USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=29 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 35 LYS NZ :NH3+ 166:sc= -0.0234 (180deg=-0.0914) USER MOD Set 1.2: A 52 HIS : no HE2:sc= -0.594 K(o=-0.62,f=-1.7) USER MOD Set 2.1: A 27 CYS SG : rot -173:sc= -4.84! USER MOD Set 2.2: A 62 TYR OH : rot -32:sc= -0.392 USER MOD Set 3.1: A 14 ASN :FLIP amide:sc= -2.03 F(o=-7.1!,f=-3.7) USER MOD Set 3.2: A 78 MET CE :methyl -140:sc= -1.66 (180deg=0) USER MOD Single : A 4 TYR OH : rot 74:sc= -3.75! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 80:sc= 0.274 USER MOD Single : A 13 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.4) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 22 GLN : amide:sc= -0.523 K(o=-0.52,f=-1.2) USER MOD Single : A 24 LYS NZ :NH3+ -140:sc= 1.16 (180deg=-0.932) USER MOD Single : A 25 SER OG : rot 44:sc= 1.16 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -2.52 USER MOD Single : A 40 THR OG1 : rot -15:sc= -0.149! USER MOD Single : A 41 THR OG1 : rot 150:sc= 0.181 USER MOD Single : A 43 SER OG : rot 180:sc= -1.33 USER MOD Single : A 47 SER OG : rot 57:sc= 1.07 USER MOD Single : A 51 SER OG : rot 98:sc= 1.15 USER MOD Single : A 53 ASN : amide:sc= -0.705 K(o=-0.7,f=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 150:sc= -0.103 (180deg=-0.57) USER MOD Single : A 59 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.48) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-4.8!) USER MOD Single : A 70 SER OG : rot 87:sc= 0.582 USER MOD Single : A 77 THR OG1 : rot 62:sc= 1.15 USER MOD Single : A 82 TYR OH : rot 165:sc= -1.21 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 147:sc= -0.457 (180deg=-1.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 30:sc= -0.0382 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -4.116 15.130 8.755 1.00 35.11 N ATOM 21 CA ALA A 2 -5.438 14.543 8.926 1.00 35.11 C ATOM 22 C ALA A 2 -5.667 13.427 7.925 1.00 35.11 C ATOM 23 O ALA A 2 -6.159 12.356 8.281 1.00 35.11 O ATOM 24 CB ALA A 2 -6.519 15.605 8.806 1.00 35.11 C ATOM 0 HA ALA A 2 -5.491 14.115 9.927 1.00 35.11 H new ATOM 0 HB1 ALA A 2 -7.498 15.144 8.937 1.00 35.11 H new ATOM 0 HB2 ALA A 2 -6.370 16.364 9.574 1.00 35.11 H new ATOM 0 HB3 ALA A 2 -6.465 16.069 7.821 1.00 35.11 H new ATOM 30 N GLU A 3 -5.276 13.662 6.680 1.00 71.76 N ATOM 31 CA GLU A 3 -5.412 12.646 5.649 1.00 71.76 C ATOM 32 C GLU A 3 -4.558 11.455 6.021 1.00 71.76 C ATOM 33 O GLU A 3 -4.966 10.307 5.868 1.00 71.76 O ATOM 34 CB GLU A 3 -4.999 13.211 4.298 1.00 71.76 C ATOM 35 CG GLU A 3 -5.888 14.347 3.856 1.00 71.76 C ATOM 36 CD GLU A 3 -7.290 13.893 3.498 1.00 71.76 C ATOM 37 OE1 GLU A 3 -7.489 12.676 3.296 1.00 71.76 O ATOM 38 OE2 GLU A 3 -8.190 14.755 3.419 1.00 71.76 O ATOM 0 H GLU A 3 -4.866 14.540 6.362 1.00 71.76 H new ATOM 0 HA GLU A 3 -6.452 