USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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 53 ASN : amide:sc= -1.77 K(o=-1.8,f=-9.8!) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -164:sc=0.000267 (180deg=0) USER MOD Set 2.1: A 27 CYS SG : rot -176:sc= -4.94! USER MOD Set 2.2: A 62 TYR OH : rot -35:sc= -0.0599 USER MOD Set 3.1: A 14 ASN : amide:sc= -2.6! K(o=-4.8!,f=-3.2) USER MOD Set 3.2: A 78 MET CE :methyl -135:sc= -2.21! (180deg=0) USER MOD Single : A 4 TYR OH : rot -39:sc= -3.28 USER MOD Single : A 6 THR OG1 : rot 79:sc= 0.0118 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 98:sc= 0.325 USER MOD Single : A 13 ASN : amide:sc= -0.583 K(o=-0.58,f=-1.6) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 22 GLN : amide:sc= -0.365 X(o=-0.36,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -129:sc= 1.03 (180deg=-0.63) USER MOD Single : A 25 SER OG : rot 57:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= -0.0259 (180deg=-0.0259) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -2.56 USER MOD Single : A 40 THR OG1 : rot 20:sc= 0.836! USER MOD Single : A 41 THR OG1 : rot 150:sc= 0.256 USER MOD Single : A 43 SER OG : rot 180:sc= -1.02 USER MOD Single : A 47 SER OG : rot 102:sc= 1.1 USER MOD Single : A 51 SER OG : rot 90:sc= 1.22 USER MOD Single : A 52 HIS : no HD1:sc= -0.994 X(o=-0.99,f=-0.77) USER MOD Single : A 57 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.149) USER MOD Single : A 59 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.01) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -3.42 X(o=-3.4,f=-3.5!) USER MOD Single : A 70 SER OG : rot 81:sc= 0.351 USER MOD Single : A 77 THR OG1 : rot 60:sc= 1.17 USER MOD Single : A 82 TYR OH : rot 50:sc= -1.21 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -4.223 15.155 8.805 1.00 35.11 N ATOM 21 CA ALA A 2 -5.486 14.446 8.972 1.00 35.11 C ATOM 22 C ALA A 2 -5.662 13.367 7.919 1.00 35.11 C ATOM 23 O ALA A 2 -6.149 12.276 8.218 1.00 35.11 O ATOM 24 CB ALA A 2 -6.656 15.420 8.947 1.00 35.11 C ATOM 0 HA ALA A 2 -5.465 13.956 9.945 1.00 35.11 H new ATOM 0 HB1 ALA A 2 -7.589 14.871 9.073 1.00 35.11 H new ATOM 0 HB2 ALA A 2 -6.547 16.141 9.757 1.00 35.11 H new ATOM 0 HB3 ALA A 2 -6.671 15.946 7.993 1.00 35.11 H new ATOM 30 N GLU A 3 -5.240 13.654 6.692 1.00 71.76 N ATOM 31 CA GLU A 3 -5.336 12.671 5.620 1.00 71.76 C ATOM 32 C GLU A 3 -4.522 11.456 6.003 1.00 71.76 C ATOM 33 O GLU A 3 -4.960 10.318 5.846 1.00 71.76 O ATOM 34 CB GLU A 3 -4.802 13.257 4.309 1.00 71.76 C ATOM 35 CG GLU A 3 -5.515 14.515 3.865 1.00 71.76 C ATOM 36 CD GLU A 3 -5.031 15.007 2.514 1.00 71.76 C ATOM 37 OE1 GLU A 3 -3.949 15.628 2.461 1.00 71.76 O ATOM 38 OE2 GLU A 3 -5.732 14.766 1.508 1.00 71.76 O ATOM 0 H GLU A 3 -4.833 14.548 6.417 1.00 71.76 H new ATOM 0 HA GLU A 3 -6.380 12.394 5.474 1.00 71.76 H new ATOM 0 HB2 GLU A 3 -3.740 13.475 4.425 1.00 71.76 H new ATOM 0 HB3 GLU A 3 -4.889 12.505 3.524 1.00 71.76 H new ATOM 0 HG2 GLU A 3 -6.587 14.324 3.816 1.00 71.76 H new ATOM 0 HG3 GLU A 3 -5.364 15.297 4.609 1.00 71.76 H new ATOM 45 N TYR A 4 -3.333 11.716 6.523 1.00112.05 N ATOM 46 CA TYR A 4 -2.454 10.652 6.951 1.00112.05 C ATOM 47 C TYR A 4 -3.086 9.858 8.088 1.00112.05 C ATOM 48 O TYR A 4 -3.021 8.629 8.104 1.00112.05 O ATOM 49 CB TYR A 4 -1.094 11.201 7.366 1.00112.05 C ATOM 50 CG TYR A 4 -0.107 10.121 7.689 1.00112.05 C ATOM 51 CD1 TYR A 4 0.364 9.268 6.701 1.00112.05 C ATOM 52 CD2 TYR A 4 0.346 9.942 8.983 1.00112.05 C ATOM 53 CE1 TYR A 4 1.264 8.267 6.997 1.00112.05 C ATOM 54 CE2 TYR A 4 1.243 8.946 9.289 1.00112.05 C ATOM 55 CZ TYR A 4 1.701 8.108 8.294 1.00112.05 C ATOM 56 OH TYR A 4 2.594 7.108 8.593 1.00112.05 O ATOM 0 H TYR A 4 -2.959 12.656 6.657 1.00112.05 H new ATOM 0 HA TYR A 4 -2.301 9.979 6.107 1.00112.05 H new ATOM 0 HB2 TYR A 4 -0.697 11.822 6.563 1.00112.05 H new ATOM 0 HB3 TYR A 4 -1.218 11.846 8.236 1.00112.05 H new ATOM 0 HD1 TYR A 4 0.020 9.390 5.685 1.00112.05 H new ATOM 0 HD2 TYR A 4 -0.010 10.595 9.766 1.00112.05 H new ATOM 0 HE1 TYR A 4 1.624 7.612 6.218 1.00112.05 H new ATOM 0 HE2 TYR A 4 1.588 8.820 10.305 1.00112.05 H new ATOM 0 HH TYR A 4 2.368 6.304 8.080 1.00112.05 H new ATOM 66 N GLY A 5 -3.715 10.562 9.039 1.00 23.54 N ATOM 67 CA GLY A 5 -4.362 9.879 10.149 1.00 23.54 C ATOM 68 C GLY A 5 -5.432 8.929 9.654 1.00 23.54 C ATOM 69 O GLY A 5 -5.505 7.774 10.077 1.00 23.54 O ATOM 0 H GLY A 5 -3.785 11.579 9.057 1.00 23.54 H new ATOM 0 HA2 GLY A 5 -3.618 9.327 10.724 1.00 23.54 H new ATOM 0 HA3 GLY A 5 -4.805 10.612 10.823 1.00 23.54 H new ATOM 73 N THR A 6 -6.241 9.424 8.725 1.00 90.84 N ATOM 74 CA THR A 6 -7.299 8.647 8.114 1.00 90.84 C ATOM 75 C THR A 6 -6.707 7.550 7.249 1.00 90.84 C ATOM 76 O THR A 6 -7.217 6.439 7.217 1.00 90.84 O ATOM 77 CB THR A 6 -8.206 9.566 7.279 1.00 90.84 C ATOM 78 OG1 THR A 6 -8.863 10.511 8.134 1.00 90.84 O ATOM 79 CG2 THR A 6 -9.235 8.782 6.491 1.00 90.84 C ATOM 0 H THR A 6 -6.177 10.380 8.377 1.00 90.84 H new ATOM 0 HA THR A 6 -7.900 8.182 8.896 1.00 90.84 H new ATOM 0 HB THR A 6 -7.574 10.093 6.564 1.00 90.84 H new ATOM 0 HG1 THR A 6 -8.242 11.235 8.360 1.00 90.84 H new ATOM 0 HG21 THR A 6 -9.854 9.470 5.916 1.00 90.84 H new ATOM 0 HG22 THR A 6 -8.728 8.096 5.812 1.00 90.84 H new ATOM 0 HG23 THR A 6 -9.864 8.215 7.177 1.00 90.84 H new ATOM 87 N LEU A 7 -5.613 7.858 6.566 1.00 63.89 N ATOM 88 CA LEU A 7 -4.941 6.871 5.726 1.00 63.89 C ATOM 89 C LEU A 7 -4.642 5.621 6.540 1.00 63.89 C ATOM 90 O LEU A 7 -5.070 4.516 6.200 1.00 63.89 O ATOM 91 CB LEU A 7 -3.637 7.450 5.178 1.00 63.89 C ATOM 92 CG LEU A 7 -2.709 6.431 4.520 1.00 63.89 C ATOM 93 CD1 LEU A 7 -3.379 5.811 3.308 1.00 63.89 C ATOM 94 CD2 LEU A 7 -1.370 7.061 4.170 1.00 63.89 C ATOM 0 H LEU A 7 -5.172 8.778 6.575 1.00 63.89 H new ATOM 0 HA LEU A 7 -5.594 6.612 4.893 1.00 63.89 H new ATOM 0 HB2 LEU A 7 -3.878 8.224 4.450 1.00 63.89 H new ATOM 0 HB3 LEU A 7 -3.101 7.935 5.993 1.00 63.89 H new ATOM 0 HG LEU A 7 -2.508 5.630 5.232 1.00 63.89 H new ATOM 0 HD11 LEU A 7 -2.705 5.087 2.850 1.00 63.89 H new ATOM 0 HD12 LEU A 7 -4.296 5.309 3.616 1.00 63.89 H new ATOM 0 HD13 LEU A 7 -3.618 6.591 2.586 1.00 63.89 H new ATOM 0 HD21 LEU A 7 -0.728 6.314 3.703 1.00 63.89 H new ATOM 0 HD22 LEU A 7 -1.527 7.889 3.478 1.00 63.89 H new ATOM 0 HD23 LEU A 7 -0.894 7.432 5.078 1.00 63.89 H new ATOM 106 N LEU A 8 -3.921 5.825 7.629 1.00 67.93 N ATOM 107 CA LEU A 8 -3.572 4.747 8.528 1.00 67.93 C ATOM 108 C LEU A 8 -4.832 4.099 9.083 1.00 67.93 C ATOM 109 O LEU A 8 -4.914 2.886 9.202 1.00 67.93 O ATOM 110 CB LEU A 8 -2.701 5.282 9.664 1.00 67.93 C ATOM 111 CG LEU A 8 -1.188 5.335 9.384 1.00 67.93 C ATOM 112 CD1 LEU A 8 -0.889 5.759 7.951 1.00 67.93 C ATOM 113 CD2 LEU A 8 -0.500 6.275 10.361 1.00 67.93 C ATOM 0 H LEU A 8 -3.564 6.738 7.911 1.00 67.93 H new ATOM 0 HA LEU A 8 -3.009 3.992 7.979 1.00 67.93 H new ATOM 0 HB2 LEU A 8 -3.040 6.287 9.913 1.00 67.93 H new ATOM 0 HB3 LEU A 8 -2.866 4.662 10.545 1.00 67.93 H new ATOM 0 HG LEU A 8 -0.797 4.326 9.519 1.00 67.93 H new ATOM 0 HD11 LEU A 8 0.190 5.783 7.796 1.00 67.93 H new ATOM 0 HD12 LEU A 8 -1.339 5.047 7.259 1.00 67.93 H new ATOM 0 HD13 LEU A 8 -1.304 6.751 7.771 1.00 67.93 H new ATOM 0 HD21 LEU A 8 0.569 6.301 10.149 1.00 67.93 H new ATOM 0 HD22 LEU A 8 -0.915 7.277 10.255 1.00 67.93 H new ATOM 0 HD23 LEU A 8 -0.660 5.922 11.380 1.00 67.93 H new ATOM 125 N GLN A 9 -5.828 4.922 9.387 1.00 42.21 N ATOM 126 CA GLN A 9 -7.092 4.431 9.901 1.00 42.21 C ATOM 127 C GLN A 9 -7.782 3.569 8.842 1.00 42.21 C ATOM 128 O GLN A 9 -8.380 2.542 9.163 1.00 42.21 O ATOM 129 CB GLN A 9 -7.932 5.654 10.323 1.00 42.21 C ATOM 130 CG GLN A 9 -9.441 5.485 10.265 1.00 42.21 C ATOM 131 CD GLN A 9 -10.130 5.883 11.556 1.00 42.21 C ATOM 132 OE1 GLN A 9 -10.541 7.030 11.726 1.00 42.21 O ATOM 133 NE2 GLN A 9 -10.252 4.933 12.478 1.00 42.21 N ATOM 0 H GLN A 9 -5.780 5.936 9.284 1.00 42.21 H new ATOM 0 HA GLN A 9 -6.952 3.791 10.772 1.00 42.21 H new ATOM 0 HB2 GLN A 9 -7.657 5.923 11.343 1.00 42.21 H new ATOM 0 HB3 GLN A 9 -7.657 6.495 9.686 1.00 42.21 H new ATOM 0 HG2 GLN A 9 -9.838 6.087 9.447 1.00 42.21 H new ATOM 0 HG3 GLN A 9 -9.677 4.445 10.039 1.00 42.21 H new ATOM 0 HE21 GLN A 9 -9.896 3.995 12.294 1.00 42.21 H new ATOM 0 HE22 GLN A 9 -10.701 5.142 13.369 1.00 42.21 H new ATOM 142 N ASP A 10 -7.694 3.993 7.590 1.00 76.39 N ATOM 143 CA ASP A 10 -8.313 3.259 6.492 1.00 76.39 C ATOM 144 C ASP A 10 -7.742 1.855 6.371 1.00 76.39 C ATOM 145 O ASP A 10 -8.497 0.883 6.353 1.00 76.39 O ATOM 146 CB ASP A 10 -8.138 4.017 5.176 1.00 76.39 C ATOM 147 CG ASP A 10 -8.872 5.342 5.170 1.00 76.39 C ATOM 148 OD1 ASP A 10 -9.803 5.508 5.988 1.00 76.39 O ATOM 149 OD2 ASP A 10 -8.520 6.213 4.348 1.00 76.39 O ATOM 0 H ASP A 10 -7.201 4.840 7.307 1.00 76.39 H new ATOM 0 HA ASP A 10 -9.377 3.171 6.710 1.00 76.39 H new ATOM 0 HB2 ASP A 10 -7.077 4.192 4.999 1.00 76.39 H new ATOM 0 HB3 ASP A 10 -8.501 3.400 4.354 1.00 76.39 H new ATOM 154 N LEU A 11 -6.414 1.722 6.330 1.00140.58 N ATOM 155 CA LEU A 11 -5.821 0.398 6.265 1.00140.58 C ATOM 156 C LEU A 11 -6.120 -0.323 7.565 1.00140.58 C ATOM 157 O LEU A 11 -6.371 -1.521 7.562 1.00140.58 O ATOM 158 CB LEU A 11 -4.331 0.454 5.942 1.00140.58 C ATOM 159 CG LEU A 11 -3.412 0.897 7.069 1.00140.58 C ATOM 160 CD1 LEU A 11 -2.978 -0.311 7.889 1.00140.58 C ATOM 161 CD2 LEU A 11 -2.206 1.640 6.495 1.00140.58 C ATOM 0 H LEU A 11 -5.750 2.496 6.341 1.00140.58 H new ATOM 0 HA LEU A 11 -6.263 -0.165 5.443 1.00140.58 H new ATOM 0 HB2 LEU A 11 -4.015 -0.536 5.613 1.00140.58 H new ATOM 0 HB3 LEU A 11 -4.189 1.131 5.099 1.00140.58 H new ATOM 0 HG LEU A 11 -3.947 1.580 7.729 1.00140.58 H new ATOM 0 HD11 LEU A 11 -2.320 0.014 8.695 1.00140.58 H new ATOM 0 HD12 LEU A 11 -3.856 -0.798 8.312 1.00140.58 H new ATOM 0 HD13 LEU A 11 -2.447 -1.014 7.248 1.00140.58 H new ATOM 0 HD21 LEU A 11 -1.552 1.955 7.308 1.00140.58 H new ATOM 0 HD22 LEU A 11 -1.658 0.980 5.823 1.00140.58 H new ATOM 0 HD23 LEU A 11 -2.547 2.516 5.944 1.00140.58 H new ATOM 173 N THR A 12 -6.167 0.438 8.670 1.00103.83 N ATOM 174 CA THR A 12 -6.521 -0.120 9.959 1.00103.83 C ATOM 175 C THR A 12 -7.934 -0.697 9.876 1.00103.83 C ATOM 176 O THR A 12 -8.222 -1.755 10.429 1.00103.83 O ATOM 177 CB THR A 12 -6.458 0.930 11.081 1.00103.83 C ATOM 178 OG1 THR A 12 -5.160 1.517 11.147 1.00103.83 O ATOM 179 CG2 THR A 12 -6.761 0.287 12.406 1.00103.83 C ATOM 0 H THR A 12 -5.963 1.437 8.684 1.00103.83 H new ATOM 0 HA THR A 12 -5.799 -0.900 10.201 1.00103.83 H new ATOM 0 HB THR A 12 -7.196 1.702 10.862 1.00103.83 H new ATOM 0 HG1 THR A 12 -5.164 2.375 10.673 1.00103.83 H new ATOM 0 HG21 THR A 12 -6.714 1.038 13.194 1.00103.83 H new ATOM 0 HG22 THR A 12 -7.760 -0.149 12.379 1.00103.83 H new ATOM 0 HG23 THR A 12 -6.029 -0.495 12.607 1.00103.83 H new ATOM 187 N ASN A 13 -8.801 -0.004 9.137 1.00 36.97 N ATOM 188 CA ASN A 13 -10.169 -0.468 8.931 1.00 36.97 C ATOM 189 C ASN A 13 -10.137 -1.776 8.151 1.00 36.97 C ATOM 190 O ASN A 13 -10.957 -2.667 8.365 1.00 36.97 O ATOM 191 CB ASN A 13 -11.001 0.569 8.165 1.00 36.97 C ATOM 192 CG ASN A 13 -11.174 1.867 8.928 1.00 36.97 C ATOM 193 OD1 ASN A 13 -10.988 1.918 10.144 1.00 36.97 O ATOM 194 ND2 ASN A 13 -11.535 2.925 8.213 1.00 36.97 N ATOM 0 H ASN A 13 -8.579 0.877 8.674 1.00 36.97 H new ATOM 0 HA ASN A 13 -10.635 -0.619 9.905 1.00 36.97 H new ATOM 0 HB2 ASN A 13 -10.522 0.777 7.208 1.00 36.97 H new ATOM 0 HB3 ASN A 13 -11.983 0.149 7.945 1.00 36.97 H new ATOM 0 HD21 ASN A 13 -11.669 3.827 8.669 1.00 36.97 