392 24.252 1.00 0.00 O ATOM 0 H TYR A 145 4.673 8.379 20.358 1.00 0.00 H new ATOM 0 HA TYR A 145 5.465 5.775 21.522 1.00 0.00 H new ATOM 0 HB2 TYR A 145 3.403 6.425 19.382 1.00 0.00 H new ATOM 0 HB3 TYR A 145 3.953 4.803 19.754 1.00 0.00 H new ATOM 0 HD1 TYR A 145 3.300 3.712 21.863 1.00 0.00 H new ATOM 0 HD2 TYR A 145 1.932 7.634 20.927 1.00 0.00 H new ATOM 0 HE1 TYR A 145 1.599 3.535 23.623 1.00 0.00 H new ATOM 0 HE2 TYR A 145 0.232 7.466 22.691 1.00 0.00 H new ATOM 0 HH TYR A 145 -0.662 6.221 24.286 1.00 0.00 H new ATOM 736 N THR A 146 7.150 5.365 19.774 1.00 0.00 N ATOM 737 CA THR A 146 8.256 5.213 18.837 1.00 0.00 C ATOM 738 C THR A 146 8.158 3.896 18.076 1.00 0.00 C ATOM 739 O THR A 146 7.901 2.846 18.666 1.00 0.00 O ATOM 740 CB THR A 146 9.617 5.279 19.554 1.00 0.00 C ATOM 741 OG1 THR A 146 9.723 6.515 20.272 1.00 0.00 O ATOM 742 CG2 THR A 146 10.755 5.183 18.548 1.00 0.00 C ATOM 0 H THR A 146 7.201 4.753 20.589 1.00 0.00 H new ATOM 0 HA THR A 146 8.186 6.042 18.133 1.00 0.00 H new ATOM 0 HB THR A 146 9.686 4.441 20.247 1.00 0.00 H new ATOM 0 HG1 THR A 146 9.161 7.193 19.841 1.00 0.00 H new ATOM 0 HG21 THR A 146 11.709 5.231 19.072 1.00 0.00 H new ATOM 0 HG22 THR A 146 10.685 4.239 18.008 1.00 0.00 H new ATOM 0 HG23 THR A 146 10.687 6.010 17.842 1.00 0.00 H new ATOM 750 N GLY A 147 8.363 3.959 16.766 1.00 0.00 N ATOM 751 CA GLY A 147 8.249 2.780 15.916 1.00 0.00 C ATOM 752 C GLY A 147 9.570 2.026 15.838 1.00 0.00 C ATOM 753 O GLY A 147 10.599 2.507 16.314 1.00 0.00 O ATOM 0 H GLY A 147 8.609 4.815 16.269 1.00 0.00 H new ATOM 0 HA2 GLY A 147 7.474 2.121 16.307 1.00 0.00 H new ATOM 0 HA3 GLY A 147 7.939 3.079 14.915 1.00 0.00 H new ATOM 757 N ALA A 148 9.536 0.843 15.236 1.00 0.00 N ATOM 758 CA ALA A 148 10.729 0.017 15.101 1.00 0.00 C ATOM 759 C ALA A 148 11.595 0.484 13.938 1.00 0.00 C ATOM 760 O ALA A 148 11.101 1.092 12.989 1.00 0.00 O ATOM 761 CB ALA A 148 10.347 -1.444 14.926 1.00 0.00 C ATOM 0 H ALA A 148 8.693 0.434 14.833 1.00 0.00 H new ATOM 0 HA ALA A 148 11.313 0.119 16.016 1.00 0.00 H new ATOM 0 HB1 ALA A 148 11.250 -2.047 14.827 1.00 0.00 H new ATOM 0 HB2 ALA A 148 9.781 -1.779 15.795 1.00 0.00 H new ATOM 0 HB3 ALA A 148 9.736 -1.556 14.030 1.00 0.00 H new ATOM 767 N ALA A 149 12.891 0.198 14.019 1.00 0.00 N ATOM 768 CA ALA A 149 13.813 0.513 12.936 1.00 0.00 C ATOM 769 C ALA A 149 13.503 -0.308 11.691 1.00 0.00 C ATOM 770 O ALA A 149 13.307 -1.521 11.769 1.00 0.00 O ATOM 771 CB ALA A 149 15.250 0.286 13.379 1.00 0.00 C ATOM 0 H ALA A 149 13.326 -0.252 14.825 1.00 0.00 H new ATOM 0 HA ALA A 149 13.687 1.566 12.683 1.00 0.00 H new ATOM 0 HB1 ALA A 149 15.926 0.526 12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 149 15.473 0.927 14.232 1.00 0.00 H new ATOM 0 HB3 ALA A 149 15.382 -0.758 13.665 1.00 0.00 H new ATOM 777 N THR A 150 13.462 0.359 10.543 1.00 0.00 N ATOM 778 CA THR A 150 