12.330 5.574 1.00 71.76 H new ATOM 0 HB2 GLU A 3 -3.968 13.560 4.353 1.00 71.76 H new ATOM 0 HB3 GLU A 3 -5.028 12.418 3.551 1.00 71.76 H new ATOM 0 HG2 GLU A 3 -5.944 15.089 4.652 1.00 71.76 H new ATOM 0 HG3 GLU A 3 -5.439 14.839 2.993 1.00 71.76 H new ATOM 45 N TYR A 4 -3.369 11.745 6.540 1.00112.05 N ATOM 46 CA TYR A 4 -2.466 10.698 6.965 1.00112.05 C ATOM 47 C TYR A 4 -3.088 9.905 8.111 1.00112.05 C ATOM 48 O TYR A 4 -3.003 8.677 8.143 1.00112.05 O ATOM 49 CB TYR A 4 -1.106 11.259 7.375 1.00112.05 C ATOM 50 CG TYR A 4 -0.114 10.179 7.697 1.00112.05 C ATOM 51 CD1 TYR A 4 0.304 9.282 6.721 1.00112.05 C ATOM 52 CD2 TYR A 4 0.396 10.048 8.975 1.00112.05 C ATOM 53 CE1 TYR A 4 1.207 8.282 7.015 1.00112.05 C ATOM 54 CE2 TYR A 4 1.300 9.054 9.278 1.00112.05 C ATOM 55 CZ TYR A 4 1.703 8.171 8.296 1.00112.05 C ATOM 56 OH TYR A 4 2.599 7.174 8.596 1.00112.05 O ATOM 0 H TYR A 4 -3.016 12.693 6.673 1.00112.05 H new ATOM 0 HA TYR A 4 -2.301 10.031 6.119 1.00112.05 H new ATOM 0 HB2 TYR A 4 -0.714 11.880 6.569 1.00112.05 H new ATOM 0 HB3 TYR A 4 -1.230 11.905 8.244 1.00112.05 H new ATOM 0 HD1 TYR A 4 -0.084 9.369 5.717 1.00112.05 H new ATOM 0 HD2 TYR A 4 0.081 10.735 9.747 1.00112.05 H new ATOM 0 HE1 TYR A 4 1.523 7.591 6.247 1.00112.05 H new ATOM 0 HE2 TYR A 4 1.692 8.966 10.280 1.00112.05 H new ATOM 0 HH TYR A 4 3.474 7.394 8.212 1.00112.05 H new ATOM 66 N GLY A 5 -3.735 10.609 9.048 1.00 23.54 N ATOM 67 CA GLY A 5 -4.378 9.925 10.159 1.00 23.54 C ATOM 68 C GLY A 5 -5.440 8.968 9.663 1.00 23.54 C ATOM 69 O GLY A 5 -5.515 7.817 10.096 1.00 23.54 O ATOM 0 H GLY A 5 -3.823 11.625 9.055 1.00 23.54 H new ATOM 0 HA2 GLY A 5 -3.632 9.379 10.736 1.00 23.54 H new ATOM 0 HA3 GLY A 5 -4.827 10.657 10.831 1.00 23.54 H new ATOM 73 N THR A 6 -6.242 9.452 8.722 1.00 90.84 N ATOM 74 CA THR A 6 -7.290 8.667 8.108 1.00 90.84 C ATOM 75 C THR A 6 -6.686 7.584 7.233 1.00 90.84 C ATOM 76 O THR A 6 -7.200 6.474 7.168 1.00 90.84 O ATOM 77 CB THR A 6 -8.216 9.584 7.284 1.00 90.84 C ATOM 78 OG1 THR A 6 -8.897 10.500 8.149 1.00 90.84 O ATOM 79 CG2 THR A 6 -9.225 8.789 6.482 1.00 90.84 C ATOM 0 H THR A 6 -6.178 10.406 8.366 1.00 90.84 H new ATOM 0 HA THR A 6 -7.882 8.186 8.887 1.00 90.84 H new ATOM 0 HB THR A 6 -7.592 10.137 6.582 1.00 90.84 H new ATOM 0 HG1 THR A 6 -9.481 11.079 7.617 1.00 90.84 H new ATOM 0 HG21 THR A 6 -9.858 9.471 5.915 1.00 90.84 H new ATOM 0 HG22 THR A 6 -8.701 8.125 5.795 1.00 90.84 H new ATOM 0 HG23 THR A 6 -9.843 8.198 7.158 1.00 90.84 H new ATOM 87 N LEU A 7 -5.582 7.906 6.572 1.00 63.89 N ATOM 88 CA LEU A 7 -4.898 6.941 5.720 1.00 63.89 C ATOM 89 C LEU A 7 -4.616 5.663 6.499 1.00 63.89 C ATOM 90 O LEU A 7 -5.072 4.578 6.141 1.00 63.89 O ATOM 91 CB LEU A 7 -3.585 7.535 5.208 1.00 63.89 C ATOM 92 CG LEU A 7 -2.631 6.526 4.570 1.00 63.89 C ATOM 93 CD1 LEU A 7 -3.286 5.868 3.367 