H new ATOM 0 HD22 ASN A 13 -11.678 2.836 7.207 1.00 36.97 H new ATOM 201 N ASN A 14 -9.152 -1.885 7.259 1.00 84.59 N ATOM 202 CA ASN A 14 -8.965 -3.081 6.455 1.00 84.59 C ATOM 203 C ASN A 14 -7.977 -4.039 7.127 1.00 84.59 C ATOM 204 O ASN A 14 -7.623 -5.075 6.563 1.00 84.59 O ATOM 205 CB ASN A 14 -8.458 -2.691 5.065 1.00 84.59 C ATOM 206 CG ASN A 14 -9.468 -1.854 4.302 1.00 84.59 C ATOM 207 OD1 ASN A 14 -10.431 -2.379 3.745 1.00 84.59 O ATOM 208 ND2 ASN A 14 -9.255 -0.544 4.277 1.00 84.59 N ATOM 0 H ASN A 14 -8.469 -1.150 7.078 1.00 84.59 H new ATOM 0 HA ASN A 14 -9.923 -3.592 6.361 1.00 84.59 H new ATOM 0 HB2 ASN A 14 -7.526 -2.134 5.163 1.00 84.59 H new ATOM 0 HB3 ASN A 14 -8.232 -3.593 4.496 1.00 84.59 H new ATOM 0 HD21 ASN A 14 -9.903 0.069 3.782 1.00 84.59 H new ATOM 0 HD22 ASN A 14 -8.443 -0.150 4.753 1.00 84.59 H new ATOM 215 N ILE A 15 -7.520 -3.673 8.328 1.00120.44 N ATOM 216 CA ILE A 15 -6.569 -4.466 9.065 1.00120.44 C ATOM 217 C ILE A 15 -7.247 -5.432 10.041 1.00120.44 C ATOM 218 O ILE A 15 -7.931 -5.023 10.980 1.00120.44 O ATOM 219 CB ILE A 15 -5.564 -3.510 9.784 1.00120.44 C ATOM 220 CG1 ILE A 15 -4.154 -3.999 9.603 1.00120.44 C ATOM 221 CG2 ILE A 15 -5.838 -3.282 11.267 1.00120.44 C ATOM 222 CD1 ILE A 15 -3.906 -5.355 10.214 1.00120.44 C ATOM 0 H ILE A 15 -7.807 -2.818 8.804 1.00120.44 H new ATOM 0 HA ILE A 15 -6.022 -5.099 8.367 1.00120.44 H new ATOM 0 HB ILE A 15 -5.705 -2.542 9.303 1.00120.44 H new ATOM 0 HG12 ILE A 15 -3.926 -4.042 8.538 1.00120.44 H new ATOM 0 HG13 ILE A 15 -3.468 -3.278 10.047 1.00120.44 H new ATOM 0 HG21 ILE A 15 -5.088 -2.605 11.676 1.00120.44 H new ATOM 0 HG22 ILE A 15 -6.828 -2.843 11.391 1.00120.44 H new ATOM 0 HG23 ILE A 15 -5.794 -4.234 11.796 1.00120.44 H new ATOM 0 HD11 ILE A 15 -2.869 -5.646 10.046 1.00120.44 H new ATOM 0 HD12 ILE A 15 -4.102 -5.313 11.285 1.00120.44 H new ATOM 0 HD13 ILE A 15 -4.568 -6.088 9.753 1.00120.44 H new ATOM 234 N THR A 16 -7.027 -6.718 9.829 1.00158.94 N ATOM 235 CA THR A 16 -7.576 -7.727 10.708 1.00158.94 C ATOM 236 C THR A 16 -6.606 -7.995 11.829 1.00158.94 C ATOM 237 O THR A 16 -5.406 -7.758 11.685 1.00158.94 O ATOM 238 CB THR A 16 -7.824 -9.057 9.987 1.00158.94 C ATOM 239 OG1 THR A 16 -6.592 -9.577 9.468 1.00158.94 O ATOM 240 CG2 THR A 16 -8.822 -8.884 8.872 1.00158.94 C ATOM 0 H THR A 16 -6.472 -7.085 9.056 1.00158.94 H new ATOM 0 HA THR A 16 -8.527 -7.343 11.077 1.00158.94 H new ATOM 0 HB THR A 16 -8.233 -9.765 10.708 1.00158.94 H new ATOM 0 HG1 THR A 16 -6.762 -10.427 9.011 1.00158.94 H new ATOM 0 HG21 THR A 16 -8.982 -9.841 8.375 1.00158.94 H new ATOM 0 HG22 THR A 16 -9.766 -8.525 9.281 1.00158.94 H new ATOM 0 HG23 THR A 16 -8.441 -8.160 8.152 1.00158.94 H new ATOM 248 N LEU A 17 -7.104 -8.531 12.930 1.00 50.69 N ATOM 249 CA LEU A 17 -6.227 -8.869 14.043 1.00 50.69 C ATOM 250 C LEU A 17 -5.194 -9.886 13.567 1.00 50.69 C ATOM 251 O LEU A 17 -4.030 -9.848 13.961 1.00 50.69 O ATOM 252 CB LEU A 17 -7.018 -9.426 15.222 1.00 50.69 C ATOM 253 CG LEU A 17 -6.264 -9.420 16.552 1.00 50.69 C ATOM 254 CD1 LEU A 17 -5.133 -10.437 16.539 1.00 50.69 C ATOM 255 CD2 LEU A 17 -5.728 -8.031 16.858 1.00 50.69 C ATOM 0 H LEU A 17 -8.091 -8.739 13.079 1.00 50.69 H new ATOM 0 HA LEU A 17 -5.725 -7.964 14.386 1.00 50.69 H new ATOM 0 HB2 LEU A 17 -7.934 -8.845 15.335 1.00 50.69 H new ATOM 0 HB3 LEU A 17 -7.316 -10.449 14.992 1.00 50.69 H new ATOM 0 HG LEU A 17 -6.965 -9.700 17.339 1.00 50.69 H new ATOM 0 HD11 LEU A 17 -4.612 -10.414 17.496 1.00 50.69 H new ATOM 0 HD12 LEU A 17 -5.542 -11.434 16.373 1.00 50.69 H new ATOM 0 HD13 LEU A 17 -4.434 -10.193 15.739 1.00 50.69 H new ATOM 0 HD21 LEU A 17 -5.195 -8.048 17.809 1.00 50.69 H new ATOM 0 HD22 LEU A 17 -5.047 -7.721 16.065 1.00 50.69 H new ATOM 0 HD23 LEU A 17 -6.557 -7.326 16.920 1.00 50.69 H new ATOM 267 N GLU A 18 -5.641 -10.779 12.686 1.00107.93 N ATOM 268 CA GLU A 18 -4.774 -11.796 12.118 1.00107.93 C ATOM 269 C GLU A 18 -3.753 -11.155 11.185 1.00107.93 C ATOM 270 O GLU A 18 -2.561 -11.466 11.241 1.00107.93 O ATOM 271 CB GLU A 18 -5.613 -12.833 11.363 1.00107.93 C ATOM 272 CG GLU A 18 -6.570 -13.604 12.262 1.00107.93 C ATOM 273 CD GLU A 18 -7.302 -14.718 11.536 1.00107.93 C ATOM 274 OE1 GLU A 18 -7.145 -14.832 10.301 1.00107.93 O ATOM 275 OE2 GLU A 18 -8.035 -15.477 12.204 1.00107.93 O ATOM 0 H GLU A 18 -6.604 -10.814 12.352 1.00107.93 H new ATOM 0 HA GLU A 18 -4.238 -12.298 12.924 1.00107.93 H new ATOM 0 HB2 GLU A 18 -6.184 -12.330 10.583 1.00107.93 H new ATOM 0 HB3 GLU A 18 -4.946 -13.537 10.866 1.00107.93 H new ATOM 0 HG2 GLU A 18 -6.012 -14.028 13.097 1.00107.93 H new ATOM 0 HG3 GLU A 18 -7.299 -12.913 12.684 1.00107.93 H new ATOM 282 N ASP A 19 -4.224 -10.239 10.339 1.00 35.40 N ATOM 283 CA ASP A 19 -3.346 -9.537 9.412 1.00 35.40 C ATOM 284 C ASP A 19 -2.273 -8.763 10.166 1.00 35.40 C ATOM 285 O ASP A 19 -1.111 -8.743 9.764 1.00 35.40 O ATOM 286 CB ASP A 19 -4.147 -8.587 8.520 1.00 35.40 C ATOM 287 CG ASP A 19 -4.793 -9.295 7.344 1.00 35.40 C ATOM 288 OD1 ASP A 19 -4.354 -10.418 7.015 1.00 35.40 O ATOM 289 OD2 ASP A 19 -5.731 -8.724 6.748 1.00 35.40 O ATOM 0 H ASP A 19 -5.206 -9.969 10.279 1.00 35.40 H new ATOM 0 HA ASP A 19 -2.861 -10.282 8.781 1.00 35.40 H new ATOM 0 HB2 ASP A 19 -4.920 -8.101 9.115 1.00 35.40 H new ATOM 0 HB3 ASP A 19 -3.489 -7.801 8.149 1.00 35.40 H new ATOM 294 N LEU A 20 -2.669 -8.131 11.271 1.00 45.47 N ATOM 295 CA LEU A 20 -1.728 -7.362 12.080 1.00 45.47 C ATOM 296 C LEU A 20 -0.585 -8.236 12.555 1.00 45.47 C ATOM 297 O LEU A 20 0.571 -7.838 12.489 1.00 45.47 O ATOM 298 CB LEU A 20 -2.427 -6.727 13.283 1.00 45.47 C ATOM 299 CG LEU A 20 -2.544 -5.206 13.246 1.00 45.47 C ATOM 300 CD1 LEU A 20 -3.065 -4.683 14.578 1.00 45.47 C ATOM 301 CD2 LEU A 20 -1.206 -4.557 12.884 1.00 45.47 C ATOM 0 H LEU A 20 -3.626 -8.137 11.623 1.00 45.47 H new ATOM 0 HA LEU A 20 -1.327 -6.568 11.450 1.00 45.47 H new ATOM 0 HB2 LEU A 20 -3.429 -7.149 13.364 1.00 45.47 H new ATOM 0 HB3 LEU A 20 -1.887 -7.011 14.186 1.00 45.47 H new ATOM 0 HG LEU A 20 -3.259 -4.937 12.468 1.00 45.47 H new ATOM 0 HD11 LEU A 20 -3.143 -3.597 14.537 1.00 45.47 H new ATOM 0 HD12 LEU A 20 -4.048 -5.110 14.777 1.00 45.47 H new ATOM 0 HD13 LEU A 20 -2.377 -4.967 15.375 1.00 45.47 H new ATOM 0 HD21 LEU A 20 -1.321 -3.473 12.865 1.00 45.47 H new ATOM 0 HD22 LEU A 20 -0.456 -4.830 13.627 1.00 45.47 H new ATOM 0 HD23 LEU A 20 -0.887 -4.905 11.902 1.00 45.47 H new ATOM 313 N GLU A 21 -0.910 -9.436 13.024 1.00 91.26 N ATOM 314 CA GLU A 21 0.117 -10.355 13.493 1.00 91.26 C ATOM 315 C GLU A 21 1.101 -10.656 12.375 1.00 91.26 C ATOM 316 O GLU A 21 2.267 -10.951 12.628 1.00 91.26 O ATOM 317 CB GLU A 21 -0.483 -11.652 14.015 1.00 91.26 C ATOM 318 CG GLU A 21 -1.417 -11.466 15.201 1.00 91.26 C ATOM 319 CD GLU A 21 -1.887 -12.783 15.793 1.00 91.26 C ATOM 320 OE1 GLU A 21 -1.676 -13.833 15.151 1.00 91.26 O ATOM 321 OE2 GLU A 21 -2.466 -12.763 16.900 1.00 91.26 O ATOM 0 H GLU A 21 -1.864 -9.791 13.089 1.00 91.26 H new ATOM 0 HA GLU A 21 0.639 -9.871 14.318 1.00 91.26 H new ATOM 0 HB2 GLU A 21 -1.030 -12.139 13.207 1.00 91.26 H new ATOM 0 HB3 GLU A 21 0.325 -12.324 14.303 1.00 91.26 H new ATOM 0 HG2 GLU A 21 -0.907 -10.888 15.972 1.00 91.26 H new ATOM 0 HG3 GLU A 21 -2.284 -10.884 14.887 1.00 91.26 H new ATOM 328 N GLN A 22 0.635 -10.546 11.133 1.00 87.96 N ATOM 329 CA GLN A 22 1.508 -10.779 9.997 1.00 87.96 C ATOM 330 C GLN A 22 2.449 -9.602 9.862 1.00 87.96 C ATOM 331 O GLN A 22 3.662 -9.768 9.739 1.00 87.96 O ATOM 332 CB GLN A 22 0.715 -10.980 8.711 1.00 87.96 C ATOM 333 CG GLN A 22 1.584 -11.437 7.553 1.00 87.96 C ATOM 334 CD GLN A 22 0.769 -11.895 6.359 1.00 87.96 C ATOM 335 OE1 GLN A 22 0.599 -13.093 6.133 1.00 87.96 O ATOM 336 NE2 GLN A 22 0.251 -10.941 5.595 1.00 87.96 N ATOM 0 H GLN A 22 -0.326 -10.301 10.895 1.00 87.96 H new ATOM 0 HA GLN A 22 2.075 -11.694 10.168 1.00 87.96 H new ATOM 0 HB2 GLN A 22 -0.070 -11.717 8.884 1.00 87.96 H new ATOM 0 HB3 GLN A 22 0.222 -10.046 8.443 1.00 87.96 H new ATOM 0 HG2 GLN A 22 2.238 -10.620 7.250 1.00 87.96 H new ATOM 0 HG3 GLN A 22 2.226 -12.253 7.885 1.00 87.96 H new ATOM 0 HE21 GLN A 22 0.418 -9.960 5.820 1.00 87.96 H new ATOM 0 HE22 GLN A 22 -0.314 -11.189 4.783 1.00 87.96 H new ATOM 345 N LEU A 23 1.878 -8.399 9.940 1.00 99.30 N ATOM 346 CA LEU A 23 2.659 -7.181 9.884 1.00 99.30 C ATOM 347 C LEU A 23 3.629 -7.190 11.056 1.00 99.30 C ATOM 348 O LEU A 23 4.813 -6.933 10.907 1.00 99.30 O ATOM 349 CB LEU A 23 1.725 -5.968 9.988 1.00 99.30 C ATOM 350 CG LEU A 23 0.555 -5.959 9.003 1.00 99.30 C ATOM 351 CD1 LEU A 23 -0.228 -4.655 9.103 1.00 99.30 C ATOM 352 CD2 LEU A 23 1.040 -6.197 7.577 1.00 99.30 C ATOM 0 H LEU A 23 0.874 -8.251 10.042 1.00 99.30 H new ATOM 0 HA LEU A 23 3.207 -7.120 8.943 1.00 99.30 H new ATOM 0 HB2 LEU A 23 1.326 -5.923 11.001 1.00 99.30 H new ATOM 0 HB3 LEU A 23 2.313 -5.063 9.837 1.00 99.30 H new ATOM 0 HG LEU A 23 -0.116 -6.776 9.269 1.00 99.30 H new ATOM 0 HD11 LEU A 23 -1.055 -4.672 8.393 1.00 99.30 H new ATOM 0 HD12 LEU A 23 -0.620 -4.542 10.114 1.00 99.30 H new ATOM 0 HD13 LEU A 23 0.430 -3.817 8.874 1.00 99.30 H new ATOM 0 HD21 LEU A 23 0.189 -6.186 6.896 1.00 99.30 H new ATOM 0 HD22 LEU A 23 1.740 -5.411 7.295 1.00 99.30 H new ATOM 0 HD23 LEU A 23 1.538 -7.165 7.519 1.00 99.30 H new ATOM 364 N LYS A 24 3.084 -7.538 12.216 1.00114.71 N ATOM 365 CA LYS A 24 3.845 -7.633 13.457 1.00114.71 C ATOM 366 C LYS A 24 4.972 -8.658 13.327 1.00114.71 C ATOM 367 O LYS A 24 6.100 -8.413 13.754 1.00114.71 O ATOM 368 CB LYS A 24 2.905 -8.021 14.606 1.00114.71 C ATOM 369 CG LYS A 24 1.880 -6.941 14.936 1.00114.71 C ATOM 370 CD LYS A 24 0.714 -7.483 15.750 1.00114.71 C ATOM 371 CE LYS A 24 1.172 -8.081 17.069 1.00114.71 C ATOM 372 NZ LYS A 24 0.027 -8.550 17.904 1.00114.71 N ATOM 0 H LYS A 24 2.095 -7.764 12.323 1.00114.71 H new ATOM 0 HA LYS A 24 4.294 -6.663 13.668 1.00114.71 H new ATOM 0 HB2 LYS A 24 2.382 -8.941 14.344 1.00114.71 H new ATOM 0 HB3 LYS A 24 3.498 -8.234 15.496 1.00114.71 H new ATOM 0 HG2 LYS A 24 2.366 -6.139 15.491 1.00114.71 H new ATOM 0 HG3 LYS A 24 1.503 -6.505 14.011 1.00114.71 H new ATOM 0 HD2 LYS A 24 0.002 -6.680 15.943 1.00114.71 H new ATOM 0 HD3 LYS A 24 0.189 -8.242 15.170 1.00114.71 H new ATOM 0 HE2 LYS A 24 1.843 -8.917 16.873 1.00114.71 H new ATOM 0 HE3 LYS A 24 1.743 -7.337 17.624 1.00114.71 H new ATOM 0 HZ1 LYS A 24 0.112 -8.155 18.862 1.00114.71 H new ATOM 0 HZ2 LYS A 24 -0.867 -8.233 17.477 1.00114.71 H new ATOM 0 HZ3 LYS A 24 0.037 -9.589 17.955 1.00114.71 H new ATOM 386 N SER A 25 4.661 -9.796 12.710 1.00 75.52 N ATOM 387 CA SER A 25 5.652 -10.850 12.496 1.00 75.52 C ATOM 388 C SER A 25 6.750 -10.320 11.597 1.00 75.52 C ATOM 389 O SER A 25 7.939 -10.535 11.835 1.00 75.52 O ATOM 390 CB SER A 25 5.000 -12.085 11.866 1.00 75.52 C ATOM 391 OG SER A 25 4.053 -12.663 12.746 1.00 75.52 O ATOM 0 H SER A 25 3.732 -10.012 12.349 1.00 75.52 H new ATOM 0 HA SER A 25 6.075 -11.146 13.456 1.00 75.52 H new ATOM 0 HB2 SER A 25 4.512 -11.806 10.932 1.00 75.52 H new ATOM 0 HB3 SER A 25 5.767 -12.819 11.618 1.00 75.52 H new ATOM 0 HG SER A 25 3.385 -11.991 12.995 1.00 75.52 H new ATOM 397 N ALA A 26 6.328 -9.581 10.585 1.00 32.46 N ATOM 398 CA ALA A 26 7.247 -8.956 9.661 1.00 32.46 C ATOM 399 C ALA A 26 8.010 -7.862 10.391 1.00 32.46 C ATOM 400 O ALA A 26 9.190 -7.627 10.134 1.00 32.46 O ATOM 401 CB ALA A 26 6.495 -8.396 8.464 1.00 32.46 C ATOM 0 H ALA A 26 5.344 -9.401 10.385 1.00 32.46 H new ATOM 0 HA ALA A 26 7.956 -9.695 9.287 1.00 32.46 H