13.148 -0.303 9.282 1.00 0.00 C ATOM 779 C THR A 150 14.171 0.044 8.209 1.00 0.00 C ATOM 780 O THR A 150 15.071 0.853 8.433 1.00 0.00 O ATOM 781 CB THR A 150 11.743 0.076 8.780 1.00 0.00 C ATOM 782 OG1 THR A 150 11.701 1.477 8.480 1.00 0.00 O ATOM 783 CG2 THR A 150 10.694 -0.243 9.835 1.00 0.00 C ATOM 0 H THR A 150 13.643 1.359 10.460 1.00 0.00 H new ATOM 0 HA THR A 150 13.177 -1.376 9.474 1.00 0.00 H new ATOM 0 HB THR A 150 11.528 -0.502 7.882 1.00 0.00 H new ATOM 0 HG1 THR A 150 11.898 1.614 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 150 9.707 0.032 9.462 1.00 0.00 H new ATOM 0 HG22 THR A 150 10.714 -1.310 10.057 1.00 0.00 H new ATOM 0 HG23 THR A 150 10.908 0.320 10.743 1.00 0.00 H new ATOM 791 N ARG A 151 14.027 -0.574 7.040 1.00 0.00 N ATOM 792 CA ARG A 151 14.971 -0.376 5.948 1.00 0.00 C ATOM 793 C ARG A 151 14.687 0.923 5.204 1.00 0.00 C ATOM 794 O ARG A 151 15.582 1.510 4.595 1.00 0.00 O ATOM 795 CB ARG A 151 15.010 -1.565 4.999 1.00 0.00 C ATOM 796 CG ARG A 151 15.624 -2.827 5.581 1.00 0.00 C ATOM 797 CD ARG A 151 15.653 -3.981 4.647 1.00 0.00 C ATOM 798 NE ARG A 151 16.250 -5.188 5.197 1.00 0.00 N ATOM 799 CZ ARG A 151 16.219 -6.397 4.602 1.00 0.00 C ATOM 800 NH1 ARG A 151 15.591 -6.573 3.461 1.00 0.00 N ATOM 801 NH2 ARG A 151 16.816 -7.407 5.210 1.00 0.00 N ATOM 0 H ARG A 151 13.264 -1.216 6.826 1.00 0.00 H new ATOM 0 HA ARG A 151 15.963 -0.297 6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 151 13.993 -1.788 4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 151 15.571 -1.282 4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 151 16.643 -2.607 5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 151 15.065 -3.111 6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 151 14.633 -4.205 4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 151 16.204 -3.694 3.752 1.00 0.00 H new ATOM 0 HE ARG A 151 16.726 -5.114 6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 151 15.118 -5.788 3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 151 15.577 -7.494 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 151 17.283 -7.260 6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 151 16.810 -8.334 4.785 1.00 0.00 H new ATOM 815 N THR A 152 13.436 1.367 5.256 1.00 0.00 N ATOM 816 CA THR A 152 13.015 2.556 4.526 1.00 0.00 C ATOM 817 C THR A 152 12.344 3.563 5.450 1.00 0.00 C ATOM 818 O THR A 152 11.853 3.206 6.522 1.00 0.00 O ATOM 819 CB THR A 152 12.047 2.202 3.382 1.00 0.00 C ATOM 820 OG1 THR A 152 10.842 1.647 3.926 1.00 0.00 O ATOM 821 CG2 THR A 152 12.682 1.193 2.437 1.00 0.00 C ATOM 0 H THR A 152 12.695 0.920 5.797 1.00 0.00 H new ATOM 0 HA THR A 152 13.917 3.000 4.104 1.00 0.00 H new ATOM 0 HB THR A 152 11.819 3.112 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 152 10.927 0.672 3.982 1.00 0.00 H new ATOM 0 HG21 THR A 152 11.983 0.955 1.635 1.00 0.00 H