1.00 63.89 C ATOM 94 CD2 LEU A 7 -1.306 7.181 4.207 1.00 63.89 C ATOM 0 H LEU A 7 -5.142 8.825 6.609 1.00 63.89 H new ATOM 0 HA LEU A 7 -5.539 6.705 4.871 1.00 63.89 H new ATOM 0 HB2 LEU A 7 -3.814 8.310 4.477 1.00 63.89 H new ATOM 0 HB3 LEU A 7 -3.074 8.022 6.039 1.00 63.89 H new ATOM 0 HG LEU A 7 -2.412 5.745 5.298 1.00 63.89 H new ATOM 0 HD11 LEU A 7 -2.595 5.152 2.923 1.00 63.89 H new ATOM 0 HD12 LEU A 7 -4.191 5.350 3.684 1.00 63.89 H new ATOM 0 HD13 LEU A 7 -3.542 6.630 2.630 1.00 63.89 H new ATOM 0 HD21 LEU A 7 -0.646 6.441 3.755 1.00 63.89 H new ATOM 0 HD22 LEU A 7 -1.482 7.991 3.499 1.00 63.89 H new ATOM 0 HD23 LEU A 7 -0.839 7.581 5.107 1.00 63.89 H new ATOM 106 N LEU A 8 -3.872 5.823 7.581 1.00 67.93 N ATOM 107 CA LEU A 8 -3.529 4.713 8.445 1.00 67.93 C ATOM 108 C LEU A 8 -4.791 4.066 8.996 1.00 67.93 C ATOM 109 O LEU A 8 -4.872 2.851 9.113 1.00 67.93 O ATOM 110 CB LEU A 8 -2.634 5.202 9.583 1.00 67.93 C ATOM 111 CG LEU A 8 -1.124 5.247 9.284 1.00 67.93 C ATOM 112 CD1 LEU A 8 -0.836 5.699 7.856 1.00 67.93 C ATOM 113 CD2 LEU A 8 -0.420 6.162 10.275 1.00 67.93 C ATOM 0 H LEU A 8 -3.492 6.721 7.881 1.00 67.93 H new ATOM 0 HA LEU A 8 -2.985 3.965 7.868 1.00 67.93 H new ATOM 0 HB2 LEU A 8 -2.957 6.203 9.868 1.00 67.93 H new ATOM 0 HB3 LEU A 8 -2.794 4.557 10.447 1.00 67.93 H new ATOM 0 HG LEU A 8 -0.740 4.233 9.390 1.00 67.93 H new ATOM 0 HD11 LEU A 8 0.241 5.716 7.690 1.00 67.93 H new ATOM 0 HD12 LEU A 8 -1.301 5.006 7.154 1.00 67.93 H new ATOM 0 HD13 LEU A 8 -1.243 6.699 7.702 1.00 67.93 H new ATOM 0 HD21 LEU A 8 0.647 6.186 10.054 1.00 67.93 H new ATOM 0 HD22 LEU A 8 -0.830 7.169 10.195 1.00 67.93 H new ATOM 0 HD23 LEU A 8 -0.572 5.788 11.287 1.00 67.93 H new ATOM 125 N GLN A 9 -5.787 4.890 9.304 1.00 42.21 N ATOM 126 CA GLN A 9 -7.054 4.405 9.817 1.00 42.21 C ATOM 127 C GLN A 9 -7.754 3.562 8.749 1.00 42.21 C ATOM 128 O GLN A 9 -8.372 2.541 9.054 1.00 42.21 O ATOM 129 CB GLN A 9 -7.880 5.631 10.253 1.00 42.21 C ATOM 130 CG GLN A 9 -9.390 5.472 10.227 1.00 42.21 C ATOM 131 CD GLN A 9 -10.048 5.832 11.547 1.00 42.21 C ATOM 132 OE1 GLN A 9 -10.401 6.988 11.784 1.00 42.21 O ATOM 133 NE2 GLN A 9 -10.214 4.840 12.414 1.00 42.21 N ATOM 0 H GLN A 9 -5.736 5.904 9.205 1.00 42.21 H new ATOM 0 HA GLN A 9 -6.919 3.754 10.681 1.00 42.21 H new ATOM 0 HB2 GLN A 9 -7.582 5.901 11.266 1.00 42.21 H new ATOM 0 HB3 GLN A 9 -7.614 6.469 9.609 1.00 42.21 H new ATOM 0 HG2 GLN A 9 -9.802 6.101 9.438 1.00 42.21 H new ATOM 0 HG3 GLN A 9 -9.637 4.441 9.974 1.00 42.21 H new ATOM 0 HE21 GLN A 9 -9.906 3.897 12.175 1.00 42.21 H new ATOM 0 HE22 GLN A 9 -10.649 5.021 13.319 1.00 42.21 H new ATOM 142 N ASP A 10 -7.650 3.998 7.502 1.00 76.39 N ATOM 143 CA ASP A 10 -8.269 3.286 6.393 1.00 76.39 C ATOM 144 C ASP A 10 -7.715 1.875 6.264 1.00 76.39 C ATOM 145 O ASP A 10 -8.482 0.915 6.218 1.00 