new ATOM 0 HB1 ALA A 26 7.201 -7.929 7.777 1.00 32.46 H new ATOM 0 HB2 ALA A 26 5.972 -9.204 7.952 1.00 32.46 H new ATOM 0 HB3 ALA A 26 5.773 -7.653 8.803 1.00 32.46 H new ATOM 407 N CYS A 27 7.320 -7.211 11.330 1.00 54.89 N ATOM 408 CA CYS A 27 7.928 -6.161 12.128 1.00 54.89 C ATOM 409 C CYS A 27 8.694 -6.739 13.304 1.00 54.89 C ATOM 410 O CYS A 27 9.288 -5.995 14.073 1.00 54.89 O ATOM 411 CB CYS A 27 6.895 -5.186 12.675 1.00 54.89 C ATOM 412 SG CYS A 27 5.904 -4.355 11.430 1.00 54.89 S ATOM 0 H CYS A 27 6.342 -7.397 11.551 1.00 54.89 H new ATOM 0 HA CYS A 27 8.606 -5.631 11.459 1.00 54.89 H new ATOM 0 HB2 CYS A 27 6.229 -5.726 13.348 1.00 54.89 H new ATOM 0 HB3 CYS A 27 7.409 -4.432 13.272 1.00 54.89 H new ATOM 0 HG CYS A 27 5.114 -3.498 12.005 1.00 54.89 H new ATOM 418 N LYS A 28 8.686 -8.065 13.471 1.00157.95 N ATOM 419 CA LYS A 28 9.398 -8.676 14.593 1.00157.95 C ATOM 420 C LYS A 28 10.840 -8.152 14.649 1.00157.95 C ATOM 421 O LYS A 28 11.425 -7.997 15.722 1.00157.95 O ATOM 422 CB LYS A 28 9.336 -10.210 14.475 1.00157.95 C ATOM 423 CG LYS A 28 10.437 -10.832 13.633 1.00157.95 C ATOM 424 CD LYS A 28 11.593 -11.276 14.505 1.00157.95 C ATOM 425 CE LYS A 28 12.762 -11.783 13.675 1.00157.95 C ATOM 426 NZ LYS A 28 14.072 -11.386 14.261 1.00157.95 N ATOM 0 H LYS A 28 8.205 -8.722 12.857 1.00157.95 H new ATOM 0 HA LYS A 28 8.919 -8.400 15.532 1.00157.95 H new ATOM 0 HB2 LYS A 28 9.378 -10.639 15.476 1.00157.95 H new ATOM 0 HB3 LYS A 28 8.372 -10.488 14.049 1.00157.95 H new ATOM 0 HG2 LYS A 28 10.042 -11.686 13.082 1.00157.95 H new ATOM 0 HG3 LYS A 28 10.788 -10.111 12.895 1.00157.95 H new ATOM 0 HD2 LYS A 28 11.922 -10.442 15.125 1.00157.95 H new ATOM 0 HD3 LYS A 28 11.258 -12.063 15.180 1.00157.95 H new ATOM 0 HE2 LYS A 28 12.711 -12.869 13.602 1.00157.95 H new ATOM 0 HE3 LYS A 28 12.684 -11.391 12.661 1.00157.95 H new ATOM 0 HZ1 LYS A 28 14.843 -11.751 13.666 1.00157.95 H new ATOM 0 HZ2 LYS A 28 14.131 -10.349 14.308 1.00157.95 H new ATOM 0 HZ3 LYS A 28 14.158 -11.781 15.219 1.00157.95 H new ATOM 440 N GLU A 29 11.378 -7.851 13.473 1.00243.70 N ATOM 441 CA GLU A 29 12.720 -7.308 13.345 1.00243.70 C ATOM 442 C GLU A 29 12.757 -5.799 13.624 1.00243.70 C ATOM 443 O GLU A 29 13.708 -5.294 14.223 1.00243.70 O ATOM 444 CB GLU A 29 13.245 -7.574 11.935 1.00243.70 C ATOM 445 CG GLU A 29 13.252 -9.044 11.554 1.00243.70 C ATOM 446 CD GLU A 29 13.832 -9.291 10.174 1.00243.70 C ATOM 447 OE1 GLU A 29 14.118 -8.305 9.460 1.00243.70 O ATOM 448 OE2 GLU A 29 13.999 -10.473 9.806 1.00243.70 O ATOM 0 H GLU A 29 10.895 -7.977 12.584 1.00243.70 H new ATOM 0 HA GLU A 29 13.350 -7.801 14.085 1.00243.70 H new ATOM 0 HB2 GLU A 29 12.633 -7.025 11.219 1.00243.70 H new ATOM 0 HB3 GLU A 29 14.259 -7.182 11.854 1.00243.70 H new ATOM 0 HG2 GLU A 29 13.829 -9.603 12.291 1.00243.70 H new ATOM 0 HG3 GLU A 29 12.233 -9.429 11.589 1.00243.70 H new ATOM 455 N ASP A 30 11.742 -5.079 13.137 1.00108.85 N ATOM 456 CA ASP A 30 11.688 -3.619 13.281 1.00108.85 C ATOM 457 C ASP A 30 11.038 -3.143 14.583 1.00108.85 C ATOM 458 O ASP A 30 11.523 -2.202 15.214 1.00108.85 O ATOM 459 CB ASP A 30 10.936 -3.015 12.088 1.00108.85 C ATOM 460 CG ASP A 30 11.636 -3.272 10.767 1.00108.85 C ATOM 461 OD1 ASP A 30 12.872 -3.459 10.775 1.00108.85 O ATOM 462 OD2 ASP A 30 10.948 -3.288 9.724 1.00108.85 O ATOM 0 H ASP A 30 10.947 -5.481 12.640 1.00108.85 H new ATOM 0 HA ASP A 30 12.723 -3.277 13.311 1.00108.85 H new ATOM 0 HB2 ASP A 30 9.930 -3.432 12.049 1.00108.85 H new ATOM 0 HB3 ASP A 30 10.830 -1.940 12.236 1.00108.85 H new ATOM 467 N ILE A 31 9.922 -3.756 14.959 1.00355.97 N ATOM 468 CA ILE A 31 9.193 -3.354 16.152 1.00355.97 C ATOM 469 C ILE A 31 9.332 -4.368 17.296 1.00355.97 C ATOM 470 O ILE A 31 9.235 -5.574 17.074 1.00355.97 O ATOM 471 CB ILE A 31 7.708 -3.116 15.798 1.00355.97 C ATOM 472 CG1 ILE A 31 7.059 -2.169 16.806 1.00355.97 C ATOM 473 CG2 ILE A 31 6.918 -4.415 15.640 1.00355.97 C ATOM 474 CD1 ILE A 31 6.529 -2.821 18.063 1.00355.97 C ATOM 0 H ILE A 31 9.503 -4.535 14.452 1.00355.97 H new ATOM 0 HA ILE A 31 9.632 -2.424 16.513 1.00355.97 H new ATOM 0 HB ILE A 31 7.684 -2.637 14.819 1.00355.97 H new ATOM 0 HG12 ILE A 31 7.790 -1.412 17.091 1.00355.97 H new ATOM 0 HG13 ILE A 31 6.238 -1.649 16.313 1.00355.97 H new ATOM 0 HG21 ILE A 31 5.882 -4.183 15.392 1.00355.97 H new ATOM 0 HG22 ILE A 31 7.357 -5.013 14.842 1.00355.97 H new ATOM 0 HG23 ILE A 31 6.950 -4.976 16.574 1.00355.97 H new ATOM 0 HD11 ILE A 31 6.090 -2.061 18.709 1.00355.97 H new ATOM 0 HD12 ILE A 31 5.769 -3.556 17.799 1.00355.97 H new ATOM 0 HD13 ILE A 31 7.346 -3.316 18.588 1.00355.97 H new ATOM 486 N PRO A 32 9.580 -3.893 18.539 1.00153.08 N ATOM 487 CA PRO A 32 9.748 -4.779 19.693 1.00153.08 C ATOM 488 C PRO A 32 8.547 -5.687 19.952 1.00153.08 C ATOM 489 O PRO A 32 7.396 -5.260 19.857 1.00153.08 O ATOM 490 CB PRO A 32 9.950 -3.820 20.871 1.00153.08 C ATOM 491 CG PRO A 32 10.426 -2.555 20.254 1.00153.08 C ATOM 492 CD PRO A 32 9.744 -2.475 18.920 1.00153.08 C ATOM 0 HA PRO A 32 10.578 -5.466 19.531 1.00153.08 H new ATOM 0 HB2 PRO A 32 9.021 -3.667 21.420 1.00153.08 H new ATOM 0 HB3 PRO A 32 10.679 -4.213 21.580 1.00153.08 H new ATOM 0 HG2 PRO A 32 10.173 -1.696 20.876 1.00153.08 H new ATOM 0 HG3 PRO A 32 11.510 -2.558 20.140 1.00153.08 H new ATOM 0 HD2 PRO A 32 8.784 -1.963 18.989 1.00153.08 H new ATOM 0 HD3 PRO A 32 10.345 -1.930 18.193 1.00153.08 H new ATOM 500 N SER A 33 8.838 -6.942 20.296 1.00 84.70 N ATOM 501 CA SER A 33 7.804 -7.928 20.593 1.00 84.70 C ATOM 502 C SER A 33 6.999 -7.521 21.823 1.00 84.70 C ATOM 503 O SER A 33 5.799 -7.782 21.908 1.00 84.70 O ATOM 504 CB SER A 33 8.439 -9.303 20.818 1.00 84.70 C ATOM 505 OG SER A 33 7.455 -10.322 20.849 1.00 84.70 O ATOM 0 H SER A 33 9.790 -7.300 20.376 1.00 84.70 H new ATOM 0 HA SER A 33 7.127 -7.979 19.740 1.00 84.70 H new ATOM 0 HB2 SER A 33 9.156 -9.510 20.023 1.00 84.70 H new ATOM 0 HB3 SER A 33 8.994 -9.301 21.756 1.00 84.70 H new ATOM 0 HG SER A 33 7.887 -11.190 20.992 1.00 84.70 H new ATOM 511 N GLU A 34 7.673 -6.880 22.776 1.00109.83 N ATOM 512 CA GLU A 34 7.026 -6.434 24.007 1.00109.83 C ATOM 513 C GLU A 34 5.884 -5.467 23.698 1.00109.83 C ATOM 514 O GLU A 34 4.941 -5.338 24.477 1.00109.83 O ATOM 515 CB GLU A 34 8.045 -5.770 24.937 1.00109.83 C ATOM 516 CG GLU A 34 7.506 -5.500 26.334 1.00109.83 C ATOM 517 CD GLU A 34 8.496 -4.764 27.218 1.00109.83 C ATOM 518 OE1 GLU A 34 9.572 -4.375 26.716 1.00109.83 O ATOM 519 OE2 GLU A 34 8.194 -4.572 28.415 1.00109.83 O ATOM 0 H GLU A 34 8.667 -6.658 22.719 1.00109.83 H new ATOM 0 HA GLU A 34 6.611 -7.308 24.510 1.00109.83 H new ATOM 0 HB2 GLU A 34 8.925 -6.408 25.013 1.00109.83 H new ATOM 0 HB3 GLU A 34 8.371 -4.829 24.494 1.00109.83 H new ATOM 0 HG2 GLU A 34 6.590 -4.914 26.257 1.00109.83 H new ATOM 0 HG3 GLU A 34 7.241 -6.447 26.805 1.00109.83 H new ATOM 526 N LYS A 35 5.973 -4.799 22.550 1.00 73.01 N ATOM 527 CA LYS A 35 4.944 -3.859 22.127 1.00 73.01 C ATOM 528 C LYS A 35 3.931 -4.541 21.218 1.00 73.01 C ATOM 529 O LYS A 35 2.772 -4.142 21.153 1.00 73.01 O ATOM 530 CB LYS A 35 5.598 -2.700 21.386 1.00 73.01 C ATOM 531 CG LYS A 35 6.480 -1.856 22.277 1.00 73.01 C ATOM 532 CD LYS A 35 5.633 -1.030 23.225 1.00 73.01 C ATOM 533 CE LYS A 35 6.481 -0.170 24.143 1.00 73.01 C ATOM 534 NZ LYS A 35 5.652 0.521 25.171 1.00 73.01 N ATOM 0 H LYS A 35 6.750 -4.893 21.896 1.00 73.01 H new ATOM 0 HA LYS A 35 4.421 -3.489 23.009 1.00 73.01 H new ATOM 0 HB2 LYS A 35 6.193 -3.092 20.561 1.00 73.01 H new ATOM 0 HB3 LYS A 35 4.823 -2.071 20.949 1.00 73.01 H new ATOM 0 HG2 LYS A 35 7.154 -2.497 22.845 1.00 73.01 H new ATOM 0 HG3 LYS A 35 7.102 -1.200 21.668 1.00 73.01 H new ATOM 0 HD2 LYS A 35 4.961 -0.393 22.649 1.00 73.01 H new ATOM 0 HD3 LYS A 35 5.008 -1.693 23.824 1.00 73.01 H new ATOM 0 HE2 LYS A 35 7.229 -0.791 24.636 1.00 73.01 H new ATOM 0 HE3 LYS A 35 7.021 0.570 23.553 1.00 73.01 H new ATOM 0 HZ1 LYS A 35 6.265 1.099 25.780 1.00 73.01 H new ATOM 0 HZ2 LYS A 35 4.955 1.133 24.701 1.00 73.01 H new ATOM 0 HZ3 LYS A 35 5.157 -0.186 25.750 1.00 73.01 H new ATOM 548 N SER A 36 4.377 -5.587 20.538 1.00 80.12 N ATOM 549 CA SER A 36 3.527 -6.354 19.644 1.00 80.12 C ATOM 550 C SER A 36 2.309 -6.906 20.379 1.00 80.12 C ATOM 551 O SER A 36 1.242 -7.081 19.794 1.00 80.12 O ATOM 552 CB SER A 36 4.345 -7.491 19.042 1.00 80.12 C ATOM 553 OG SER A 36 3.526 -8.418 18.359 1.00 80.12 O ATOM 0 H SER A 36 5.337 -5.926 20.591 1.00 80.12 H new ATOM 0 HA SER A 36 3.162 -5.700 18.852 1.00 80.12 H new ATOM 0 HB2 SER A 36 5.085 -7.082 18.354 1.00 80.12 H new ATOM 0 HB3 SER A 36 4.894 -8.003 19.832 1.00 80.12 H new ATOM 0 HG SER A 36 4.083 -9.132 17.984 1.00 80.12 H new ATOM 559 N GLU A 37 2.486 -7.190 21.665 1.00 42.03 N ATOM 560 CA GLU A 37 1.413 -7.738 22.485 1.00 42.03 C ATOM 561 C GLU A 37 0.225 -6.784 22.575 1.00 42.03 C ATOM 562 O GLU A 37 -0.929 -7.216 22.565 1.00 42.03 O ATOM 563 CB GLU A 37 1.943 -8.035 23.886 1.00 42.03 C ATOM 564 CG GLU A 37 3.067 -9.058 23.900 1.00 42.03 C ATOM 565 CD GLU A 37 3.559 -9.372 25.303 1.00 42.03 C ATOM 566 OE1 GLU A 37 3.049 -8.757 26.265 1.00 42.03 O ATOM 567 OE2 GLU A 37 4.447 -10.239 25.440 1.00 42.03 O ATOM 0 H GLU A 37 3.365 -7.049 22.163 1.00 42.03 H new ATOM 0 HA GLU A 37 1.065 -8.657 22.013 1.00 42.03 H new ATOM 0 HB2 GLU A 37 2.299 -7.108 24.336 1.00 42.03 H new ATOM 0 HB3 GLU A 37 1.124 -8.397 24.507 1.00 42.03 H new ATOM 0 HG2 GLU A 37 2.722 -9.977 23.427 1.00 42.03 H new ATOM 0 HG3 GLU A 37 3.899 -8.685 23.303 1.00 42.03 H new ATOM 574 N GLU A 38 0.504 -5.489 22.665 1.00 75.99 N ATOM 575 CA GLU A 38 -0.561 -4.491 22.759 1.00 75.99 C ATOM 576 C GLU A 38 -1.043 -4.012 21.395 1.00 75.99 C ATOM 577 O GLU A 38 -1.931 -3.160 21.312 1.00 75.99 O ATOM 578 CB GLU A 38 -0.116 -3.292 23.592 1.00 75.99 C ATOM 579 CG GLU A 38 1.093 -2.567 23.023 1.00 75.99 C ATOM 580 CD GLU A 38 1.469 -1.340 23.829 1.00 75.99 C ATOM 581 OE1 GLU A 38 0.592 -0.474 24.036 1.00 75.99 O ATOM 582 OE2 GLU A 38 2.640 -1.243 24.251 1.00 75.99 O ATOM 0 H GLU A 38 1.449 -5.105 22.675 1.00 75.99 H new ATOM 0 HA GLU A 38 -1.397 -4.988 23.251 1.00 75.99 H new ATOM 0 HB2 GLU A 38 -0.945 -2.589 23.673 1.00 75.99 H new ATOM 0 HB3 GLU A 38 0.116 -3.629 24.602 1.00 75.99 H new ATOM 0 HG2 GLU A 38 1.941 -3.251 22.992 1.00 75.99 H new ATOM 0 HG3 GLU A 38 0.884 -2.272 21.995 1.00 75.99 H new ATOM 589 N ILE A 39 -0.475 -4.552 20.333 1.00131.16 N ATOM 590 CA ILE A 39 -0.877 -4.160 18.993 1.00131.16 C ATOM 591 C ILE A 39 -2.030 -5.025 18.503 1.00131.16 C ATOM 592 O ILE A 39 -1.870 -5.879 17.632 1.00131.16 O ATOM 593 CB ILE A 39 0.317 -4.203 18.014 1.00131.16 C ATOM 594 CG1 ILE A 39 1.345 -3.164 18.455 1.00131.16 C ATOM 595 CG2 ILE A 39 -0.123 -3.935 16.576 1.00131.16 C ATOM 596 CD1 ILE A 39 2.622 -3.194 17.658 1.00131.16 C ATOM 0 H ILE A 39 0.260 -5.258 20.370 1.00131.16 H new ATOM 0 HA ILE A 39 -1.225 -3.128 19.033 1.00131.16 H new ATOM 0 HB ILE A 39 0.755 -5.201 18.035 1.00131.16 H new ATOM 0 HG12 ILE A 39 0.901 -2.172 18.375 1.00131.16 H new ATOM 0 HG13 ILE A 39 1.581 -3.324 19.507 1.00131.16 H new ATOM 0 HG21 ILE A 39 0.744 -3.974 15.917 1.00131.16 H new ATOM 0 HG22 ILE A 39 -0.845 -4.691 16.270 1.00131.16 H new ATOM 0 HG23 ILE A 39 -0.582 -2.948 16.514 1.00131.16 H new ATOM 0 HD11 ILE A 39 3.302 -2.428 18.031 1.00131.16 H new ATOM 0 HD12 ILE A 39 3.090 -4.173 17.757 1.00131.16 H new ATOM 0 HD13 ILE A 39 2.400 -3.003 16.608 1.00131.16 H new ATOM 608 N THR A 40 -3.199 -4.763 19.065 1.00160.31 N ATOM 609 CA THR