new ATOM 0 HG22 THR A 152 13.592 1.616 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 152 12.927 0.284 2.986 1.00 0.00 H new ATOM 829 N LYS A 153 12.324 4.824 5.032 1.00 0.00 N ATOM 830 CA LYS A 153 11.709 5.884 5.819 1.00 0.00 C ATOM 831 C LYS A 153 10.201 5.688 5.924 1.00 0.00 C ATOM 832 O LYS A 153 9.603 5.951 6.967 1.00 0.00 O ATOM 833 CB LYS A 153 12.019 7.252 5.211 1.00 0.00 C ATOM 834 CG LYS A 153 11.470 8.432 6.004 1.00 0.00 C ATOM 835 CD LYS A 153 11.892 9.758 5.387 1.00 0.00 C ATOM 836 CE LYS A 153 11.325 10.937 6.164 1.00 0.00 C ATOM 837 NZ LYS A 153 11.712 12.239 5.559 1.00 0.00 N ATOM 0 H LYS A 153 12.728 5.137 4.149 1.00 0.00 H new ATOM 0 HA LYS A 153 12.130 5.840 6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 153 13.100 7.360 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 153 11.612 7.288 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.382 8.375 6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.825 8.378 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 153 12.980 9.822 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 153 11.552 9.804 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 153 10.238 10.861 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 153 11.679 10.896 7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 11.306 13.016 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 12.749 12.324 5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 11.353 12.289 4.584 1.00 0.00 H new ATOM 851 N LYS A 154 9.594 5.224 4.838 1.00 0.00 N ATOM 852 CA LYS A 154 8.152 5.003 4.802 1.00 0.00 C ATOM 853 C LYS A 154 7.736 3.926 5.796 1.00 0.00 C ATOM 854 O LYS A 154 6.736 4.072 6.500 1.00 0.00 O ATOM 855 CB LYS A 154 7.704 4.618 3.391 1.00 0.00 C ATOM 856 CG LYS A 154 7.934 5.698 2.343 1.00 0.00 C ATOM 857 CD LYS A 154 7.686 5.168 0.938 1.00 0.00 C ATOM 858 CE LYS A 154 7.943 6.238 -0.113 1.00 0.00 C ATOM 859 NZ LYS A 154 7.733 5.726 -1.493 1.00 0.00 N ATOM 0 H LYS A 154 10.078 4.993 3.970 1.00 0.00 H new ATOM 0 HA LYS A 154 7.664 5.936 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 154 8.235 3.715 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 154 6.643 4.371 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 154 7.273 6.543 2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 154 8.956 6.069 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 154 8.332 4.310 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 154 6.658 4.816 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.281 7.086 0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 154 8.965 6.605 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 7.919 6.487 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 8.382 4.933 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 6.751 5.399 -1.596 1.00 0.00 H new ATOM 873 N ASP A 155 8.506 2.845 5.847 1.00 0.00 