76.39 O ATOM 146 CB ASP A 10 -8.081 4.061 5.087 1.00 76.39 C ATOM 147 CG ASP A 10 -8.856 5.365 5.073 1.00 76.39 C ATOM 148 OD1 ASP A 10 -9.771 5.521 5.909 1.00 76.39 O ATOM 149 OD2 ASP A 10 -8.550 6.228 4.224 1.00 76.39 O ATOM 0 H ASP A 10 -7.143 4.841 7.233 1.00 76.39 H new ATOM 0 HA ASP A 10 -9.336 3.206 6.600 1.00 76.39 H new ATOM 0 HB2 ASP A 10 -7.021 4.270 4.941 1.00 76.39 H new ATOM 0 HB3 ASP A 10 -8.403 3.441 4.250 1.00 76.39 H new ATOM 154 N LEU A 11 -6.388 1.727 6.250 1.00140.58 N ATOM 155 CA LEU A 11 -5.811 0.396 6.183 1.00140.58 C ATOM 156 C LEU A 11 -6.130 -0.330 7.474 1.00140.58 C ATOM 157 O LEU A 11 -6.377 -1.529 7.463 1.00140.58 O ATOM 158 CB LEU A 11 -4.316 0.438 5.875 1.00140.58 C ATOM 159 CG LEU A 11 -3.398 0.816 7.026 1.00140.58 C ATOM 160 CD1 LEU A 11 -3.010 -0.428 7.817 1.00140.58 C ATOM 161 CD2 LEU A 11 -2.165 1.535 6.486 1.00140.58 C ATOM 0 H LEU A 11 -5.715 2.493 6.283 1.00140.58 H new ATOM 0 HA LEU A 11 -6.253 -0.157 5.354 1.00140.58 H new ATOM 0 HB2 LEU A 11 -4.016 -0.543 5.507 1.00140.58 H new ATOM 0 HB3 LEU A 11 -4.155 1.147 5.063 1.00140.58 H new ATOM 0 HG LEU A 11 -3.921 1.493 7.701 1.00140.58 H new ATOM 0 HD11 LEU A 11 -2.352 -0.146 8.639 1.00140.58 H new ATOM 0 HD12 LEU A 11 -3.908 -0.900 8.216 1.00140.58 H new ATOM 0 HD13 LEU A 11 -2.492 -1.129 7.162 1.00140.58 H new ATOM 0 HD21 LEU A 11 -1.509 1.804 7.314 1.00140.58 H new ATOM 0 HD22 LEU A 11 -1.632 0.877 5.800 1.00140.58 H new ATOM 0 HD23 LEU A 11 -2.472 2.438 5.958 1.00140.58 H new ATOM 173 N THR A 12 -6.200 0.425 8.582 1.00103.83 N ATOM 174 CA THR A 12 -6.575 -0.143 9.861 1.00103.83 C ATOM 175 C THR A 12 -7.983 -0.721 9.748 1.00103.83 C ATOM 176 O THR A 12 -8.283 -1.786 10.280 1.00103.83 O ATOM 177 CB THR A 12 -6.544 0.896 10.994 1.00103.83 C ATOM 178 OG1 THR A 12 -5.268 1.529 11.065 1.00103.83 O ATOM 179 CG2 THR A 12 -6.825 0.221 12.309 1.00103.83 C ATOM 0 H THR A 12 -6.000 1.425 8.605 1.00103.83 H new ATOM 0 HA THR A 12 -5.850 -0.919 10.109 1.00103.83 H new ATOM 0 HB THR A 12 -7.305 1.649 10.787 1.00103.83 H new ATOM 0 HG1 THR A 12 -5.212 2.230 10.382 1.00103.83 H new ATOM 0 HG21 THR A 12 -6.802 0.960 13.110 1.00103.83 H new ATOM 0 HG22 THR A 12 -7.809 -0.247 12.275 1.00103.83 H new ATOM 0 HG23 THR A 12 -6.068 -0.540 12.496 1.00103.83 H new ATOM 187 N ASN A 13 -8.836 -0.023 9.004 1.00 36.97 N ATOM 188 CA ASN A 13 -10.197 -0.490 8.771 1.00 36.97 C ATOM 189 C ASN A 13 -10.155 -1.800 7.991 1.00 36.97 C ATOM 190 O ASN A 13 -11.002 -2.675 8.173 1.00 36.97 O ATOM 191 CB ASN A 13 -11.016 0.557 8.012 1.00 36.97 C ATOM 192 CG ASN A 13 -11.227 1.821 8.820 1.00 36.97 C ATOM 193 OD1 ASN A 13 -11.139 1.807 10.048 1.00 36.97 O ATOM 194 ND2 ASN A 13 -11.506 2.921 8.133 1.00 36.97 N ATOM 0 H ASN A 13 -8.609 0.864 8.554 1.00 36.97 H new ATOM 0 HA ASN A 13 -10.681 -0.655 9.734 1.00 36.97 H new ATOM 