A 40 -4.416 -5.478 18.692 1.00160.31 C ATOM 610 C THR A 40 -5.190 -4.726 17.597 1.00160.31 C ATOM 611 O THR A 40 -6.269 -5.143 17.182 1.00160.31 O ATOM 612 CB THR A 40 -5.335 -5.748 19.923 1.00160.31 C ATOM 613 OG1 THR A 40 -6.708 -5.846 19.522 1.00160.31 O ATOM 614 CG2 THR A 40 -5.197 -4.660 20.989 1.00160.31 C ATOM 0 H THR A 40 -3.334 -4.055 19.787 1.00160.31 H new ATOM 0 HA THR A 40 -4.105 -6.444 18.293 1.00160.31 H new ATOM 0 HB THR A 40 -5.012 -6.695 20.355 1.00160.31 H new ATOM 0 HG1 THR A 40 -6.755 -6.045 18.564 1.00160.31 H new ATOM 0 HG21 THR A 40 -5.854 -4.887 21.828 1.00160.31 H new ATOM 0 HG22 THR A 40 -4.165 -4.620 21.337 1.00160.31 H new ATOM 0 HG23 THR A 40 -5.474 -3.696 20.563 1.00160.31 H new ATOM 622 N THR A 41 -4.616 -3.620 17.135 1.00182.91 N ATOM 623 CA THR A 41 -5.210 -2.798 16.095 1.00182.91 C ATOM 624 C THR A 41 -4.147 -2.033 15.352 1.00182.91 C ATOM 625 O THR A 41 -3.124 -1.655 15.922 1.00182.91 O ATOM 626 CB THR A 41 -6.253 -1.784 16.643 1.00182.91 C ATOM 627 OG1 THR A 41 -6.336 -0.621 15.804 1.00182.91 O ATOM 628 CG2 THR A 41 -5.972 -1.344 18.078 1.00182.91 C ATOM 0 H THR A 41 -3.721 -3.270 17.476 1.00182.91 H new ATOM 0 HA THR A 41 -5.725 -3.488 15.427 1.00182.91 H new ATOM 0 HB THR A 41 -7.205 -2.316 16.639 1.00182.91 H new ATOM 0 HG1 THR A 41 -7.243 -0.252 15.845 1.00182.91 H new ATOM 0 HG21 THR A 41 -6.737 -0.637 18.398 1.00182.91 H new ATOM 0 HG22 THR A 41 -5.984 -2.214 18.734 1.00182.91 H new ATOM 0 HG23 THR A 41 -4.993 -0.866 18.127 1.00182.91 H new ATOM 636 N GLY A 42 -4.430 -1.736 14.089 1.00 66.60 N ATOM 637 CA GLY A 42 -3.511 -0.932 13.320 1.00 66.60 C ATOM 638 C GLY A 42 -3.370 0.419 13.994 1.00 66.60 C ATOM 639 O GLY A 42 -2.301 1.030 13.983 1.00 66.60 O ATOM 0 H GLY A 42 -5.269 -2.035 13.592 1.00 66.60 H new ATOM 0 HA2 GLY A 42 -2.541 -1.425 13.254 1.00 66.60 H new ATOM 0 HA3 GLY A 42 -3.877 -0.810 12.300 1.00 66.60 H new ATOM 643 N SER A 43 -4.464 0.844 14.646 1.00 41.24 N ATOM 644 CA SER A 43 -4.466 2.081 15.399 1.00 41.24 C ATOM 645 C SER A 43 -3.500 1.952 16.568 1.00 41.24 C ATOM 646 O SER A 43 -2.732 2.866 16.866 1.00 41.24 O ATOM 647 CB SER A 43 -5.872 2.406 15.905 1.00 41.24 C ATOM 648 OG SER A 43 -6.781 2.551 14.827 1.00 41.24 O ATOM 0 H SER A 43 -5.351 0.341 14.659 1.00 41.24 H new ATOM 0 HA SER A 43 -4.148 2.896 14.749 1.00 41.24 H new ATOM 0 HB2 SER A 43 -6.215 1.613 16.570 1.00 41.24 H new ATOM 0 HB3 SER A 43 -5.848 3.325 16.491 1.00 41.24 H new ATOM 0 HG SER A 43 -7.673 2.757 15.177 1.00 41.24 H new ATOM 654 N ALA A 44 -3.544 0.786 17.219 1.00 31.60 N ATOM 655 CA ALA A 44 -2.667 0.505 18.355 1.00 31.60 C ATOM 656 C ALA A 44 -1.215 0.486 17.920 1.00 31.60 C ATOM 657 O ALA A 44 -0.323 0.894 18.665 1.00 31.60 O ATOM 658 CB ALA A 44 -3.025 -0.826 18.991 1.00 31.60 C ATOM 0 H ALA A 44 -4.177 0.024 16.978 1.00 31.60 H new ATOM 0 HA ALA A 44 -2.806 1.299 19.089 1.00 31.60 H new ATOM 0 HB1 ALA A 44 -2.361 -1.017 19.834 1.00 31.60 H new ATOM 0 HB2 ALA A 44 -4.057 -0.796 19.341 1.00 31.60 H new ATOM 0 HB3 ALA A 44 -2.915 -1.622 18.255 1.00 31.60 H new ATOM 664 N TRP A 45 -0.990 0.014 16.703 1.00 71.86 N ATOM 665 CA TRP A 45 0.348 -0.060 16.150 1.00 71.86 C ATOM 666 C TRP A 45 0.782 1.307 15.710 1.00 71.86 C ATOM 667 O TRP A 45 1.814 1.809 16.143 1.00 71.86 O ATOM 668 CB TRP A 45 0.384 -1.003 14.960 1.00 71.86 C ATOM 669 CG TRP A 45 1.758 -1.223 14.429 1.00 71.86 C ATOM 670 CD1 TRP A 45 2.925 -1.308 15.138 1.00 71.86 C ATOM 671 CD2 TRP A 45 2.106 -1.382 13.062 1.00 71.86 C ATOM 672 NE1 TRP A 45 3.976 -1.502 14.278 1.00 71.86 N ATOM 673 CE2 TRP A 45 3.497 -1.549 12.998 1.00 71.86 C ATOM 674 CE3 TRP A 45 1.369 -1.396 11.884 1.00 71.86 C ATOM 675 CZ2 TRP A 45 4.168 -1.726 11.797 1.00 71.86 C ATOM 676 CZ3 TRP A 45 2.027 -1.577 10.693 1.00 71.86 C ATOM 677 CH2 TRP A 45 3.422 -1.737 10.649 1.00 71.86 C ATOM 0 H TRP A 45 -1.723 -0.324 16.079 1.00 71.86 H new ATOM 0 HA TRP A 45 1.022 -0.437 16.919 1.00 71.86 H new ATOM 0 HB2 TRP A 45 -0.044 -1.962 15.251 1.00 71.86 H new ATOM 0 HB3 TRP A 45 -0.246 -0.601 14.166 1.00 71.86 H new ATOM 0 HD1 TRP A 45 3.006 -1.234 16.212 1.00 71.86 H new ATOM 0 HE1 TRP A 45 4.955 -1.596 14.549 1.00 71.86 H new ATOM 0 HE3 TRP A 45 0.297 -1.267 11.905 1.00 71.86 H new ATOM 0 HZ2 TRP A 45 5.240 -1.851 11.768 1.00 71.86 H new ATOM 0 HZ3 TRP A 45 1.462 -1.597 9.773 1.00 71.86 H new ATOM 0 HH2 TRP A 45 3.913 -1.871 9.696 1.00 71.86 H new ATOM 688 N PHE A 46 -0.025 1.928 14.859 1.00 81.71 N ATOM 689 CA PHE A 46 0.277 3.258 14.389 1.00 81.71 C ATOM 690 C PHE A 46 0.448 4.202 15.568 1.00 81.71 C ATOM 691 O PHE A 46 1.333 5.037 15.566 1.00 81.71 O ATOM 692 CB PHE A 46 -0.837 3.766 13.492 1.00 81.71 C ATOM 693 CG PHE A 46 -0.943 3.043 12.187 1.00 81.71 C ATOM 694 CD1 PHE A 46 0.187 2.769 11.432 1.00 81.71 C ATOM 695 CD2 PHE A 46 -2.177 2.664 11.702 1.00 81.71 C ATOM 696 CE1 PHE A 46 0.077 2.135 10.207 1.00 81.71 C ATOM 697 CE2 PHE A 46 -2.292 2.028 10.485 1.00 81.71 C ATOM 698 CZ PHE A 46 -1.169 1.768 9.733 1.00 81.71 C ATOM 0 H PHE A 46 -0.886 1.528 14.487 1.00 81.71 H new ATOM 0 HA PHE A 46 1.205 3.220 13.819 1.00 81.71 H new ATOM 0 HB2 PHE A 46 -1.785 3.679 14.022 1.00 81.71 H new ATOM 0 HB3 PHE A 46 -0.678 4.826 13.297 1.00 81.71 H new ATOM 0 HD1 PHE A 46 1.161 3.053 11.803 1.00 81.71 H new ATOM 0 HD2 PHE A 46 -3.064 2.868 12.283 1.00 81.71 H new ATOM 0 HE1 PHE A 46 0.961 1.927 9.623 1.00 81.71 H new ATOM 0 HE2 PHE A 46 -3.265 1.733 10.121 1.00 81.71 H new ATOM 0 HZ PHE A 46 -1.261 1.278 8.775 1.00 81.71 H new ATOM 708 N SER A 47 -0.393 4.044 16.587 1.00 81.62 N ATOM 709 CA SER A 47 -0.288 4.887 17.772 1.00 81.62 C ATOM 710 C SER A 47 1.036 4.642 18.466 1.00 81.62 C ATOM 711 O SER A 47 1.706 5.582 18.892 1.00 81.62 O ATOM 712 CB SER A 47 -1.458 4.643 18.727 1.00 81.62 C ATOM 713 OG SER A 47 -2.691 5.002 18.129 1.00 81.62 O ATOM 0 H SER A 47 -1.142 3.352 16.616 1.00 81.62 H new ATOM 0 HA SER A 47 -0.331 5.930 17.459 1.00 81.62 H new ATOM 0 HB2 SER A 47 -1.483 3.592 19.015 1.00 81.62 H new ATOM 0 HB3 SER A 47 -1.312 5.220 19.640 1.00 81.62 H new ATOM 0 HG SER A 47 -3.158 4.193 17.832 1.00 81.62 H new ATOM 719 N PHE A 48 1.445 3.378 18.532 1.00 49.76 N ATOM 720 CA PHE A 48 2.722 3.045 19.119 1.00 49.76 C ATOM 721 C PHE A 48 3.820 3.628 18.218 1.00 49.76 C ATOM 722 O PHE A 48 4.729 4.317 18.679 1.00 49.76 O ATOM 723 CB PHE A 48 2.858 1.520 19.270 1.00 49.76 C ATOM 724 CG PHE A 48 4.277 1.078 19.220 1.00 49.76 C ATOM 725 CD1 PHE A 48 5.057 1.051 20.352 1.00 49.76 C ATOM 726 CD2 PHE A 48 4.833 0.767 18.009 1.00 49.76 C ATOM 727 CE1 PHE A 48 6.391 0.710 20.272 1.00 49.76 C ATOM 728 CE2 PHE A 48 6.157 0.420 17.913 1.00 49.76 C ATOM 729 CZ PHE A 48 6.945 0.393 19.048 1.00 49.76 C ATOM 0 H PHE A 48 0.911 2.580 18.188 1.00 49.76 H new ATOM 0 HA PHE A 48 2.812 3.470 20.119 1.00 49.76 H new ATOM 0 HB2 PHE A 48 2.415 1.209 20.216 1.00 49.76 H new ATOM 0 HB3 PHE A 48 2.297 1.026 18.477 1.00 49.76 H new ATOM 0 HD1 PHE A 48 4.623 1.298 21.309 1.00 49.76 H new ATOM 0 HD2 PHE A 48 4.223 0.795 17.118 1.00 49.76 H new ATOM 0 HE1 PHE A 48 7.000 0.691 21.164 1.00 49.76 H new ATOM 0 HE2 PHE A 48 6.582 0.169 16.953 1.00 49.76 H new ATOM 0 HZ PHE A 48 7.989 0.125 18.978 1.00 49.76 H new ATOM 739 N LEU A 49 3.695 3.342 16.921 1.00 52.14 N ATOM 740 CA LEU A 49 4.630 3.825 15.912 1.00 52.14 C ATOM 741 C LEU A 49 4.730 5.352 15.999 1.00 52.14 C ATOM 742 O LEU A 49 5.822 5.922 15.992 1.00 52.14 O ATOM 743 CB LEU A 49 4.125 3.394 14.522 1.00 52.14 C ATOM 744 CG LEU A 49 4.992 2.382 13.755 1.00 52.14 C ATOM 745 CD1 LEU A 49 5.462 1.261 14.671 1.00 52.14 C ATOM 746 CD2 LEU A 49 4.210 1.810 12.583 1.00 52.14 C ATOM 0 H LEU A 49 2.941 2.768 16.544 1.00 52.14 H new ATOM 0 HA LEU A 49 5.621 3.403 16.080 1.00 52.14 H new ATOM 0 HB2 LEU A 49 3.128 2.968 14.639 1.00 52.14 H new ATOM 0 HB3 LEU A 49 4.020 4.287 13.906 1.00 52.14 H new ATOM 0 HG LEU A 49 5.872 2.902 13.377 1.00 52.14 H new ATOM 0 HD11 LEU A 49 6.073 0.559 14.103 1.00 52.14 H new ATOM 0 HD12 LEU A 49 6.053 1.680 15.485 1.00 52.14 H new ATOM 0 HD13 LEU A 49 4.597 0.740 15.081 1.00 52.14 H new ATOM 0 HD21 LEU A 49 4.832 1.094 12.045 1.00 52.14 H new ATOM 0 HD22 LEU A 49 3.316 1.308 12.953 1.00 52.14 H new ATOM 0 HD23 LEU A 49 3.921 2.617 11.910 1.00 52.14 H new ATOM 758 N GLU A 50 3.566 6.002 16.106 1.00 63.10 N ATOM 759 CA GLU A 50 3.500 7.459 16.224 1.00 63.10 C ATOM 760 C GLU A 50 4.168 7.912 17.507 1.00 63.10 C ATOM 761 O GLU A 50 4.923 8.885 17.523 1.00 63.10 O ATOM 762 CB GLU A 50 2.051 7.964 16.204 1.00 63.10 C ATOM 763 CG GLU A 50 1.401 7.948 14.829 1.00 63.10 C ATOM 764 CD GLU A 50 0.018 8.576 14.827 1.00 63.10 C ATOM 765 OE1 GLU A 50 -0.484 8.922 15.919 1.00 63.10 O ATOM 766 OE2 GLU A 50 -0.566 8.723 13.732 1.00 63.10 O ATOM 0 H GLU A 50 2.657 5.540 16.113 1.00 63.10 H new ATOM 0 HA GLU A 50 4.023 7.879 15.365 1.00 63.10 H new ATOM 0 HB2 GLU A 50 1.456 7.352 16.881 1.00 63.10 H new ATOM 0 HB3 GLU A 50 2.028 8.982 16.592 1.00 63.10 H new ATOM 0 HG2 GLU A 50 2.039 8.481 14.124 1.00 63.10 H new ATOM 0 HG3 GLU A 50 1.329 6.919 14.478 1.00 63.10 H new ATOM 773 N SER A 51 3.895 7.185 18.584 1.00 75.02 N ATOM 774 CA SER A 51 4.482 7.494 19.885 1.00 75.02 C ATOM 775 C SER A 51 6.007 7.449 19.804 1.00 75.02 C ATOM 776 O SER A 51 6.703 8.159 20.530 1.00 75.02 O ATOM 777 CB SER A 51 3.975 6.517 20.948 1.00 75.02 C ATOM 778 OG SER A 51 2.559 6.540 21.029 1.00 75.02 O ATOM 0 H SER A 51 3.272 6.378 18.584 1.00 75.02 H new ATOM 0 HA SER A 51 4.179 8.501 20.170 1.00 75.02 H new ATOM 0 HB2 SER A 51 4.312 5.508 20.710 1.00 75.02 H new ATOM 0 HB3 SER A 51 4.402 6.775 21.917 1.00 75.02 H new ATOM 0 HG SER A 51 2.185 5.883 20.406 1.00 75.02 H new ATOM 784 N HIS A 52 6.513 6.622 18.893 1.00122.90 N ATOM 785 CA HIS A 52 7.945 6.486 18.679 1.00122.90 C ATOM 786 C HIS A 52 8.327 7.194 17.391 1.00122.90 C ATOM 787 O HIS A 52 7.489 7.832 16.753 1.00122.90 O ATOM 788 CB HIS A 52 8.327 5.009 18.599 1.00122.90 C ATOM 789 CG HIS A 52 8.116 4.278 19.878 1.00122.90 C ATOM 790 ND1 HIS A 52 9.080 3.502 20.486 1.00122.90 N ATOM 791 CD2 HIS A 52 7.028 4.213 20.663 1.00122.90 C ATOM 792 CE1 HIS A 52 8.586 2.990 21.599 1.00122.90 C ATOM 793 NE2 HIS A 52 7.339 3.408 21.730 1.00122.90 N ATOM 0 H HIS A 52 5.943 6.032 18.287 1.00122.90 H new ATOM 0 HA HIS A 52 8.481 6.937 19.514 1.00122.90 H new ATOM 0 HB2 HIS A 52 7.741 4.531 17.814 1.00122.90 H new ATOM 0 HB3 HIS A 52 9.375 4.927 18.310 1.00122.90 H new ATOM 0 HD2 HIS A 52 6.082 4.704 20.487 1.00122.90 H new ATOM 0 HE1 HIS A 52 9.111 2.341 22.284 1.00122.90 H new ATOM 0 HE2 HIS A 52 6.711 3.171 22.498 1.00122.90 H new ATOM 801 N ASN A 53 9.588 7.086 17.005 1.00225.56 N ATOM 802 CA ASN A 53 10.058 7.724 15.785 1.00225.56 C ATOM 803 C ASN A 53 9.966 6.785 14.582 1.00225.56 C ATOM 804 O ASN A 53 10.764 6.881 13.650 1.00225.56 O ATOM 805 CB ASN A 53 11.486 8.235 15.967 1.00225.56 C ATOM 806 CG ASN A 53 12.470 7.125 16.258 1.00225.56 C ATOM 807 OD1 ASN A 53 12.130 6.123 16.885 1.00225.56 O ATOM 808 ND2 ASN A 53 13.701 7.300 15.807 1.00225.56 N ATOM 0 H ASN A 53 10.302 6.566 17.515 1.00225.56 H new ATOM 0 HA ASN A 53 9.406 8.573 15.583 1.00225.56 H new ATOM 0 HB2 ASN A 53 11.796 8.763 15.065 1.00225.56 H new ATOM 0 HB3 ASN A 53 11.508 8.958 16.783 1.00225.56 H new ATOM 0 HD21 ASN A 53 14.412 6.588 15.975 1.00225.56 H new ATOM 0 HD22 ASN A 53 13.940 8.147 15.291 1.00225.56 H new ATOM 815 N LYS A 54 8.990 5.878 14.606 1.00217.59 N ATOM 816 CA LYS A 54 8.801 4.930 13.519 1.00217.59 C ATOM 817 C LYS A 54 