N ATOM 874 CA ASP A 155 8.244 1.761 6.786 1.00 0.00 C ATOM 875 C ASP A 155 8.425 2.225 8.226 1.00 0.00 C ATOM 876 O ASP A 155 7.662 1.842 9.113 1.00 0.00 O ATOM 877 CB ASP A 155 9.158 0.568 6.499 1.00 0.00 C ATOM 878 CG ASP A 155 8.789 -0.221 5.249 1.00 0.00 C ATOM 879 OD1 ASP A 155 7.712 -0.018 4.739 1.00 0.00 O ATOM 880 OD2 ASP A 155 9.639 -0.899 4.727 1.00 0.00 O ATOM 0 H ASP A 155 9.318 2.696 5.248 1.00 0.00 H new ATOM 0 HA ASP A 155 7.207 1.451 6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 155 10.182 0.927 6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 155 9.138 -0.104 7.357 1.00 0.00 H new ATOM 885 N ALA A 156 9.442 3.050 8.454 1.00 0.00 N ATOM 886 CA ALA A 156 9.672 3.639 9.766 1.00 0.00 C ATOM 887 C ALA A 156 8.454 4.424 10.238 1.00 0.00 C ATOM 888 O ALA A 156 8.032 4.301 11.388 1.00 0.00 O ATOM 889 CB ALA A 156 10.902 4.532 9.740 1.00 0.00 C ATOM 0 H ALA A 156 10.121 3.326 7.744 1.00 0.00 H new ATOM 0 HA ALA A 156 9.844 2.827 10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 156 11.059 4.964 10.728 1.00 0.00 H new ATOM 0 HB2 ALA A 156 11.774 3.942 9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 156 10.756 5.332 9.014 1.00 0.00 H new ATOM 895 N GLU A 157 7.893 5.231 9.343 1.00 0.00 N ATOM 896 CA GLU A 157 6.778 6.103 9.692 1.00 0.00 C ATOM 897 C GLU A 157 5.537 5.293 10.045 1.00 0.00 C ATOM 898 O GLU A 157 4.922 5.507 11.090 1.00 0.00 O ATOM 899 CB GLU A 157 6.469 7.062 8.541 1.00 0.00 C ATOM 900 CG GLU A 157 7.517 8.146 8.327 1.00 0.00 C ATOM 901 CD GLU A 157 7.351 8.810 6.989 1.00 0.00 C ATOM 902 OE1 GLU A 157 6.490 8.404 6.247 1.00 0.00 O ATOM 903 OE2 GLU A 157 8.009 9.796 6.752 1.00 0.00 O ATOM 0 H GLU A 157 8.193 5.299 8.370 1.00 0.00 H new ATOM 0 HA GLU A 157 7.068 6.683 10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 157 6.367 6.486 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 157 5.506 7.537 8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 157 7.438 8.892 9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 157 8.514 7.710 8.398 1.00 0.00 H new ATOM 910 N ILE A 158 5.172 4.365 9.168 1.00 0.00 N ATOM 911 CA ILE A 158 3.977 3.553 9.364 1.00 0.00 C ATOM 912 C ILE A 158 4.121 2.640 10.576 1.00 0.00 C ATOM 913 O ILE A 158 3.131 2.244 11.187 1.00 0.00 O ATOM 914 CB ILE A 158 3.665 2.697 8.123 1.00 0.00 C ATOM 915 CG1 ILE A 158 2.273 2.073 8.240 1.00 0.00 C ATOM 916 CG2 ILE A 158 4.722 1.618 7.942 1.00 0.00 C ATOM 917 CD1 ILE A 158 1.830 1.328 7.001 1.00 0.00 C ATOM 0 H ILE A 158 5.687 4.156 8.313 1.00 0.00 H new ATOM 0 HA ILE A 158 3.153 4.246 9.532 1.00 0.00 H new ATOM 0 HB ILE A 158 3.679 3.342 7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 158 2.263 1.388 9.087 1.00 0.00 H new ATOM 0 HG13 ILE A 158 1.550 2.859 8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 158 4.486 1.022 7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 