0 HB2 ASN A 13 -10.509 0.805 7.080 1.00 36.97 H new ATOM 0 HB3 ASN A 13 -11.984 0.134 7.745 1.00 36.97 H new ATOM 0 HD21 ASN A 13 -11.658 3.803 8.622 1.00 36.97 H new ATOM 0 HD22 ASN A 13 -11.569 2.885 7.116 1.00 36.97 H new ATOM 201 N ASN A 14 -9.132 -1.936 7.144 1.00 84.59 N ATOM 202 CA ASN A 14 -8.938 -3.150 6.358 1.00 84.59 C ATOM 203 C ASN A 14 -7.951 -4.097 7.048 1.00 84.59 C ATOM 204 O ASN A 14 -7.622 -5.157 6.517 1.00 84.59 O ATOM 205 CB ASN A 14 -8.432 -2.796 4.958 1.00 84.59 C ATOM 206 CG ASN A 14 -9.445 -1.993 4.166 1.00 84.59 C ATOM 207 OD1 ASN A 14 -9.470 -0.684 4.392 1.00 84.59 O flip ATOM 208 ND2 ASN A 14 -10.200 -2.542 3.363 1.00 84.59 N flip ATOM 0 H ASN A 14 -8.426 -1.217 6.987 1.00 84.59 H new ATOM 0 HA ASN A 14 -9.899 -3.658 6.273 1.00 84.59 H new ATOM 0 HB2 ASN A 14 -7.506 -2.227 5.042 1.00 84.59 H new ATOM 0 HB3 ASN A 14 -8.195 -3.712 4.417 1.00 84.59 H new ATOM 0 HD21 ASN A 14 -10.147 -3.551 3.220 1.00 84.59 H new ATOM 0 HD22 ASN A 14 -10.879 -1.988 2.840 1.00 84.59 H new ATOM 215 N ILE A 15 -7.468 -3.696 8.226 1.00120.44 N ATOM 216 CA ILE A 15 -6.515 -4.477 8.977 1.00120.44 C ATOM 217 C ILE A 15 -7.198 -5.425 9.964 1.00120.44 C ATOM 218 O ILE A 15 -7.879 -4.992 10.894 1.00120.44 O ATOM 219 CB ILE A 15 -5.511 -3.514 9.691 1.00120.44 C ATOM 220 CG1 ILE A 15 -4.110 -4.043 9.572 1.00120.44 C ATOM 221 CG2 ILE A 15 -5.820 -3.233 11.160 1.00120.44 C ATOM 222 CD1 ILE A 15 -3.923 -5.395 10.214 1.00120.44 C ATOM 0 H ILE A 15 -7.734 -2.820 8.676 1.00120.44 H new ATOM 0 HA ILE A 15 -5.963 -5.115 8.287 1.00120.44 H new ATOM 0 HB ILE A 15 -5.618 -2.561 9.173 1.00120.44 H new ATOM 0 HG12 ILE A 15 -3.843 -4.110 8.517 1.00120.44 H new ATOM 0 HG13 ILE A 15 -3.421 -3.333 10.030 1.00120.44 H new ATOM 0 HG21 ILE A 15 -5.069 -2.556 11.567 1.00120.44 H new ATOM 0 HG22 ILE A 15 -6.805 -2.774 11.243 1.00120.44 H new ATOM 0 HG23 ILE A 15 -5.807 -4.168 11.720 1.00120.44 H new ATOM 0 HD11 ILE A 15 -2.889 -5.716 10.091 1.00120.44 H new ATOM 0 HD12 ILE A 15 -4.158 -5.329 11.276 1.00120.44 H new ATOM 0 HD13 ILE A 15 -4.587 -6.118 9.740 1.00120.44 H new ATOM 234 N THR A 16 -6.989 -6.718 9.775 1.00158.94 N ATOM 235 CA THR A 16 -7.552 -7.698 10.676 1.00158.94 C ATOM 236 C THR A 16 -6.584 -7.948 11.797 1.00158.94 C ATOM 237 O THR A 16 -5.381 -7.731 11.645 1.00158.94 O ATOM 238 CB THR A 16 -7.825 -9.045 9.999 1.00158.94 C ATOM 239 OG1 THR A 16 -6.603 -9.621 9.531 1.00158.94 O ATOM 240 CG2 THR A 16 -8.793 -8.886 8.856 1.00158.94 C ATOM 0 H THR A 16 -6.437 -7.107 9.010 1.00158.94 H new ATOM 0 HA THR A 16 -8.499 -7.291 11.029 1.00158.94 H new ATOM 0 HB THR A 16 -8.272 -9.711 10.737 1.00158.94 H new ATOM 0 HG1 THR A 16 -6.790 -10.482 9.102 1.00158.94 H new ATOM 0 HG21 THR A 16 -8.970 -9.856 8.392 1.00158.94 H new ATOM 0 HG22 THR A 16 -9.735 -8.485 9.230 1.00158.94 H new ATOM 0 