7.770 5.422 12.514 1.00217.59 C ATOM 818 O LYS A 54 7.684 4.892 11.409 1.00217.59 O ATOM 819 CB LYS A 54 8.298 3.602 14.071 1.00217.59 C ATOM 820 CG LYS A 54 9.138 3.051 15.201 1.00217.59 C ATOM 821 CD LYS A 54 10.580 2.869 14.769 1.00217.59 C ATOM 822 CE LYS A 54 11.462 3.969 15.323 1.00217.59 C ATOM 823 NZ LYS A 54 12.863 3.511 15.553 1.00217.59 N ATOM 0 H LYS A 54 8.320 5.783 15.369 1.00217.59 H new ATOM 0 HA LYS A 54 9.766 4.816 13.025 1.00217.59 H new ATOM 0 HB2 LYS A 54 7.274 3.730 14.422 1.00217.59 H new ATOM 0 HB3 LYS A 54 8.269 2.871 13.263 1.00217.59 H new ATOM 0 HG2 LYS A 54 9.093 3.727 16.055 1.00217.59 H new ATOM 0 HG3 LYS A 54 8.730 2.095 15.529 1.00217.59 H new ATOM 0 HD2 LYS A 54 10.945 1.900 15.110 1.00217.59 H new ATOM 0 HD3 LYS A 54 10.639 2.866 13.681 1.00217.59 H new ATOM 0 HE2 LYS A 54 11.467 4.811 14.631 1.00217.59 H new ATOM 0 HE3 LYS A 54 11.042 4.330 16.262 1.00217.59 H new ATOM 0 HZ1 LYS A 54 13.353 4.189 16.171 1.00217.59 H new ATOM 0 HZ2 LYS A 54 12.852 2.575 16.006 1.00217.59 H new ATOM 0 HZ3 LYS A 54 13.362 3.449 14.643 1.00217.59 H new ATOM 837 N LEU A 55 6.971 6.417 12.887 1.00 97.75 N ATOM 838 CA LEU A 55 5.950 6.898 11.972 1.00 97.75 C ATOM 839 C LEU A 55 5.500 8.323 12.248 1.00 97.75 C ATOM 840 O LEU A 55 4.735 8.596 13.173 1.00 97.75 O ATOM 841 CB LEU A 55 4.752 5.974 12.027 1.00 97.75 C ATOM 842 CG LEU A 55 3.608 6.360 11.099 1.00 97.75 C ATOM 843 CD1 LEU A 55 2.906 5.121 10.563 1.00 97.75 C ATOM 844 CD2 LEU A 55 2.631 7.257 11.839 1.00 97.75 C ATOM 0 H LEU A 55 7.009 6.892 13.789 1.00 97.75 H new ATOM 0 HA LEU A 55 6.400 6.902 10.979 1.00 97.75 H new ATOM 0 HB2 LEU A 55 5.078 4.964 11.779 1.00 97.75 H new ATOM 0 HB3 LEU A 55 4.378 5.946 13.051 1.00 97.75 H new ATOM 0 HG LEU A 55 4.013 6.906 10.247 1.00 97.75 H new ATOM 0 HD11 LEU A 55 2.092 5.421 9.902 1.00 97.75 H new ATOM 0 HD12 LEU A 55 3.618 4.511 10.008 1.00 97.75 H new ATOM 0 HD13 LEU A 55 2.504 4.542 11.395 1.00 97.75 H new ATOM 0 HD21 LEU A 55 1.813 7.532 11.173 1.00 97.75 H new ATOM 0 HD22 LEU A 55 2.232 6.726 12.703 1.00 97.75 H new ATOM 0 HD23 LEU A 55 3.146 8.158 12.173 1.00 97.75 H new ATOM 856 N ASP A 56 5.946 9.204 11.374 1.00109.16 N ATOM 857 CA ASP A 56 5.578 10.611 11.409 1.00109.16 C ATOM 858 C ASP A 56 4.251 10.800 10.680 1.00109.16 C ATOM 859 O ASP A 56 3.606 9.824 10.309 1.00109.16 O ATOM 860 CB ASP A 56 6.675 11.460 10.767 1.00109.16 C ATOM 861 CG ASP A 56 7.994 11.351 11.509 1.00109.16 C ATOM 862 OD1 ASP A 56 7.980 10.943 12.689 1.00109.16 O ATOM 863 OD2 ASP A 56 9.043 11.669 10.908 1.00109.16 O ATOM 0 H ASP A 56 6.580 8.964 10.612 1.00109.16 H new ATOM 0 HA ASP A 56 5.465 10.934 12.444 1.00109.16 H new ATOM 0 HB2 ASP A 56 6.815 11.147 9.732 1.00109.16 H new ATOM 0 HB3 ASP A 56 6.358 12.503 10.744 1.00109.16 H new ATOM 868 N LYS A 57 3.865 12.045 10.434 1.00 65.03 N ATOM 869 CA LYS A 57 2.630 12.313 9.701 1.00 65.03 C ATOM 870 C LYS A 57 2.852 12.143 8.195 1.00 65.03 C ATOM 871 O LYS A 57 1.903 11.938 7.441 1.00 65.03 O ATOM 872 CB LYS A 57 2.076 13.711 10.003 1.00 65.03 C ATOM 873 CG LYS A 57 3.130 14.793 10.130 1.00 65.03 C ATOM 874 CD LYS A 57 4.040 14.826 8.921 1.00 65.03 C ATOM 875 CE LYS A 57 4.614 16.209 8.675 1.00 65.03 C ATOM 876 NZ LYS A 57 5.222 16.782 9.907 1.00 65.03 N ATOM 0 H LYS A 57 4.379 12.876 10.726 1.00 65.03 H new ATOM 0 HA LYS A 57 1.889 11.587 10.036 1.00 65.03 H new ATOM 0 HB2 LYS A 57 1.380 13.991 9.212 1.00 65.03 H new ATOM 0 HB3 LYS A 57 1.504 13.669 10.930 1.00 65.03 H new ATOM 0 HG2 LYS A 57 2.645 15.762 10.248 1.00 65.03 H new ATOM 0 HG3 LYS A 57 3.723 14.621 11.028 1.00 65.03 H new ATOM 0 HD2 LYS A 57 4.855 14.116 9.062 1.00 65.03 H new ATOM 0 HD3 LYS A 57 3.484 14.503 8.041 1.00 65.03 H new ATOM 0 HE2 LYS A 57 5.367 16.155 7.889 1.00 65.03 H new ATOM 0 HE3 LYS A 57 3.826 16.871 8.317 1.00 65.03 H new ATOM 0 HZ1 LYS A 57 5.791 17.616 9.658 1.00 65.03 H new ATOM 0 HZ2 LYS A 57 4.469 17.061 10.568 1.00 65.03 H new ATOM 0 HZ3 LYS A 57 5.831 16.069 10.357 1.00 65.03 H new ATOM 890 N ASP A 58 4.112 12.225 7.760 1.00165.72 N ATOM 891 CA ASP A 58 4.448 12.071 6.351 1.00165.72 C ATOM 892 C ASP A 58 5.344 10.851 6.113 1.00165.72 C ATOM 893 O ASP A 58 5.487 10.393 4.979 1.00165.72 O ATOM 894 CB ASP A 58 5.150 13.324 5.821 1.00165.72 C ATOM 895 CG ASP A 58 4.219 14.516 5.716 1.00165.72 C ATOM 896 OD1 ASP A 58 2.994 14.304 5.602 1.00165.72 O ATOM 897 OD2 ASP A 58 4.716 15.661 5.742 1.00165.72 O ATOM 0 H ASP A 58 4.913 12.397 8.367 1.00165.72 H new ATOM 0 HA ASP A 58 3.511 11.923 5.814 1.00165.72 H new ATOM 0 HB2 ASP A 58 5.982 13.575 6.479 1.00165.72 H new ATOM 0 HB3 ASP A 58 5.573 13.111 4.839 1.00165.72 H new ATOM 902 N ASN A 59 5.964 10.334 7.178 1.00 98.89 N ATOM 903 CA ASN A 59 6.856 9.183 7.052 1.00 98.89 C ATOM 904 C ASN A 59 6.113 7.872 7.241 1.00 98.89 C ATOM 905 O ASN A 59 5.719 7.508 8.349 1.00 98.89 O ATOM 906 CB ASN A 59 8.005 9.280 8.057 1.00 98.89 C ATOM 907 CG ASN A 59 8.970 10.401 7.719 1.00 98.89 C ATOM 908 OD1 ASN A 59 10.125 10.158 7.371 1.00 98.89 O ATOM 909 ND2 ASN A 59 8.498 11.638 7.810 1.00 98.89 N ATOM 0 H ASN A 59 5.865 10.692 8.128 1.00 98.89 H new ATOM 0 HA ASN A 59 7.262 9.197 6.041 1.00 98.89 H new ATOM 0 HB2 ASN A 59 7.599 9.441 9.056 1.00 98.89 H new ATOM 0 HB3 ASN A 59 8.545 8.333 8.081 1.00 98.89 H new ATOM 0 HD21 ASN A 59 9.100 12.431 7.587 1.00 98.89 H new ATOM 0 HD22 ASN A 59 7.534 11.796 8.103 1.00 98.89 H new ATOM 916 N LEU A 60 5.956 7.162 6.136 1.00196.24 N ATOM 917 CA LEU A 60 5.297 5.866 6.121 1.00196.24 C ATOM 918 C LEU A 60 6.183 4.826 5.430 1.00196.24 C ATOM 919 O LEU A 60 5.736 3.718 5.140 1.00196.24 O ATOM 920 CB LEU A 60 3.963 5.958 5.383 1.00196.24 C ATOM 921 CG LEU A 60 3.962 6.905 4.176 1.00196.24 C ATOM 922 CD1 LEU A 60 3.210 6.295 3.004 1.00196.24 C ATOM 923 CD2 LEU A 60 3.366 8.246 4.565 1.00196.24 C ATOM 0 H LEU A 60 6.283 7.469 5.220 1.00196.24 H new ATOM 0 HA LEU A 60 5.120 5.562 7.153 1.00196.24 H new ATOM 0 HB2 LEU A 60 3.681 4.961 5.045 1.00196.24 H new ATOM 0 HB3 LEU A 60 3.197 6.286 6.085 1.00196.24 H new ATOM 0 HG LEU A 60 4.993 7.062 3.860 1.00196.24 H new ATOM 0 HD11 LEU A 60 3.225 6.987 2.162 1.00196.24 H new ATOM 0 HD12 LEU A 60 3.687 5.359 2.713 1.00196.24 H new ATOM 0 HD13 LEU A 60 2.178 6.100 3.296 1.00196.24 H new ATOM 0 HD21 LEU A 60 3.370 8.910 3.701 1.00196.24 H new ATOM 0 HD22 LEU A 60 2.341 8.103 4.908 1.00196.24 H new ATOM 0 HD23 LEU A 60 3.958 8.689 5.366 1.00196.24 H new ATOM 935 N SER A 61 7.433 5.196 5.136 1.00 66.14 N ATOM 936 CA SER A 61 8.350 4.292 4.449 1.00 66.14 C ATOM 937 C SER A 61 8.525 2.974 5.199 1.00 66.14 C ATOM 938 O SER A 61 8.549 1.907 4.587 1.00 66.14 O ATOM 939 CB SER A 61 9.707 4.966 4.252 1.00 66.14 C ATOM 940 OG SER A 61 9.555 6.272 3.724 1.00 66.14 O ATOM 0 H SER A 61 7.828 6.109 5.362 1.00 66.14 H new ATOM 0 HA SER A 61 7.913 4.062 3.477 1.00 66.14 H new ATOM 0 HB2 SER A 61 10.234 5.014 5.205 1.00 66.14 H new ATOM 0 HB3 SER A 61 10.320 4.367 3.579 1.00 66.14 H new ATOM 0 HG SER A 61 10.437 6.683 3.609 1.00 66.14 H new ATOM 946 N TYR A 62 8.644 3.045 6.520 1.00 59.69 N ATOM 947 CA TYR A 62 8.809 1.844 7.321 1.00 59.69 C ATOM 948 C TYR A 62 7.525 1.017 7.326 1.00 59.69 C ATOM 949 O TYR A 62 7.579 -0.201 7.240 1.00 59.69 O ATOM 950 CB TYR A 62 9.255 2.211 8.757 1.00 59.69 C ATOM 951 CG TYR A 62 8.772 1.261 9.846 1.00 59.69 C ATOM 952 CD1 TYR A 62 9.031 -0.104 9.791 1.00 59.69 C ATOM 953 CD2 TYR A 62 8.021 1.740 10.903 1.00 59.69 C ATOM 954 CE1 TYR A 62 8.552 -0.955 10.768 1.00 59.69 C ATOM 955 CE2 TYR A 62 7.546 0.900 11.883 1.00 59.69 C ATOM 956 CZ TYR A 62 7.812 -0.448 11.813 1.00 59.69 C ATOM 957 OH TYR A 62 7.334 -1.290 12.789 1.00 59.69 O ATOM 0 H TYR A 62 8.629 3.915 7.053 1.00 59.69 H new ATOM 0 HA TYR A 62 9.592 1.230 6.875 1.00 59.69 H new ATOM 0 HB2 TYR A 62 10.344 2.247 8.785 1.00 59.69 H new ATOM 0 HB3 TYR A 62 8.897 3.215 8.987 1.00 59.69 H new ATOM 0 HD1 TYR A 62 9.614 -0.504 8.974 1.00 59.69 H new ATOM 0 HD2 TYR A 62 7.803 2.796 10.961 1.00 59.69 H new ATOM 0 HE1 TYR A 62 8.757 -2.014 10.713 1.00 59.69 H new ATOM 0 HE2 TYR A 62 6.967 1.297 12.704 1.00 59.69 H new ATOM 0 HH TYR A 62 7.093 -2.151 12.389 1.00 59.69 H new ATOM 967 N ILE A 63 6.382 1.678 7.445 1.00 95.89 N ATOM 968 CA ILE A 63 5.107 0.976 7.483 1.00 95.89 C ATOM 969 C ILE A 63 4.766 0.421 6.117 1.00 95.89 C ATOM 970 O ILE A 63 4.393 -0.744 5.977 1.00 95.89 O ATOM 971 CB ILE A 63 3.968 1.883 8.011 1.00 95.89 C ATOM 972 CG1 ILE A 63 3.432 2.856 6.950 1.00 95.89 C ATOM 973 CG2 ILE A 63 4.444 2.679 9.220 1.00 95.89 C ATOM 974 CD1 ILE A 63 2.190 3.571 7.402 1.00 95.89 C ATOM 0 H ILE A 63 6.311 2.693 7.516 1.00 95.89 H new ATOM 0 HA ILE A 63 5.208 0.144 8.180 1.00 95.89 H new ATOM 0 HB ILE A 63 3.151 1.217 8.289 1.00 95.89 H new ATOM 0 HG12 ILE A 63 4.203 3.589 6.711 1.00 95.89 H new ATOM 0 HG13 ILE A 63 3.218 2.307 6.033 1.00 95.89 H new ATOM 0 HG21 ILE A 63 3.633 3.312 9.581 1.00 95.89 H new ATOM 0 HG22 ILE A 63 4.748 1.993 10.011 1.00 95.89 H new ATOM 0 HG23 ILE A 63 5.292 3.302 8.935 1.00 95.89 H new ATOM 0 HD11 ILE A 63 1.852 4.246 6.616 1.00 95.89 H new ATOM 0 HD12 ILE A 63 1.408 2.842 7.615 1.00 95.89 H new ATOM 0 HD13 ILE A 63 2.408 4.144 8.303 1.00 95.89 H new ATOM 986 N GLU A 64 4.930 1.259 5.106 1.00 77.41 N ATOM 987 CA GLU A 64 4.681 0.855 3.730 1.00 77.41 C ATOM 988 C GLU A 64 5.490 -0.401 3.419 1.00 77.41 C ATOM 989 O GLU A 64 5.073 -1.249 2.629 1.00 77.41 O ATOM 990 CB GLU A 64 5.059 1.981 2.767 1.00 77.41 C ATOM 991 CG GLU A 64 4.662 1.709 1.326 1.00 77.41 C ATOM 992 CD GLU A 64 5.160 2.776 0.364 1.00 77.41 C ATOM 993 OE1 GLU A 64 5.837 3.723 0.820 1.00 77.41 O ATOM 994 OE2 GLU A 64 4.869 2.663 -0.845 1.00 77.41 O ATOM 0 H GLU A 64 5.235 2.226 5.212 1.00 77.41 H new ATOM 0 HA GLU A 64 3.619 0.641 3.605 1.00 77.41 H new ATOM 0 HB2 GLU A 64 4.584 2.905 3.097 1.00 77.41 H new ATOM 0 HB3 GLU A 64 6.136 2.142 2.814 1.00 77.41 H new ATOM 0 HG2 GLU A 64 5.057 0.740 1.022 1.00 77.41 H new ATOM 0 HG3 GLU A 64 3.576 1.645 1.259 1.00 77.41 H new ATOM 1001 N HIS A 65 6.635 -0.525 4.092 1.00 68.54 N ATOM 1002 CA HIS A 65 7.485 -1.693 3.934 1.00 68.54 C ATOM 1003 C HIS A 65 6.806 -2.900 4.547 1.00 68.54 C ATOM 1004 O HIS A 65 6.803 -3.981 3.969 1.00 68.54 O ATOM 1005 CB HIS A 65 8.851 -1.436 4.580 1.00 68.54 C ATOM 1006 CG HIS A 65 9.717 -2.651 4.727 1.00 68.54 C ATOM 1007 ND1 HIS A 65 10.413 -3.219 3.684 1.00 68.54 N ATOM 1008 CD2 HIS A 65 9.987 -3.403 5.818 1.00 68.54 C ATOM 1009 CE1 HIS A 65 11.079 -4.272 4.127 1.00 68.54 C ATOM 1010 NE2 HIS A 65 10.839 -4.405 5.419 1.00 68.54 N ATOM 0 H HIS A 65 6.989 0.170 4.749 1.00 68.54 H new ATOM 0 HA HIS A 65 7.646 -1.891 2.874 1.00 68.54 H new ATOM 0 HB2 HIS A 65 9.385 -0.696 3.984 1.00 68.54 H new ATOM 0 HB3 HIS A 65 8.694 -0.998 5.566 1.00 68.54 H new ATOM 0 HD2 HIS A 65 9.605 -3.246 6.816 1.00 68.54 H new ATOM 0 HE1 HIS A 65 11.712 -4.914 3.533 1.00 68.54 H new ATOM 0 HE2 HIS A 65 11.223 -5.132 6.022 1.00 68.54 H new ATOM 1018 N ILE A 66 6.220 -2.692 5.719 1.00 44.28 N ATOM 1019 CA ILE A 66 5.515 -3.749 6.424 1.00 44.28 C ATOM 1020 C ILE A 66 4.388 -4.270 5.563 1.00 44.28 C ATOM 1021 O ILE A 66 4.259 -5.472 5.330 1.00 44.28 O ATOM 1022 CB ILE A 66 4.959 -3.217 7.755 1.00 44.28 C ATOM 1023 CG1 ILE A 66 6.112 -2.636 8.569 1.00 44.28 C ATOM 1024 CG2 ILE A 66 4.217 -4.303 8.527 1.00 44.28 C ATOM 1025 CD1 ILE A 66 7.279 -3.569 8.735 1.00 44.28 C ATOM 0 H ILE A 66 6.221 -1.794 6.202 1.00 44.28 H new ATOM 0 HA ILE A 66 6.209 -4.562 6.635 1.00 44.28 H