158 5.699 2.084 7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.739 0.974 8.821 1.00 0.00 H new ATOM 0 HD11 ILE A 158 0.834 0.915 7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.806 2.013 6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.530 0.519 6.793 1.00 0.00 H new ATOM 929 N SER A 159 5.363 2.313 10.916 1.00 0.00 N ATOM 930 CA SER A 159 5.648 1.535 12.116 1.00 0.00 C ATOM 931 C SER A 159 5.322 2.326 13.377 1.00 0.00 C ATOM 932 O SER A 159 4.630 1.837 14.267 1.00 0.00 O ATOM 933 CB SER A 159 7.101 1.102 12.125 1.00 0.00 C ATOM 934 OG SER A 159 7.424 0.367 13.274 1.00 0.00 O ATOM 0 H SER A 159 6.189 2.575 10.377 1.00 0.00 H new ATOM 0 HA SER A 159 5.014 0.649 12.104 1.00 0.00 H new ATOM 0 HB2 SER A 159 7.305 0.499 11.240 1.00 0.00 H new ATOM 0 HB3 SER A 159 7.742 1.982 12.066 1.00 0.00 H new ATOM 0 HG SER A 159 8.136 -0.273 13.064 1.00 0.00 H new ATOM 940 N ALA A 160 5.827 3.555 13.444 1.00 0.00 N ATOM 941 CA ALA A 160 5.527 4.445 14.559 1.00 0.00 C ATOM 942 C ALA A 160 4.038 4.760 14.627 1.00 0.00 C ATOM 943 O ALA A 160 3.459 4.843 15.710 1.00 0.00 O ATOM 944 CB ALA A 160 6.337 5.727 14.446 1.00 0.00 C ATOM 0 H ALA A 160 6.446 3.956 12.739 1.00 0.00 H new ATOM 0 HA ALA A 160 5.804 3.935 15.481 1.00 0.00 H new ATOM 0 HB1 ALA A 160 6.102 6.381 15.286 1.00 0.00 H new ATOM 0 HB2 ALA A 160 7.400 5.488 14.459 1.00 0.00 H new ATOM 0 HB3 ALA A 160 6.090 6.232 13.512 1.00 0.00 H new ATOM 950 N GLY A 161 3.421 4.933 13.462 1.00 0.00 N ATOM 951 CA GLY A 161 1.996 5.232 13.387 1.00 0.00 C ATOM 952 C GLY A 161 1.165 4.104 13.987 1.00 0.00 C ATOM 953 O GLY A 161 0.271 4.345 14.799 1.00 0.00 O ATOM 0 H GLY A 161 3.887 4.871 12.557 1.00 0.00 H new ATOM 0 HA2 GLY A 161 1.788 6.162 13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 161 1.708 5.386 12.347 1.00 0.00 H new ATOM 957 N ARG A 162 1.465 2.875 13.581 1.00 0.00 N ATOM 958 CA ARG A 162 0.748 1.708 14.082 1.00 0.00 C ATOM 959 C ARG A 162 0.955 1.537 15.582 1.00 0.00 C ATOM 960 O ARG A 162 0.031 1.170 16.307 1.00 0.00 O ATOM 961 CB ARG A 162 1.113 0.442 13.322 1.00 0.00 C ATOM 962 CG ARG A 162 0.525 0.344 11.923 1.00 0.00 C ATOM 963 CD ARG A 162 0.956 -0.855 11.160 1.00 0.00 C ATOM 964 NE ARG A 162 0.365 -0.971 9.836 1.00 0.00 N ATOM 965 CZ ARG A 162 0.659 -1.942 8.950 1.00 0.00 C ATOM 966 NH1 ARG A 162 1.560 -2.859 9.224 1.00 0.00 N ATOM 967 NH2 ARG A 162 0.035 -1.933 7.785 1.00 0.00 N ATOM 0 H ARG A 162 2.200 2.661 12.906 1.00 0.00 H new ATOM 0 HA ARG A 162 -0.314 1.885 13.909 1.00 0.00 H new ATOM 0 HB2 ARG A 162 2.199 0.379 13.249 1.00 0.00 H new ATOM 0 HB3 ARG A 162 0.782 -0.420 13.901 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.562 0.340 11.998 1.00 0.00 H new ATOM 0 HG3 ARG A 162 0.803 1.236 11.362 1.00 0.00 H new ATOM 0 HD2 ARG A 162 2.041 -0.835 11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 162 0.705 -1.746 