HG23 THR A 16 -8.375 -8.202 8.118 1.00158.94 H new ATOM 248 N LEU A 17 -7.089 -8.436 12.911 1.00 50.69 N ATOM 249 CA LEU A 17 -6.221 -8.747 14.034 1.00 50.69 C ATOM 250 C LEU A 17 -5.209 -9.804 13.605 1.00 50.69 C ATOM 251 O LEU A 17 -4.050 -9.783 14.020 1.00 50.69 O ATOM 252 CB LEU A 17 -7.018 -9.224 15.246 1.00 50.69 C ATOM 253 CG LEU A 17 -6.186 -9.436 16.510 1.00 50.69 C ATOM 254 CD1 LEU A 17 -5.599 -8.116 16.992 1.00 50.69 C ATOM 255 CD2 LEU A 17 -7.032 -10.077 17.600 1.00 50.69 C ATOM 0 H LEU A 17 -8.080 -8.625 13.065 1.00 50.69 H new ATOM 0 HA LEU A 17 -5.698 -7.839 14.333 1.00 50.69 H new ATOM 0 HB2 LEU A 17 -7.800 -8.496 15.460 1.00 50.69 H new ATOM 0 HB3 LEU A 17 -7.515 -10.160 14.992 1.00 50.69 H new ATOM 0 HG LEU A 17 -5.362 -10.109 16.273 1.00 50.69 H new ATOM 0 HD11 LEU A 17 -5.010 -8.287 17.893 1.00 50.69 H new ATOM 0 HD12 LEU A 17 -4.960 -7.697 16.215 1.00 50.69 H new ATOM 0 HD13 LEU A 17 -6.406 -7.418 17.214 1.00 50.69 H new ATOM 0 HD21 LEU A 17 -6.425 -10.222 18.494 1.00 50.69 H new ATOM 0 HD22 LEU A 17 -7.875 -9.428 17.835 1.00 50.69 H new ATOM 0 HD23 LEU A 17 -7.402 -11.042 17.253 1.00 50.69 H new ATOM 267 N GLU A 18 -5.663 -10.713 12.742 1.00107.93 N ATOM 268 CA GLU A 18 -4.806 -11.762 12.219 1.00107.93 C ATOM 269 C GLU A 18 -3.768 -11.173 11.275 1.00107.93 C ATOM 270 O GLU A 18 -2.581 -11.493 11.355 1.00107.93 O ATOM 271 CB GLU A 18 -5.644 -12.809 11.491 1.00107.93 C ATOM 272 CG GLU A 18 -6.501 -13.640 12.429 1.00107.93 C ATOM 273 CD GLU A 18 -5.674 -14.472 13.391 1.00107.93 C ATOM 274 OE1 GLU A 18 -4.463 -14.648 13.137 1.00107.93 O ATOM 275 OE2 GLU A 18 -6.237 -14.946 14.400 1.00107.93 O ATOM 0 H GLU A 18 -6.621 -10.739 12.394 1.00107.93 H new ATOM 0 HA GLU A 18 -4.290 -12.240 13.051 1.00107.93 H new ATOM 0 HB2 GLU A 18 -6.287 -12.311 10.765 1.00107.93 H new ATOM 0 HB3 GLU A 18 -4.983 -13.470 10.930 1.00107.93 H new ATOM 0 HG2 GLU A 18 -7.157 -12.980 12.997 1.00107.93 H new ATOM 0 HG3 GLU A 18 -7.141 -14.299 11.843 1.00107.93 H new ATOM 282 N ASP A 19 -4.226 -10.290 10.389 1.00 35.40 N ATOM 283 CA ASP A 19 -3.337 -9.635 9.441 1.00 35.40 C ATOM 284 C ASP A 19 -2.264 -8.841 10.173 1.00 35.40 C ATOM 285 O ASP A 19 -1.108 -8.810 9.751 1.00 35.40 O ATOM 286 CB ASP A 19 -4.124 -8.727 8.493 1.00 35.40 C ATOM 287 CG ASP A 19 -4.883 -9.504 7.429 1.00 35.40 C ATOM 288 OD1 ASP A 19 -4.680 -10.732 7.330 1.00 35.40 O ATOM 289 OD2 ASP A 19 -5.679 -8.880 6.696 1.00 35.40 O ATOM 0 H ASP A 19 -5.205 -10.015 10.311 1.00 35.40 H new ATOM 0 HA ASP A 19 -2.849 -10.407 8.846 1.00 35.40 H new ATOM 0 HB2 ASP A 19 -4.828 -8.129 9.071 1.00 35.40 H new ATOM 0 HB3 ASP A 19 -3.438 -8.032 8.009 1.00 35.40 H new ATOM 294 N LEU A 20 -2.648 -8.206 11.282 1.00 45.47 N ATOM 295 CA LEU A 20 -1.701 -7.425 12.072 1.00 45.47 C ATOM 296 C LEU A 20 -0.543 -8.292 12.528 1.00 45.47 C ATOM 