new ATOM 0 HB ILE A 66 4.229 -2.433 7.554 1.00 44.28 H new ATOM 0 HG12 ILE A 66 6.458 -1.721 8.087 1.00 44.28 H new ATOM 0 HG13 ILE A 66 5.741 -2.356 9.555 1.00 44.28 H new ATOM 0 HG21 ILE A 66 3.838 -3.890 9.462 1.00 44.28 H new ATOM 0 HG22 ILE A 66 3.383 -4.670 7.928 1.00 44.28 H new ATOM 0 HG23 ILE A 66 4.898 -5.126 8.743 1.00 44.28 H new ATOM 0 HD11 ILE A 66 8.055 -3.080 9.325 1.00 44.28 H new ATOM 0 HD12 ILE A 66 6.951 -4.474 9.246 1.00 44.28 H new ATOM 0 HD13 ILE A 66 7.679 -3.830 7.755 1.00 44.28 H new ATOM 1037 N PHE A 67 3.593 -3.340 5.072 1.00103.95 N ATOM 1038 CA PHE A 67 2.490 -3.678 4.204 1.00103.95 C ATOM 1039 C PHE A 67 3.011 -4.346 2.926 1.00103.95 C ATOM 1040 O PHE A 67 2.336 -5.193 2.342 1.00103.95 O ATOM 1041 CB PHE A 67 1.685 -2.419 3.896 1.00103.95 C ATOM 1042 CG PHE A 67 1.210 -1.751 5.151 1.00103.95 C ATOM 1043 CD1 PHE A 67 0.521 -2.477 6.107 1.00103.95 C ATOM 1044 CD2 PHE A 67 1.482 -0.416 5.395 1.00103.95 C ATOM 1045 CE1 PHE A 67 0.107 -1.887 7.281 1.00103.95 C ATOM 1046 CE2 PHE A 67 1.061 0.186 6.569 1.00103.95 C ATOM 1047 CZ PHE A 67 0.376 -0.556 7.514 1.00103.95 C ATOM 0 H PHE A 67 3.693 -2.343 5.262 1.00103.95 H new ATOM 0 HA PHE A 67 1.831 -4.391 4.700 1.00103.95 H new ATOM 0 HB2 PHE A 67 2.299 -1.724 3.323 1.00103.95 H new ATOM 0 HB3 PHE A 67 0.829 -2.677 3.273 1.00103.95 H new ATOM 0 HD1 PHE A 67 0.305 -3.520 5.930 1.00103.95 H new ATOM 0 HD2 PHE A 67 2.027 0.161 4.663 1.00103.95 H new ATOM 0 HE1 PHE A 67 -0.428 -2.467 8.018 1.00103.95 H new ATOM 0 HE2 PHE A 67 1.267 1.231 6.746 1.00103.95 H new ATOM 0 HZ PHE A 67 0.052 -0.092 8.434 1.00103.95 H new ATOM 1057 N GLU A 68 4.230 -3.969 2.503 1.00 76.40 N ATOM 1058 CA GLU A 68 4.835 -4.554 1.306 1.00 76.40 C ATOM 1059 C GLU A 68 5.369 -5.952 1.584 1.00 76.40 C ATOM 1060 O GLU A 68 5.066 -6.898 0.857 1.00 76.40 O ATOM 1061 CB GLU A 68 5.986 -3.684 0.790 1.00 76.40 C ATOM 1062 CG GLU A 68 6.598 -4.210 -0.500 1.00 76.40 C ATOM 1063 CD GLU A 68 7.808 -3.412 -0.950 1.00 76.40 C ATOM 1064 OE1 GLU A 68 8.231 -2.498 -0.208 1.00 76.40 O ATOM 1065 OE2 GLU A 68 8.335 -3.700 -2.046 1.00 76.40 O ATOM 0 H GLU A 68 4.806 -3.269 2.970 1.00 76.40 H new ATOM 0 HA GLU A 68 4.051 -4.610 0.550 1.00 76.40 H new ATOM 0 HB2 GLU A 68 5.622 -2.670 0.626 1.00 76.40 H new ATOM 0 HB3 GLU A 68 6.760 -3.625 1.555 1.00 76.40 H new ATOM 0 HG2 GLU A 68 6.888 -5.251 -0.360 1.00 76.40 H new ATOM 0 HG3 GLU A 68 5.844 -4.192 -1.287 1.00 76.40 H new ATOM 1072 N ILE A 69 6.178 -6.077 2.631 1.00 33.63 N ATOM 1073 CA ILE A 69 6.757 -7.362 2.977 1.00 33.63 C ATOM 1074 C ILE A 69 5.671 -8.356 3.348 1.00 33.63 C ATOM 1075 O ILE A 69 5.774 -9.548 3.059 1.00 33.63 O ATOM 1076 CB ILE A 69 7.762 -7.244 4.122 1.00 33.63 C ATOM 1077 CG1 ILE A 69 7.090 -6.728 5.391 1.00 33.63 C ATOM 1078 CG2 ILE A 69 8.929 -6.353 3.714 1.00 33.63 C ATOM 1079 CD1 ILE A 69 8.058 -6.514 6.532 1.00 33.63 C ATOM 0 H ILE A 69 6.443 -5.309 3.248 1.00 33.63 H new ATOM 0 HA ILE A 69 7.289 -7.721 2.096 1.00 33.63 H new ATOM 0 HB ILE A 69 8.153 -8.238 4.340 1.00 33.63 H new ATOM 0 HG12 ILE A 69 6.585 -5.788 5.170 1.00 33.63 H new ATOM 0 HG13 ILE A 69 6.323 -7.437 5.702 1.00 33.63 H new ATOM 0 HG21 ILE A 69 9.636 -6.279 4.540 1.00 33.63 H new ATOM 0 HG22 ILE A 69 9.429 -6.783 2.846 1.00 33.63 H new ATOM 0 HG23 ILE A 69 8.558 -5.359 3.464 1.00 33.63 H new ATOM 0 HD11 ILE A 69 7.517 -6.147 7.404 1.00 33.63 H new ATOM 0 HD12 ILE A 69 8.545 -7.458 6.778 1.00 33.63 H new ATOM 0 HD13 ILE A 69 8.811 -5.783 6.238 1.00 33.63 H new ATOM 1091 N SER A 70 4.613 -7.844 3.956 1.00 80.34 N ATOM 1092 CA SER A 70 3.480 -8.670 4.331 1.00 80.34 C ATOM 1093 C SER A 70 2.641 -8.921 3.085 1.00 80.34 C ATOM 1094 O SER A 70 2.631 -8.100 2.168 1.00 80.34 O ATOM 1095 CB SER A 70 2.654 -7.990 5.419 1.00 80.34 C ATOM 1096 OG SER A 70 3.482 -7.573 6.490 1.00 80.34 O ATOM 0 H SER A 70 4.517 -6.858 4.200 1.00 80.34 H new ATOM 0 HA SER A 70 3.828 -9.620 4.737 1.00 80.34 H new ATOM 0 HB2 SER A 70 2.131 -7.130 5.001 1.00 80.34 H new ATOM 0 HB3 SER A 70 1.893 -8.678 5.788 1.00 80.34 H new ATOM 0 HG SER A 70 3.918 -6.727 6.256 1.00 80.34 H new ATOM 1102 N ARG A 71 1.984 -10.069 3.022 1.00144.05 N ATOM 1103 CA ARG A 71 1.201 -10.424 1.845 1.00144.05 C ATOM 1104 C ARG A 71 -0.188 -9.788 1.828 1.00144.05 C ATOM 1105 O ARG A 71 -1.198 -10.480 1.680 1.00144.05 O ATOM 1106 CB ARG A 71 1.107 -11.940 1.727 1.00144.05 C ATOM 1107 CG ARG A 71 2.473 -12.588 1.623 1.00144.05 C ATOM 1108 CD ARG A 71 3.216 -12.121 0.382 1.00144.05 C ATOM 1109 NE ARG A 71 4.476 -12.838 0.196 1.00144.05 N ATOM 1110 CZ ARG A 71 5.198 -12.805 -0.923 1.00144.05 C ATOM 1111 NH1 ARG A 71 4.781 -12.106 -1.974 1.00144.05 N ATOM 1112 NH2 ARG A 71 6.338 -13.479 -0.992 1.00144.05 N ATOM 0 H ARG A 71 1.976 -10.767 3.765 1.00144.05 H new ATOM 0 HA ARG A 71 1.724 -10.020 0.978 1.00144.05 H new ATOM 0 HB2 ARG A 71 0.582 -12.339 2.595 1.00144.05 H new ATOM 0 HB3 ARG A 71 0.515 -12.199 0.849 1.00144.05 H new ATOM 0 HG2 ARG A 71 3.059 -12.350 2.511 1.00144.05 H new ATOM 0 HG3 ARG A 71 2.362 -13.672 1.596 1.00144.05 H new ATOM 0 HD2 ARG A 71 2.584 -12.265 -0.494 1.00144.05 H new ATOM 0 HD3 ARG A 71 3.415 -11.052 0.459 1.00144.05 H new ATOM 0 HE ARG A 71 4.825 -13.400 0.973 1.00144.05 H new ATOM 0 HH11 ARG A 71 3.902 -11.590 -1.927 1.00144.05 H new ATOM 0 HH12 ARG A 71 5.340 -12.086 -2.827 1.00144.05 H new ATOM 0 HH21 ARG A 71 6.660 -14.021 -0.190 1.00144.05 H new ATOM 0 HH22 ARG A 71 6.893 -13.456 -1.847 1.00144.05 H new ATOM 1126 N ARG A 72 -0.233 -8.466 1.945 1.00183.66 N ATOM 1127 CA ARG A 72 -1.491 -7.745 1.909 1.00183.66 C ATOM 1128 C ARG A 72 -1.343 -6.415 1.166 1.00183.66 C ATOM 1129 O ARG A 72 -1.358 -5.346 1.779 1.00183.66 O ATOM 1130 CB ARG A 72 -2.015 -7.501 3.314 1.00183.66 C ATOM 1131 CG ARG A 72 -3.525 -7.433 3.355 1.00183.66 C ATOM 1132 CD ARG A 72 -4.153 -8.760 2.976 1.00183.66 C ATOM 1133 NE ARG A 72 -5.007 -9.251 4.041 1.00183.66 N ATOM 1134 CZ ARG A 72 -5.867 -10.264 3.908 1.00183.66 C ATOM 1135 NH1 ARG A 72 -5.963 -10.922 2.759 1.00183.66 N ATOM 1136 NH2 ARG A 72 -6.630 -10.621 4.929 1.00183.66 N ATOM 0 H ARG A 72 0.590 -7.875 2.065 1.00183.66 H new ATOM 0 HA ARG A 72 -2.209 -8.363 1.370 1.00183.66 H new ATOM 0 HB2 ARG A 72 -1.671 -8.299 3.972 1.00183.66 H new ATOM 0 HB3 ARG A 72 -1.600 -6.569 3.698 1.00183.66 H new ATOM 0 HG2 ARG A 72 -3.850 -7.148 4.356 1.00183.66 H new ATOM 0 HG3 ARG A 72 -3.874 -6.657 2.674 1.00183.66 H new ATOM 0 HD2 ARG A 72 -4.735 -8.644 2.062 1.00183.66 H new ATOM 0 HD3 ARG A 72 -3.371 -9.490 2.765 1.00183.66 H new ATOM 0 HE ARG A 72 -4.947 -8.793 4.950 1.00183.66 H new ATOM 0 HH11 ARG A 72 -5.377 -10.655 1.968 1.00183.66 H new ATOM 0 HH12 ARG A 72 -6.623 -11.694 2.667 1.00183.66 H new ATOM 0 HH21 ARG A 72 -6.561 -10.123 5.816 1.00183.66 H new ATOM 0 HH22 ARG A 72 -7.287 -11.395 4.829 1.00183.66 H new ATOM 1150 N PRO A 73 -1.189 -6.461 -0.174 1.00130.67 N ATOM 1151 CA PRO A 73 -1.033 -5.254 -0.992 1.00130.67 C ATOM 1152 C PRO A 73 -2.223 -4.299 -0.891 1.00130.67 C ATOM 1153 O PRO A 73 -2.126 -3.145 -1.301 1.00130.67 O ATOM 1154 CB PRO A 73 -0.918 -5.792 -2.425 1.00130.67 C ATOM 1155 CG PRO A 73 -0.523 -7.220 -2.276 1.00130.67 C ATOM 1156 CD PRO A 73 -1.145 -7.686 -0.993 1.00130.67 C ATOM 0 HA PRO A 73 -0.173 -4.671 -0.663 1.00130.67 H new ATOM 0 HB2 PRO A 73 -1.864 -5.699 -2.958 1.00130.67 H new ATOM 0 HB3 PRO A 73 -0.175 -5.235 -2.996 1.00130.67 H new ATOM 0 HG2 PRO A 73 -0.876 -7.813 -3.120 1.00130.67 H new ATOM 0 HG3 PRO A 73 0.562 -7.324 -2.245 1.00130.67 H new ATOM 0 HD2 PRO A 73 -2.141 -8.098 -1.155 1.00130.67 H new ATOM 0 HD3 PRO A 73 -0.551 -8.467 -0.518 1.00130.67 H new ATOM 1164 N ASP A 74 -3.351 -4.779 -0.367 1.00 56.92 N ATOM 1165 CA ASP A 74 -4.547 -3.946 -0.255 1.00 56.92 C ATOM 1166 C ASP A 74 -4.327 -2.778 0.701 1.00 56.92 C ATOM 1167 O ASP A 74 -4.713 -1.646 0.405 1.00 56.92 O ATOM 1168 CB ASP A 74 -5.733 -4.793 0.216 1.00 56.92 C ATOM 1169 CG ASP A 74 -6.083 -5.893 -0.769 1.00 56.92 C ATOM 1170 OD1 ASP A 74 -5.629 -5.820 -1.930 1.00 56.92 O ATOM 1171 OD2 ASP A 74 -6.809 -6.830 -0.377 1.00 56.92 O ATOM 0 H ASP A 74 -3.461 -5.731 -0.017 1.00 56.92 H new ATOM 0 HA ASP A 74 -4.763 -3.535 -1.241 1.00 56.92 H new ATOM 0 HB2 ASP A 74 -5.498 -5.236 1.184 1.00 56.92 H new ATOM 0 HB3 ASP A 74 -6.601 -4.150 0.362 1.00 56.92 H new ATOM 1176 N LEU A 75 -3.686 -3.042 1.835 1.00 72.53 N ATOM 1177 CA LEU A 75 -3.404 -1.984 2.799 1.00 72.53 C ATOM 1178 C LEU A 75 -2.312 -1.088 2.243 1.00 72.53 C ATOM 1179 O LEU A 75 -2.407 0.137 2.295 1.00 72.53 O ATOM 1180 CB LEU A 75 -2.957 -2.563 4.140 1.00 72.53 C ATOM 1181 CG LEU A 75 -4.021 -3.320 4.940 1.00 72.53 C ATOM 1182 CD1 LEU A 75 -4.588 -4.466 4.123 1.00 72.53 C ATOM 1183 CD2 LEU A 75 -3.395 -3.849 6.211 1.00 72.53 C ATOM 0 H LEU A 75 -3.355 -3.968 2.107 1.00 72.53 H new ATOM 0 HA LEU A 75 -4.316 -1.411 2.965 1.00 72.53 H new ATOM 0 HB2 LEU A 75 -2.120 -3.238 3.960 1.00 72.53 H new ATOM 0 HB3 LEU A 75 -2.581 -1.747 4.757 1.00 72.53 H new ATOM 0 HG LEU A 75 -4.838 -2.641 5.185 1.00 72.53 H new ATOM 0 HD11 LEU A 75 -5.342 -4.992 4.708 1.00 72.53 H new ATOM 0 HD12 LEU A 75 -5.043 -4.074 3.213 1.00 72.53 H new ATOM 0 HD13 LEU A 75 -3.787 -5.156 3.860 1.00 72.53 H new ATOM 0 HD21 LEU A 75 -4.145 -4.390 6.788 1.00 72.53 H new ATOM 0 HD22 LEU A 75 -2.575 -4.522 5.960 1.00 72.53 H new ATOM 0 HD23 LEU A 75 -3.013 -3.017 6.802 1.00 72.53 H new ATOM 1195 N LEU A 76 -1.277 -1.721 1.687 1.00 57.08 N ATOM 1196 CA LEU A 76 -0.162 -0.998 1.088 1.00 57.08 C ATOM 1197 C LEU A 76 -0.655 -0.054 0.007 1.00 57.08 C ATOM 1198 O LEU A 76 -0.226 1.091 -0.078 1.00 57.08 O ATOM 1199 CB LEU A 76 0.837 -1.972 0.475 1.00 57.08 C ATOM 1200 CG LEU A 76 2.080 -1.307 -0.128 1.00 57.08 C ATOM 1201 CD1 LEU A 76 3.339 -1.793 0.564 1.00 57.08 C ATOM 1202 CD2 LEU A 76 2.164 -1.565 -1.629 1.00 57.08 C ATOM 0 H LEU A 76 -1.191 -2.736 1.641 1.00 57.08 H new ATOM 0 HA LEU A 76 0.324 -0.423 1.876 1.00 57.08 H new ATOM 0 HB2 LEU A 76 1.154 -2.679 1.241 1.00 57.08 H new ATOM 0 HB3 LEU A 76 0.335 -2.548 -0.302 1.00 57.08 H new ATOM 0 HG LEU A 76 1.993 -0.232 0.029 1.00 57.08 H new ATOM 0 HD11 LEU A 76 4.208 -1.308 0.120 1.00 57.08 H new ATOM 0 HD12 LEU A 76 3.289 -1.548 1.625 1.00 57.08 H new ATOM 0 HD13 LEU A 76 3.426 -2.873 0.445 1.00 57.08 H new ATOM 0 HD21 LEU A 76 3.055 -1.082 -2.032 1.00 57.08 H new ATOM 0 HD22 LEU A 76 2.219 -2.638 -1.811 1.00 57.08 H new ATOM 0 HD23 LEU A 76 1.279 -1.159 -2.118 1.00 57.08 H new ATOM 1214 N THR A 77 -1.570 -0.555 -0.818 1.00 38.46 N ATOM 1215 CA THR A 77 -2.146 0.219 -1.897 1.00 38.46 C ATOM 1216 C THR A 77 -2.758 1.510 -1.374 1.00 38.46 C ATOM 1217 O THR A 77 -2.591 2.565 -1.971 1.00 38.46 O ATOM 1218 CB THR A 77 -3.218 -0.608 -2.627 1.00 38.46 C ATOM 1219 OG1 THR A 77 -2.617 -1.744 -3.258 1.00 38.46 O ATOM 1220 CG2 THR A 77 -3.956 0.218 -3.664 1.00 38.46 C ATOM 0 H THR A 77 -1.928 -1.508 -0.752 1.00 38.46 H new ATOM 0 HA THR A 77 -1.349 0.473 -2.596 1.00 38.46 H new ATOM 0 HB THR A 77 -3.941 -0.939 -1.882 1.00 38.46 H new ATOM 0 HG1 THR A 77 -2.179 -2.301 -2.581 1.00 38.46 H new ATOM 0 HG21 THR A 77 -4.705 -0.402 -4.157 1.00 38.46 H new ATOM 0 HG22 THR A 77 -4.447 1.060 -3.176 1.00 38.46 H new ATOM 0 HG23 THR A 77 -3.248 0.590 -4.404 1.00 38.46 H new ATOM 1228 N MET A 78 -3.467 1.423 -0.259 1.00 70.15 N ATOM 1229 CA MET A 78 -4.082 2.602 0.321 1.00 70.15 C ATOM 1230 C MET A 78 -3.002 3.575 0.756 1.00 70.15 C ATOM 1231 O MET A 78 -3.138 4.787 0.598 1.00 70.15 O ATOM 1232 CB MET A 78 -4.977 2.205 