11.736 1.00 0.00 H new ATOM 0 HE ARG A 162 -0.320 -0.268 9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 162 2.049 -2.842 10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 162 1.770 -3.587 8.542 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -0.648 -1.204 7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 162 0.236 -2.655 7.093 1.00 0.00 H new ATOM 981 N THR A 163 2.172 1.805 16.041 1.00 0.00 N ATOM 982 CA THR A 163 2.495 1.709 17.460 1.00 0.00 C ATOM 983 C THR A 163 1.661 2.685 18.281 1.00 0.00 C ATOM 984 O THR A 163 1.185 2.349 19.366 1.00 0.00 O ATOM 985 CB THR A 163 3.988 1.981 17.720 1.00 0.00 C ATOM 986 OG1 THR A 163 4.780 0.991 17.050 1.00 0.00 O ATOM 987 CG2 THR A 163 4.286 1.939 19.211 1.00 0.00 C ATOM 0 H THR A 163 2.953 2.091 15.450 1.00 0.00 H new ATOM 0 HA THR A 163 2.263 0.689 17.766 1.00 0.00 H new ATOM 0 HB THR A 163 4.233 2.972 17.339 1.00 0.00 H new ATOM 0 HG1 THR A 163 4.797 1.181 16.089 1.00 0.00 H new ATOM 0 HG21 THR A 163 5.346 2.133 19.376 1.00 0.00 H new ATOM 0 HG22 THR A 163 3.694 2.698 19.722 1.00 0.00 H new ATOM 0 HG23 THR A 163 4.032 0.955 19.605 1.00 0.00 H new ATOM 995 N ALA A 164 1.487 3.893 17.757 1.00 0.00 N ATOM 996 CA ALA A 164 0.672 4.905 18.418 1.00 0.00 C ATOM 997 C ALA A 164 -0.807 4.547 18.358 1.00 0.00 C ATOM 998 O ALA A 164 -1.518 4.638 19.359 1.00 0.00 O ATOM 999 CB ALA A 164 0.914 6.271 17.794 1.00 0.00 C ATOM 0 H ALA A 164 1.900 4.196 16.875 1.00 0.00 H new ATOM 0 HA ALA A 164 0.966 4.941 19.467 1.00 0.00 H new ATOM 0 HB1 ALA A 164 0.298 7.016 18.298 1.00 0.00 H new ATOM 0 HB2 ALA A 164 1.966 6.538 17.899 1.00 0.00 H new ATOM 0 HB3 ALA A 164 0.652 6.240 16.736 1.00 0.00 H new ATOM 1005 N LEU A 165 -1.264 4.138 17.180 1.00 0.00 N ATOM 1006 CA LEU A 165 -2.675 3.834 16.969 1.00 0.00 C ATOM 1007 C LEU A 165 -3.123 2.670 17.842 1.00 0.00 C ATOM 1008 O LEU A 165 -4.294 2.576 18.215 1.00 0.00 O ATOM 1009 CB LEU A 165 -2.935 3.524 15.489 1.00 0.00 C ATOM 1010 CG LEU A 165 -2.780 4.714 14.535 1.00 0.00 C ATOM 1011 CD1 LEU A 165 -2.905 4.246 13.092 1.00 0.00 C ATOM 1012 CD2 LEU A 165 -3.833 5.763 14.855 1.00 0.00 C ATOM 0 H LEU A 165 -0.678 4.009 16.355 1.00 0.00 H new ATOM 0 HA LEU A 165 -3.257 4.710 17.254 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -2.252 2.735 15.174 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -3.946 3.128 15.389 1.00 0.00 H new ATOM 0 HG LEU A 165 -1.793 5.158 14.665 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -2.794 5.099 12.422 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -2.127 3.513 12.879 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -3.884 3.791 12.941 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.722 6.609 14.176 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -4.826 5.330 14.736 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -3.707 6.104 15.883 1.00 0.00 H new