297 O LEU A 20 0.609 -7.888 12.446 1.00 45.47 O ATOM 298 CB LEU A 20 -2.379 -6.790 13.292 1.00 45.47 C ATOM 299 CG LEU A 20 -2.516 -5.270 13.246 1.00 45.47 C ATOM 300 CD1 LEU A 20 -3.023 -4.744 14.585 1.00 45.47 C ATOM 301 CD2 LEU A 20 -1.192 -4.603 12.853 1.00 45.47 C ATOM 0 H LEU A 20 -3.600 -8.218 11.649 1.00 45.47 H new ATOM 0 HA LEU A 20 -1.324 -6.627 11.432 1.00 45.47 H new ATOM 0 HB2 LEU A 20 -3.373 -7.225 13.402 1.00 45.47 H new ATOM 0 HB3 LEU A 20 -1.813 -7.060 14.183 1.00 45.47 H new ATOM 0 HG LEU A 20 -3.247 -5.016 12.478 1.00 45.47 H new ATOM 0 HD11 LEU A 20 -3.116 -3.659 14.538 1.00 45.47 H new ATOM 0 HD12 LEU A 20 -3.997 -5.183 14.803 1.00 45.47 H new ATOM 0 HD13 LEU A 20 -2.319 -5.014 15.372 1.00 45.47 H new ATOM 0 HD21 LEU A 20 -1.323 -3.521 12.829 1.00 45.47 H new ATOM 0 HD22 LEU A 20 -0.424 -4.860 13.583 1.00 45.47 H new ATOM 0 HD23 LEU A 20 -0.887 -4.953 11.867 1.00 45.47 H new ATOM 313 N GLU A 21 -0.859 -9.493 12.995 1.00 91.26 N ATOM 314 CA GLU A 21 0.170 -10.416 13.447 1.00 91.26 C ATOM 315 C GLU A 21 1.126 -10.732 12.306 1.00 91.26 C ATOM 316 O GLU A 21 2.298 -11.024 12.532 1.00 91.26 O ATOM 317 CB GLU A 21 -0.435 -11.707 13.984 1.00 91.26 C ATOM 318 CG GLU A 21 -1.395 -11.496 15.146 1.00 91.26 C ATOM 319 CD GLU A 21 -1.914 -12.800 15.728 1.00 91.26 C ATOM 320 OE1 GLU A 21 -1.638 -13.867 15.142 1.00 91.26 O ATOM 321 OE2 GLU A 21 -2.598 -12.751 16.773 1.00 91.26 O ATOM 0 H GLU A 21 -1.812 -9.848 13.070 1.00 91.26 H new ATOM 0 HA GLU A 21 0.716 -9.934 14.258 1.00 91.26 H new ATOM 0 HB2 GLU A 21 -0.962 -12.214 13.176 1.00 91.26 H new ATOM 0 HB3 GLU A 21 0.369 -12.369 14.305 1.00 91.26 H new ATOM 0 HG2 GLU A 21 -0.891 -10.930 15.929 1.00 91.26 H new ATOM 0 HG3 GLU A 21 -2.238 -10.893 14.809 1.00 91.26 H new ATOM 328 N GLN A 22 0.625 -10.641 11.076 1.00 87.96 N ATOM 329 CA GLN A 22 1.462 -10.892 9.915 1.00 87.96 C ATOM 330 C GLN A 22 2.402 -9.719 9.745 1.00 87.96 C ATOM 331 O GLN A 22 3.605 -9.889 9.554 1.00 87.96 O ATOM 332 CB GLN A 22 0.625 -11.106 8.656 1.00 87.96 C ATOM 333 CG GLN A 22 1.440 -11.627 7.486 1.00 87.96 C ATOM 334 CD GLN A 22 0.578 -12.046 6.314 1.00 87.96 C ATOM 335 OE1 GLN A 22 -0.650 -12.068 6.407 1.00 87.96 O ATOM 336 NE2 GLN A 22 1.216 -12.388 5.203 1.00 87.96 N ATOM 0 H GLN A 22 -0.343 -10.399 10.863 1.00 87.96 H new ATOM 0 HA GLN A 22 2.032 -11.808 10.071 1.00 87.96 H new ATOM 0 HB2 GLN A 22 -0.178 -11.810 8.875 1.00 87.96 H new ATOM 0 HB3 GLN A 22 0.155 -10.164 8.374 1.00 87.96 H new ATOM 0 HG2 GLN A 22 2.137 -10.854 7.161 1.00 87.96 H new ATOM 0 HG3 GLN A 22 2.037 -12.477 7.815 1.00 87.96 H new ATOM 0 HE21 GLN A 22 2.235 -12.355 5.169 1.00 87.96 H new ATOM 0 HE22 GLN A 22 0.688 -12.684 4.382 1.00 87.96 H new ATOM 345 N LEU A 23 1.842 -8.517 9.882 1.00 99.30 N ATOM 346 CA LEU A 23 2.622 -7.299 9.819 1.00 99.30 C ATOM 347 C