1.491 1.00 70.15 C ATOM 1233 CG MET A 78 -6.119 1.299 1.058 1.00 70.15 C ATOM 1234 SD MET A 78 -7.276 0.935 2.389 1.00 70.15 S ATOM 1235 CE MET A 78 -8.285 -0.327 1.618 1.00 70.15 C ATOM 0 H MET A 78 -3.629 0.558 0.256 1.00 70.15 H new ATOM 0 HA MET A 78 -4.708 3.094 -0.424 1.00 70.15 H new ATOM 0 HB2 MET A 78 -4.379 1.697 2.248 1.00 70.15 H new ATOM 0 HB3 MET A 78 -5.384 3.103 1.956 1.00 70.15 H new ATOM 0 HG2 MET A 78 -6.657 1.771 0.236 1.00 70.15 H new ATOM 0 HG3 MET A 78 -5.708 0.364 0.676 1.00 70.15 H new ATOM 0 HE1 MET A 78 -9.337 -0.123 1.816 1.00 70.15 H new ATOM 0 HE2 MET A 78 -8.112 -0.324 0.542 1.00 70.15 H new ATOM 0 HE3 MET A 78 -8.021 -1.303 2.026 1.00 70.15 H new ATOM 1245 N VAL A 79 -1.911 3.020 1.271 1.00 44.32 N ATOM 1246 CA VAL A 79 -0.775 3.813 1.705 1.00 44.32 C ATOM 1247 C VAL A 79 -0.085 4.417 0.491 1.00 44.32 C ATOM 1248 O VAL A 79 0.227 5.608 0.456 1.00 44.32 O ATOM 1249 CB VAL A 79 0.242 2.944 2.476 1.00 44.32 C ATOM 1250 CG1 VAL A 79 1.331 3.804 3.097 1.00 44.32 C ATOM 1251 CG2 VAL A 79 -0.455 2.092 3.533 1.00 44.32 C ATOM 0 H VAL A 79 -1.792 2.015 1.397 1.00 44.32 H new ATOM 0 HA VAL A 79 -1.139 4.600 2.365 1.00 44.32 H new ATOM 0 HB VAL A 79 0.715 2.268 1.763 1.00 44.32 H new ATOM 0 HG11 VAL A 79 2.035 3.168 3.634 1.00 44.32 H new ATOM 0 HG12 VAL A 79 1.858 4.346 2.312 1.00 44.32 H new ATOM 0 HG13 VAL A 79 0.882 4.515 3.790 1.00 44.32 H new ATOM 0 HG21 VAL A 79 0.285 1.490 4.061 1.00 44.32 H new ATOM 0 HG22 VAL A 79 -0.968 2.741 4.243 1.00 44.32 H new ATOM 0 HG23 VAL A 79 -1.180 1.436 3.051 1.00 44.32 H new ATOM 1261 N VAL A 80 0.131 3.572 -0.508 1.00 90.77 N ATOM 1262 CA VAL A 80 0.765 3.975 -1.751 1.00 90.77 C ATOM 1263 C VAL A 80 -0.100 4.982 -2.500 1.00 90.77 C ATOM 1264 O VAL A 80 0.373 6.027 -2.939 1.00 90.77 O ATOM 1265 CB VAL A 80 0.992 2.744 -2.659 1.00 90.77 C ATOM 1266 CG1 VAL A 80 1.658 3.154 -3.969 1.00 90.77 C ATOM 1267 CG2 VAL A 80 1.806 1.674 -1.935 1.00 90.77 C ATOM 0 H VAL A 80 -0.130 2.586 -0.477 1.00 90.77 H new ATOM 0 HA VAL A 80 1.721 4.436 -1.503 1.00 90.77 H new ATOM 0 HB VAL A 80 0.020 2.314 -2.899 1.00 90.77 H new ATOM 0 HG11 VAL A 80 1.808 2.272 -4.592 1.00 90.77 H new ATOM 0 HG12 VAL A 80 1.021 3.865 -4.494 1.00 90.77 H new ATOM 0 HG13 VAL A 80 2.622 3.617 -3.758 1.00 90.77 H new ATOM 0 HG21 VAL A 80 1.952 0.819 -2.595 1.00 90.77 H new ATOM 0 HG22 VAL A 80 2.776 2.084 -1.652 1.00 90.77 H new ATOM 0 HG23 VAL A 80 1.272 1.355 -1.040 1.00 90.77 H new ATOM 1277 N ASP A 81 -1.370 4.648 -2.655 1.00 37.97 N ATOM 1278 CA ASP A 81 -2.301 5.509 -3.358 1.00 37.97 C ATOM 1279 C ASP A 81 -2.429 6.842 -2.647 1.00 37.97 C ATOM 1280 O ASP A 81 -2.504 7.893 -3.286 1.00 37.97 O ATOM 1281 CB ASP A 81 -3.668 4.842 -3.476 1.00 37.97 C ATOM 1282 CG ASP A 81 -4.641 5.648 -4.316 1.00 37.97 C ATOM 1283 OD1 ASP A 81 -4.219 6.661 -4.912 1.00 37.97 O ATOM 1284 OD2 ASP A 81 -5.829 5.265 -4.376 1.00 37.97 O ATOM 0 H ASP A 81 -1.779 3.783 -2.301 1.00 37.97 H new ATOM 0 HA ASP A 81 -1.913 5.683 -4.362 1.00 37.97 H new ATOM 0 HB2 ASP A 81 -3.548 3.852 -3.916 1.00 37.97 H new ATOM 0 HB3 ASP A 81 -4.086 4.700 -2.479 1.00 37.97 H new ATOM 1289 N TYR A 82 -2.435 6.801 -1.318 1.00130.70 N ATOM 1290 CA TYR A 82 -2.531 8.016 -0.539 1.00130.70 C ATOM 1291 C TYR A 82 -1.320 8.891 -0.796 1.00130.70 C ATOM 1292 O TYR A 82 -1.441 10.106 -0.957 1.00130.70 O ATOM 1293 CB TYR A 82 -2.632 7.678 0.949 1.00130.70 C ATOM 1294 CG TYR A 82 -2.245 8.813 1.879 1.00130.70 C ATOM 1295 CD1 TYR A 82 -0.906 9.104 2.108 1.00130.70 C ATOM 1296 CD2 TYR A 82 -3.198 9.585 2.516 1.00130.70 C ATOM 1297 CE1 TYR A 82 -0.532 10.126 2.948 1.00130.70 C ATOM 1298 CE2 TYR A 82 -2.825 10.606 3.359 1.00130.70 C ATOM 1299 CZ TYR A 82 -1.495 10.874 3.573 1.00130.70 C ATOM 1300 OH TYR A 82 -1.130 11.900 4.409 1.00130.70 O ATOM 0 H TYR A 82 -2.375 5.944 -0.768 1.00130.70 H new ATOM 0 HA TYR A 82 -3.428 8.559 -0.836 1.00130.70 H new ATOM 0 HB2 TYR A 82 -3.655 7.376 1.171 1.00130.70 H new ATOM 0 HB3 TYR A 82 -1.993 6.820 1.158 1.00130.70 H new ATOM 0 HD1 TYR A 82 -0.145 8.516 1.617 1.00130.70 H new ATOM 0 HD2 TYR A 82 -4.246 9.385 2.350 1.00130.70 H new ATOM 0 HE1 TYR A 82 0.514 10.338 3.114 1.00130.70 H new ATOM 0 HE2 TYR A 82 -3.580 11.199 3.854 1.00130.70 H new ATOM 0 HH TYR A 82 -0.477 12.474 3.957 1.00130.70 H new ATOM 1310 N ARG A 83 -0.144 8.260 -0.817 1.00265.02 N ATOM 1311 CA ARG A 83 1.104 8.976 -1.036 1.00265.02 C ATOM 1312 C ARG A 83 0.963 9.894 -2.227 1.00265.02 C ATOM 1313 O ARG A 83 1.222 11.073 -2.128 1.00265.02 O ATOM 1314 CB ARG A 83 2.248 7.967 -1.254 1.00265.02 C ATOM 1315 CG ARG A 83 3.527 8.554 -1.855 1.00265.02 C ATOM 1316 CD ARG A 83 3.833 7.931 -3.212 1.00265.02 C ATOM 1317 NE ARG A 83 5.240 8.079 -3.581 1.00265.02 N ATOM 1318 CZ ARG A 83 5.745 7.728 -4.764 1.00265.02 C ATOM 1319 NH1 ARG A 83 4.966 7.207 -5.706 1.00265.02 N ATOM 1320 NH2 ARG A 83 7.037 7.897 -5.007 1.00265.02 N ATOM 0 H ARG A 83 -0.035 7.255 -0.685 1.00265.02 H new ATOM 0 HA ARG A 83 1.338 9.581 -0.160 1.00265.02 H new ATOM 0 HB2 ARG A 83 2.493 7.507 -0.297 1.00265.02 H new ATOM 0 HB3 ARG A 83 1.890 7.171 -1.908 1.00265.02 H new ATOM 0 HG2 ARG A 83 3.419 9.633 -1.963 1.00265.02 H new ATOM 0 HG3 ARG A 83 4.363 8.383 -1.176 1.00265.02 H new ATOM 0 HD2 ARG A 83 3.574 6.873 -3.191 1.00265.02 H new ATOM 0 HD3 ARG A 83 3.208 8.397 -3.974 1.00265.02 H new ATOM 0 HE ARG A 83 5.876 8.476 -2.889 1.00265.02 H new ATOM 0 HH11 ARG A 83 3.971 7.072 -5.528 1.00265.02 H new ATOM 0 HH12 ARG A 83 5.363 6.942 -6.607 1.00265.02 H new ATOM 0 HH21 ARG A 83 7.643 8.295 -4.290 1.00265.02 H new ATOM 0 HH22 ARG A 83 7.425 7.629 -5.911 1.00265.02 H new ATOM 1334 N THR A 84 0.522 9.335 -3.329 1.00259.68 N ATOM 1335 CA THR A 84 0.325 10.087 -4.540 1.00259.68 C ATOM 1336 C THR A 84 -0.880 11.034 -4.470 1.00259.68 C ATOM 1337 O THR A 84 -0.819 12.159 -4.965 1.00259.68 O ATOM 1338 CB THR A 84 0.136 9.122 -5.712 1.00259.68 C ATOM 1339 OG1 THR A 84 1.261 8.238 -5.810 1.00259.68 O ATOM 1340 CG2 THR A 84 -0.030 9.889 -7.000 1.00259.68 C ATOM 0 H THR A 84 0.290 8.345 -3.409 1.00259.68 H new ATOM 0 HA THR A 84 1.213 10.704 -4.679 1.00259.68 H new ATOM 0 HB THR A 84 -0.764 8.532 -5.536 1.00259.68 H new ATOM 0 HG1 THR A 84 1.130 7.623 -6.562 1.00259.68 H new ATOM 0 HG21 THR A 84 -0.164 9.190 -7.825 1.00259.68 H new ATOM 0 HG22 THR A 84 -0.904 10.536 -6.928 1.00259.68 H new ATOM 0 HG23 THR A 84 0.857 10.496 -7.179 1.00259.68 H new ATOM 1348 N ARG A 85 -1.984 10.561 -3.907 1.00220.68 N ATOM 1349 CA ARG A 85 -3.199 11.369 -3.848 1.00220.68 C ATOM 1350 C ARG A 85 -3.007 12.609 -2.987 1.00220.68 C ATOM 1351 O ARG A 85 -3.332 13.720 -3.406 1.00220.68 O ATOM 1352 CB ARG A 85 -4.382 10.523 -3.342 1.00220.68 C ATOM 1353 CG ARG A 85 -4.590 10.518 -1.833 1.00220.68 C ATOM 1354 CD ARG A 85 -5.617 9.479 -1.450 1.00220.68 C ATOM 1355 NE ARG A 85 -5.862 9.441 -0.008 1.00220.68 N ATOM 1356 CZ ARG A 85 -6.398 8.398 0.632 1.00220.68 C ATOM 1357 NH1 ARG A 85 -6.741 7.300 -0.033 1.00220.68 N ATOM 1358 NH2 ARG A 85 -6.591 8.455 1.943 1.00220.68 N ATOM 0 H ARG A 85 -2.066 9.634 -3.489 1.00220.68 H new ATOM 0 HA ARG A 85 -3.424 11.710 -4.859 1.00220.68 H new ATOM 0 HB2 ARG A 85 -5.294 10.887 -3.815 1.00220.68 H new ATOM 0 HB3 ARG A 85 -4.239 9.495 -3.674 1.00220.68 H new ATOM 0 HG2 ARG A 85 -3.646 10.309 -1.329 1.00220.68 H new ATOM 0 HG3 ARG A 85 -4.918 11.503 -1.501 1.00220.68 H new ATOM 0 HD2 ARG A 85 -6.552 9.688 -1.969 1.00220.68 H new ATOM 0 HD3 ARG A 85 -5.279 8.498 -1.784 1.00220.68 H new ATOM 0 HE ARG A 85 -5.608 10.261 0.542 1.00220.68 H new ATOM 0 HH11 ARG A 85 -6.596 7.248 -1.041 1.00220.68 H new ATOM 0 HH12 ARG A 85 -7.150 6.509 0.465 1.00220.68 H new ATOM 0 HH21 ARG A 85 -6.330 9.294 2.461 1.00220.68 H new ATOM 0 HH22 ARG A 85 -7.000 7.660 2.433 1.00220.68 H new ATOM 1372 N VAL A 86 -2.459 12.418 -1.797 1.00 63.58 N ATOM 1373 CA VAL A 86 -2.216 13.536 -0.913 1.00 63.58 C ATOM 1374 C VAL A 86 -1.045 14.349 -1.456 1.00 63.58 C ATOM 1375 O VAL A 86 -0.978 15.550 -1.262 1.00 63.58 O ATOM 1376 CB VAL A 86 -1.984 13.085 0.546 1.00 63.58 C ATOM 1377 CG1 VAL A 86 -1.513 14.239 1.428 1.00 63.58 C ATOM 1378 CG2 VAL A 86 -3.277 12.501 1.093 1.00 63.58 C ATOM 0 H VAL A 86 -2.179 11.509 -1.429 1.00 63.58 H new ATOM 0 HA VAL A 86 -3.105 14.167 -0.886 1.00 63.58 H new ATOM 0 HB VAL A 86 -1.197 12.331 0.554 1.00 63.58 H new ATOM 0 HG11 VAL A 86 -1.361 13.880 2.446 1.00 63.58 H new ATOM 0 HG12 VAL A 86 -0.575 14.635 1.039 1.00 63.58 H new ATOM 0 HG13 VAL A 86 -2.266 15.027 1.429 1.00 63.58 H new ATOM 0 HG21 VAL A 86 -3.124 12.179 2.123 1.00 63.58 H new ATOM 0 HG22 VAL A 86 -4.060 13.259 1.062 1.00 63.58 H new ATOM 0 HG23 VAL A 86 -3.575 11.646 0.486 1.00 63.58 H new ATOM 1583 N LEU A 99 18.612 22.787 -5.805 1.00281.45 N ATOM 1584 CA LEU A 99 19.481 23.950 -5.702 1.00281.45 C ATOM 1585 C LEU A 99 19.735 24.310 -4.247 1.00281.45 C ATOM 1586 O LEU A 99 18.799 24.579 -3.493 1.00281.45 O ATOM 1587 CB LEU A 99 18.854 25.141 -6.426 1.00281.45 C ATOM 1588 CG LEU A 99 18.612 24.955 -7.929 1.00281.45 C ATOM 1589 CD1 LEU A 99 18.269 26.289 -8.575 1.00281.45 C ATOM 1590 CD2 LEU A 99 19.828 24.334 -8.608 1.00281.45 C ATOM 0 HA LEU A 99 20.434 23.704 -6.170 1.00281.45 H new ATOM 0 HB2 LEU A 99 17.901 25.372 -5.949 1.00281.45 H new ATOM 0 HB3 LEU A 99 19.499 26.008 -6.285 1.00281.45 H new ATOM 0 HG LEU A 99 17.771 24.274 -8.056 1.00281.45 H new ATOM 0 HD11 LEU A 99 18.099 26.144 -9.642 1.00281.45 H new ATOM 0 HD12 LEU A 99 17.367 26.694 -8.116 1.00281.45 H new ATOM 0 HD13 LEU A 99 19.094 26.986 -8.430 1.00281.45 H new ATOM 0 HD21 LEU A 99 19.628 24.214 -9.673 1.00281.45 H new ATOM 0 HD22 LEU A 99 20.692 24.984 -8.472 1.00281.45 H new ATOM 0 HD23 LEU A 99 20.034 23.360 -8.165 1.00281.45 H new ATOM 1602 N THR A 100 21.003 24.318 -3.856 1.00235.89 N ATOM 1603 CA THR A 100 21.373 24.650 -2.490 1.00235.89 C ATOM 1604 C THR A 100 21.753 26.120 -2.344 1.00235.89 C ATOM 1605 O THR A 100 20.931 26.944 -1.946 1.00235.89 O ATOM 1606 CB THR A 100 22.526 23.764 -1.995 1.00235.89 C ATOM 1607 OG1 THR A 100 23.643 23.864 -2.888 1.00235.89 O ATOM 1608 CG2 THR A 100 22.075 22.322 -1.904 1.00235.89 C ATOM 0 H THR A 100 21.790 24.098 -4.466 1.00235.89 H new ATOM 0 HA THR A 100 20.493 24.463 -1.874 1.00235.89 H new ATOM 0 HB THR A 100 22.827 24.106 -1.005 1.00235.89 H new ATOM 0 HG1 THR A 100 24.373 23.297 -2.563 1.00235.89 H new ATOM 0 HG21 THR A 100 22.901 21.704 -1.552 1.00235.89 H new ATOM 0 HG22 THR A 100 21.241 22.245 -1.206 1.00235.89 H new ATOM 0 HG23 THR A 100 21.758 21.977 -2.888 1.00235.89 H new ATOM 1616 N ARG A 101 23.004 26.447 -2.661 1.00326.00 N ATOM 1617 CA ARG A 101 23.479 27.814 -2.558 1.00326.00 C ATOM 1618 C ARG A 101 23.305 28.546 -3.881 1.00326.00 C ATOM 1619 O ARG A 101 24.249 28.682 -4.658 1.00326.00 O ATOM 1620 CB ARG A 101 24.942 27.830 -2.125 1.00326.00 C ATOM 1621 CG ARG A 101 25.184 27.093 -0.819 1.00326.00 C ATOM 1622 CD ARG A 101 25.438 25.615 -1.049 1.00326.00 C ATOM 1623 NE ARG A 101 26.020 24.976 0.129 1.00326.00 N ATOM 1624 CZ ARG A 101 25.343 24.710 1.246 1.00326.00 C ATOM 1625 NH1 ARG A 101 24.049 25.002 1.341 1.00326.00 N ATOM 1626 NH2 ARG A 101 25.961 24.150 2.277 1.00326.00 N ATOM 0 H ARG A 101 23.702 25.780 -2.991 1.00326.00 H new ATOM 0 HA ARG A 101 22.885 28.331 -1.804 1.00326.00 H new ATOM 0 HB2 ARG A 101 25.552 27.379 -2.908 1.00326.00 H new ATOM 0 HB3 ARG A 101 25.272 28.863 -2.019 1.00326.00 H new ATOM 0 HG2 ARG A 101 26.038 27.534 -0.305 1.00326.00 H new ATOM 0 HG3 ARG A 101 24.320 27.217 -0.166 1.00326.00 H new ATOM 0 HD2 ARG A 101 24.501 25.121 -1.305 1.00326.00 H new ATOM 0 HD3 ARG A 101 26.108 25.489 -1.899 1.00326.00 H new ATOM 0 HE ARG A 101 27.006 24.717 0.094 1.00326.00 H new ATOM 0 HH11 ARG A 101 23.565 25.434 0.554 1.00326.00 H new ATOM 0 HH12 ARG A 101 23.541 24.794 2.201 1.00326.00 H new ATOM 0 HH21 ARG A 101 26.954 23.923 2.215 1.00326.00 H new ATOM 0 HH22 ARG A 101 25.444 23.946 3.132 1.00326.00 H new ATOM 1640 N ILE A 102 22.085 29.003 -4.134 1.00164.55 N ATOM 1641 CA ILE A 102 21.772 29.707 -5.367 1.00164.55 C ATOM 1642 C ILE A 102 20.935 30.953 -5.077 1.00164.55 C ATOM 1643 O ILE A 102 19.733 30.986 -5.341 1.00164.55 O ATOM 1644 CB ILE A 102 21.016 28.798 -6.355 1.00164.55 C ATOM 1645 CG1 ILE A 102 21.808 27.512 -6.603 1.00164.55 C ATOM 1646 CG2 ILE A 102 20.756 29.526 -7.669 1.00164.55 C ATOM 1647 CD1 ILE A 102 21.760 26.542 -5.449 1.00164.55 C ATOM 0 H ILE A 102 21.295 28.897 -3.498 1.00164.55 H new ATOM 0 HA ILE A 102 22.717 30.005 -5.822 1.00164.55 H new ATOM 0 HB ILE A 102 20.053 28.537 -5.915 1.00164.55 H new ATOM 0 HG12 ILE A 102 21.419 27.022 -7.495 1.00164.55 H new ATOM 0 HG13 ILE A 102 22.847 27.769 -6.808 1.00164.55 H new ATOM 0 HG21 ILE A 102 20.221 28.865 -8.351 1.00164.55 H new ATOM 0 HG22 ILE A 102 20.155 30.415 -7.479 1.00164.55 H new ATOM 0 HG23 ILE A 102 21.706 29.819 -8.117 1.00164.55 H new ATOM 0 HD11 ILE A 102 22.343 25.654 -5.695 1.00164.55 H new ATOM 0 HD12 ILE A 102 22.176 27.014 -4.559 1.00164.55 H new ATOM 0 HD13 ILE A 102 20.726 26.255 -5.257 1.00164.55 H new ATOM 1659 N PRO A 103 21.572 32.003 -4.533 1.00 72.69 N ATOM 1660 CA PRO A 103 20.892 33.262 -4.213 1.00 72.69 C ATOM 1661 C PRO A 103 20.280 33.929 -5.444 1.00 72.69 C ATOM 1662 O PRO A 103 19.385 34.765 -5.325 1.00 72.69 O ATOM 1663 CB PRO A 103 22.007 34.134 -3.631 1.00 72.69 C ATOM 1664 CG PRO A 103 23.266 33.528 -4.140 1.00 72.69 C ATOM 1665 CD PRO A 103 23.003 32.056 -4.196 1.00 72.69 C ATOM 0 HA PRO A 103 20.055 33.106 -3.533 1.00 72.69 H new ATOM 0 HB2 PRO A 103 21.908 35.170 -3.953 1.00 72.69 H new ATOM 0 HB3 PRO A 103 21.981 34.135 -2.541 1.00 72.69 H new ATOM 0 HG2 PRO A 103 23.521 33.920 -5.125 1.00 72.69 H new ATOM 0 HG3 PRO A 103 24.105 33.753 -3.481 1.00 72.69 H new ATOM 0 HD2 PRO A 103 23.616 31.562 -4.950 1.00 72.69 H new ATOM 0 HD3 PRO A 103 23.214 31.569 -3.244 1.00 72.69 H new ATOM 1673 N SER A 104 20.766 33.553 -6.627 1.00159.85 N ATOM 1674 CA SER A 104 20.262 34.117 -7.875 1.00159.85 C ATOM 1675 C SER A 104 18.972 33.425 -8.337 1.00159.85 C ATOM 1676 O SER A 104 18.325 33.883 -9.279 1.00159.85 O ATOM 1677 CB SER A 104 21.327 34.011 -8.966 1.00159.85 C ATOM 1678 OG SER A 104 21.651 32.657 -9.232 1.00159.85 O ATOM 0 H SER A 104 21.507 32.862 -6.745 1.00159.85 H new ATOM 0 HA SER A 104 20.029 35.166 -7.690 1.00159.85 H new ATOM 0 HB2 SER A 104 20.967 34.488 -9.878 1.00159.85 H new ATOM 0 HB3 SER A 104 22.223 34.549 -8.657 1.00159.85 H new ATOM 0 HG SER A 104 22.333 32.616 -9.935 1.00159.85 H new ATOM 1684 N ALA A 105 18.598 32.335 -7.669 1.00293.58 N ATOM 1685 CA ALA A 105 17.384 31.605 -8.016 1.00293.58 C ATOM 1686 C ALA A 105 16.598 31.277 -6.761 1.00293.58 C ATOM 1687 O ALA A 105 15.456 31.707 -6.595 1.00293.58 O ATOM 1688 CB ALA A 105 17.725 30.333 -8.766 1.00293.58 C ATOM 0 H ALA A 105 19.119 31.940 -6.886 1.00293.58 H new ATOM 0 HA ALA A 105 16.773 32.234 -8.663 1.00293.58 H new ATOM 0 HB1 ALA A 105 16.807 29.801 -9.017 1.00293.58 H new ATOM 0 HB2 ALA A 105 18.261 30.583 -9.681 1.00293.58 H new ATOM 0 HB3 ALA A 105 18.352 29.699 -8.140 1.00293.58 H new ATOM 1694 N LYS A 106 17.232 30.531 -5.867 1.00328.40 N ATOM 1695 CA LYS A 106 16.610 30.167 -4.607 1.00328.40 C ATOM 1696 C LYS A 106 16.730 31.337 -3.647 1.00328.40 C ATOM 1697 O LYS A 106 17.781 31.972 -3.564 1.00328.40 O ATOM 1698 CB LYS A 106 17.277 28.921 -4.018 1.00328.40 C ATOM 1699 CG LYS A 106 17.272 27.724 -4.956 1.00328.40 C ATOM 1700 CD LYS A 106 15.859 27.256 -5.271 1.00328.40 C ATOM 1701 CE LYS A 106 15.289 26.404 -4.151 1.00328.40 C ATOM 1702 NZ LYS A 106 13.800 26.423 -4.138 1.00328.40 N ATOM 0 H LYS A 106 18.177 30.167 -5.993 1.00328.40 H new ATOM 0 HA LYS A 106 15.558 29.935 -4.773 1.00328.40 H new ATOM 0 HB2 LYS A 106 18.307 29.161 -3.755 1.00328.40 H new ATOM 0 HB3 LYS A 106 16.767 28.649 -3.094 1.00328.40 H new ATOM 0 HG2 LYS A 106 17.782 27.987 -5.883 1.00328.40 H new ATOM 0 HG3 LYS A 106 17.833 26.906 -4.504 1.00328.40 H new ATOM 0 HD2 LYS A 106 15.216 28.121 -5.434 1.00328.40 H new ATOM 0 HD3 LYS A 106 15.863 26.683 -6.198 1.00328.40 H new ATOM 0 HE2 LYS A 106 15.637 25.377 -4.263 1.00328.40 H new ATOM 0 HE3 LYS A 106 15.665 26.765 -3.194 1.00328.40 H new ATOM 0 HZ1 LYS A 106 13.452 25.829 -3.358 1.00328.40 H new ATOM 0 HZ2 LYS A 106 13.466 27.399 -4.005 1.00328.40 H new ATOM 0 HZ3 LYS A 106 13.440 26.054 -5.041 1.00328.40 H new ATOM 1716 N LYS A 107 15.650 31.646 -2.946 1.00281.61 N ATOM 1717 CA LYS A 107 15.658 32.769 -2.027 1.00281.61 C ATOM 1718 C LYS A 107 16.288 32.419 -0.691 1.00281.61 C ATOM 1719 O LYS A 107 15.871 31.485 -0.006 1.00281.61 O ATOM 1720 CB LYS A 107 14.246 33.303 -1.829 1.00281.61 C ATOM 1721 CG LYS A 107 13.706 34.006 -3.059 1.00281.61 C ATOM 1722 CD LYS A 107 12.457 34.806 -2.738 1.00281.61 C ATOM 1723 CE LYS A 107 12.773 35.987 -1.831 1.00281.61 C ATOM 1724 NZ LYS A 107 11.994 37.200 -2.205 1.00281.61 N ATOM 0 H LYS A 107 14.766 31.140 -2.996 1.00281.61 H new ATOM 0 HA LYS A 107 16.275 33.548 -2.476 1.00281.61 H new ATOM 0 HB2 LYS A 107 13.584 32.478 -1.568 1.00281.61 H new ATOM 0 HB3 LYS A 107 14.239 33.996 -0.988 1.00281.61 H new ATOM 0 HG2 LYS A 107 14.470 34.669 -3.465 1.00281.61 H new ATOM 0 HG3 LYS A 107 13.480 33.270 -3.830 1.00281.61 H new ATOM 0 HD2 LYS A 107 12.006 35.166 -3.663 1.00281.61 H new ATOM 0 HD3 LYS A 107 11.723 34.160 -2.255 1.00281.61 H new ATOM 0 HE2 LYS A 107 12.554 35.719 -0.797 1.00281.61 H new ATOM 0 HE3 LYS A 107 13.839 36.210 -1.883 1.00281.61 H new ATOM 0 HZ1 LYS A 107 12.238 37.981 -1.563 1.00281.61 H new ATOM 0 HZ2 LYS A 107 12.222 37.471 -3.183 1.00281.61 H new ATOM 0 HZ3 LYS A 107 10.977 36.996 -2.130 1.00281.61 H new ATOM 1738 N TYR A 108 17.298 33.203 -0.337 1.00309.62 N ATOM 1739 CA TYR A 108 18.026 33.036 0.911 1.00309.62 C ATOM 1740 C TYR A 108 17.147 33.269 2.127 1.00309.62 C ATOM 1741 O TYR A 108 16.129 33.957 2.057 1.00309.62 O ATOM 1742 CB TYR A 108 19.208 34.011 0.969 1.00309.62 C ATOM 1743 CG TYR A 108 18.880 35.486 0.753 1.00309.62 C ATOM 1744 CD1 TYR A 108 17.590 35.944 0.472 1.00309.62 C ATOM 1745 CD2 TYR A 108 19.895 36.432 0.835 1.00309.62 C ATOM 1746 CE1 TYR A 108 17.335 37.288 0.280 1.00309.62 C ATOM 1747 CE2 TYR A 108 19.643 37.777 0.646 1.00309.62 C ATOM 1748 CZ TYR A 108 18.363 38.200 0.368 1.00309.62 C ATOM 1749 OH TYR A 108 18.110 39.539 0.182 1.00309.62 O ATOM 0 H TYR A 108 17.636 33.976 -0.911 1.00309.62 H new ATOM 0 HA TYR A 108 18.378 32.005 0.933 1.00309.62 H new ATOM 0 HB2 TYR A 108 19.690 33.907 1.941 1.00309.62 H new ATOM 0 HB3 TYR A 108 19.937 33.709 0.217 1.00309.62 H new ATOM 0 HD1 TYR A 108 16.778 35.235 0.404 1.00309.62 H new ATOM 0 HD2 TYR A 108 20.902 36.109 1.051 1.00309.62 H new ATOM 0 HE1 TYR A 108 16.332 37.623 0.061 1.00309.62 H new ATOM 0 HE2 TYR A 108 20.447 38.494 0.716 1.00309.62 H new ATOM 0 HH TYR A 108 18.943 40.046 0.279 1.00309.62 H new ATOM 1759 N LYS A 109 17.570 32.716 3.255 1.00276.51 N ATOM 1760 CA LYS A 109 16.844 32.904 4.499 1.00276.51 C ATOM 1761 C LYS A 109 17.427 34.059 5.299 1.00276.51 C ATOM 1762 O LYS A 109 16.878 34.449 6.330 1.00276.51 O ATOM 1763 CB LYS A 109 16.831 31.628 5.318 1.00276.51 C ATOM 1764 CG LYS A 109 16.361 30.429 4.516 1.00276.51 C ATOM 1765 CD LYS A 109 16.765 29.124 5.179 1.00276.51 C ATOM 1766 CE LYS A 109 18.277 29.019 5.294 1.00276.51 C ATOM 1767 NZ LYS A 109 18.753 27.612 5.168 1.00276.51 N ATOM 0 H LYS A 109 18.407 32.138 3.333 1.00276.51 H new ATOM 0 HA LYS A 109 15.812 33.154 4.252 1.00276.51 H new ATOM 0 HB2 LYS A 109 17.833 31.435 5.701 1.00276.51 H new ATOM 0 HB3 LYS A 109 16.180 31.761 6.182 1.00276.51 H new ATOM 0 HG2 LYS A 109 15.277 30.464 4.409 1.00276.51 H new ATOM 0 HG3 LYS A 109 16.782 30.474 3.512 1.00276.51 H new ATOM 0 HD2 LYS A 109 16.316 29.061 6.170 1.00276.51 H new ATOM 0 HD3 LYS A 109 16.381 28.284 4.601 1.00276.51 H new ATOM 0 HE2 LYS A 109 18.742 29.629 4.520 1.00276.51 H new ATOM 0 HE3 LYS A 109 18.596 29.425 6.254 1.00276.51 H new ATOM 0 HZ1 LYS A 109 19.789 27.587 5.252 1.00276.51 H new ATOM 0 HZ2 LYS A 109 18.330 27.034 5.922 1.00276.51 H new ATOM 0 HZ3 LYS A 109 18.472 27.232 4.242 1.00276.51 H new ATOM 1781 N ASP A 110 18.495 34.667 4.773 1.00203.92 N ATOM 1782 CA ASP A 110 19.085 35.845 5.396 1.00203.92 C ATOM 1783 C ASP A 110 18.001 36.924 5.486 1.00203.92 C ATOM 1784 O ASP A 110 18.033 37.802 6.350 1.00203.92 O ATOM 1785 CB ASP A 110 20.265 36.360 4.565 1.00203.92 C ATOM 1786 CG ASP A 110 21.447 35.410 4.563 1.00203.92 C ATOM 1787 OD1 ASP A 110 21.362 34.350 5.219 1.00203.92 O ATOM 1788 OD2 ASP A 110 22.461 35.730 3.907 1.00203.92 O ATOM 0 H ASP A 110 18.964 34.361 3.920 1.00203.92 H new ATOM 0 HA ASP A 110 19.458 35.592 6.389 1.00203.92 H new ATOM 0 HB2 ASP A 110 19.936 36.524 3.539 1.00203.92 H new ATOM 0 HB3 ASP A 110 20.583 37.326 4.956 1.00203.92 H new ATOM 1793 N ILE A 111 17.024 36.807 4.577 1.00 50.97 N ATOM 1794 CA ILE A 111 15.894 37.697 4.507 1.00 50.97 C ATOM 1795 C ILE A 111 14.903 37.319 5.615 1.00 50.97 C ATOM 1796 O ILE A 111 14.925 36.186 6.101 1.00 50.97 O ATOM 1797 CB ILE A 111 15.253 37.580 3.097 1.00 50.97 C ATOM 1798 CG1 ILE A 111 14.435 38.819 2.754 1.00 50.97 C ATOM 1799 CG2 ILE A 111 14.411 36.314 2.954 1.00 50.97 C ATOM 1800 CD1 ILE A 111 15.168 39.781 1.848 1.00 50.97 C ATOM 0 H ILE A 111 17.011 36.075 3.866 1.00 50.97 H new ATOM 0 HA ILE A 111 16.196 38.733 4.658 1.00 50.97 H new ATOM 0 HB ILE A 111 16.073 37.508 2.382 1.00 50.97 H new ATOM 0 HG12 ILE A 111 13.506 38.512 2.273 1.00 50.97 H new ATOM 0 HG13 ILE A 111 14.162 39.333 3.675 1.00 50.97 H new ATOM 0 HG21 ILE A 111 13.982 36.273 1.953 1.00 50.97 H new ATOM 0 HG22 ILE A 111 15.040 35.439 3.115 1.00 50.97 H new ATOM 0 HG23 ILE A 111 13.609 36.325 3.692 1.00 50.97 H new ATOM 0 HD11 ILE A 111 14.532 40.642 1.641 1.00 50.97 H new ATOM 0 HD12 ILE A 111 16.084 40.115 2.336 1.00 50.97 H new ATOM 0 HD13 ILE A 111 15.418 39.281 0.912 1.00 50.97 H new ATOM 1812 N ILE A 112 14.055 38.247 6.027 1.00108.96 N ATOM 1813 CA ILE A 112 13.099 37.959 7.091 1.00108.96 C ATOM 1814 C ILE A 112 11.820 37.331 6.543 1.00108.96 C ATOM 1815 O ILE A 112 10.983 38.020 5.956 1.00108.96 O ATOM 1816 CB ILE A 112 12.730 39.243 7.878 1.00108.96 C ATOM 1817 CG1 ILE A 112 13.985 39.918 8.445 1.00108.96 C ATOM 1818 CG2 ILE A 112 11.741 38.929 8.996 1.00108.96 C ATOM 1819 CD1 ILE A 112 14.891 38.985 9.225 1.00108.96 C ATOM 0 H ILE A 112 14.006 39.193 5.650 1.00108.96 H new ATOM 0 HA ILE A 112 13.585 37.250 7.761 1.00108.96 H new ATOM 0 HB ILE A 112 12.254 39.936 7.184 1.00108.96 H new ATOM 0 HG12 ILE A 112 14.552 40.355 7.623 1.00108.96 H new ATOM 0 HG13 ILE A 112 13.681 40.739 9.094 1.00108.96 H new ATOM 0 HG21 ILE A 112 11.497 39.845 9.534 1.00108.96 H new ATOM 0 HG22 ILE A 112 10.832 38.506 8.569 1.00108.96 H new ATOM 0 HG23 ILE A 112 12.186 38.211 9.685 1.00108.96 H new ATOM 0 HD11 ILE A 112 15.755 39.539 9.592 1.00108.96 H new ATOM 0 HD12 ILE A 112 14.343 38.567 10.069 1.00108.96 H new ATOM 0 HD13 ILE A 112 15.227 38.177 8.575 1.00108.96 H new