LEU A 23 3.637 -7.341 10.947 1.00 99.30 C ATOM 348 O LEU A 23 4.831 -7.144 10.750 1.00 99.30 O ATOM 349 CB LEU A 23 1.697 -6.088 10.007 1.00 99.30 C ATOM 350 CG LEU A 23 0.514 -6.011 9.044 1.00 99.30 C ATOM 351 CD1 LEU A 23 -0.282 -4.727 9.263 1.00 99.30 C ATOM 352 CD2 LEU A 23 0.995 -6.122 7.601 1.00 99.30 C ATOM 0 H LEU A 23 0.845 -8.369 10.038 1.00 99.30 H new ATOM 0 HA LEU A 23 3.123 -7.214 8.855 1.00 99.30 H new ATOM 0 HB2 LEU A 23 1.313 -6.101 11.027 1.00 99.30 H new ATOM 0 HB3 LEU A 23 2.290 -5.180 9.901 1.00 99.30 H new ATOM 0 HG LEU A 23 -0.151 -6.851 9.245 1.00 99.30 H new ATOM 0 HD11 LEU A 23 -1.119 -4.695 8.566 1.00 99.30 H new ATOM 0 HD12 LEU A 23 -0.660 -4.703 10.285 1.00 99.30 H new ATOM 0 HD13 LEU A 23 0.364 -3.865 9.095 1.00 99.30 H new ATOM 0 HD21 LEU A 23 0.140 -6.065 6.927 1.00 99.30 H new ATOM 0 HD22 LEU A 23 1.683 -5.306 7.383 1.00 99.30 H new ATOM 0 HD23 LEU A 23 1.506 -7.075 7.460 1.00 99.30 H new ATOM 364 N LYS A 24 3.115 -7.652 12.130 1.00114.71 N ATOM 365 CA LYS A 24 3.910 -7.774 13.343 1.00114.71 C ATOM 366 C LYS A 24 4.995 -8.830 13.175 1.00114.71 C ATOM 367 O LYS A 24 6.119 -8.653 13.642 1.00114.71 O ATOM 368 CB LYS A 24 2.998 -8.140 14.516 1.00114.71 C ATOM 369 CG LYS A 24 2.022 -7.031 14.882 1.00114.71 C ATOM 370 CD LYS A 24 0.893 -7.541 15.763 1.00114.71 C ATOM 371 CE LYS A 24 1.418 -8.096 17.072 1.00114.71 C ATOM 372 NZ LYS A 24 0.320 -8.600 17.941 1.00114.71 N ATOM 0 H LYS A 24 2.120 -7.827 12.272 1.00114.71 H new ATOM 0 HA LYS A 24 4.394 -6.818 13.543 1.00114.71 H new ATOM 0 HB2 LYS A 24 2.438 -9.041 14.266 1.00114.71 H new ATOM 0 HB3 LYS A 24 3.611 -8.377 15.385 1.00114.71 H new ATOM 0 HG2 LYS A 24 2.555 -6.234 15.400 1.00114.71 H new ATOM 0 HG3 LYS A 24 1.606 -6.598 13.972 1.00114.71 H new ATOM 0 HD2 LYS A 24 0.193 -6.730 15.965 1.00114.71 H new ATOM 0 HD3 LYS A 24 0.339 -8.316 15.234 1.00114.71 H new ATOM 0 HE2 LYS A 24 2.120 -8.905 16.868 1.00114.71 H new ATOM 0 HE3 LYS A 24 1.971 -7.319 17.600 1.00114.71 H new ATOM 0 HZ1 LYS A 24 0.513 -8.342 18.930 1.00114.71 H new ATOM 0 HZ2 LYS A 24 -0.582 -8.176 17.642 1.00114.71 H new ATOM 0 HZ3 LYS A 24 0.260 -9.635 17.859 1.00114.71 H new ATOM 386 N SER A 25 4.658 -9.919 12.480 1.00 75.52 N ATOM 387 CA SER A 25 5.619 -10.992 12.226 1.00 75.52 C ATOM 388 C SER A 25 6.784 -10.430 11.430 1.00 75.52 C ATOM 389 O SER A 25 7.951 -10.714 11.702 1.00 75.52 O ATOM 390 CB SER A 25 4.962 -12.143 11.453 1.00 75.52 C ATOM 391 OG SER A 25 3.989 -12.804 12.243 1.00 75.52 O ATOM 0 H SER A 25 3.731 -10.080 12.085 1.00 75.52 H new ATOM 0 HA SER A 25 5.974 -11.386 13.178 1.00 75.52 H new ATOM 0 HB2 SER A 25 4.496 -11.756 10.547 1.00 75.52 H new ATOM 0 HB3 SER A 25 5.725 -12.856 11.140 1.00 75.52 H new ATOM 0 HG SER A 25 3.448 -12.140 12.719 1.00 75.52 H new ATOM 397 N ALA A 26 6.436 -9.588 10.470 1.00 32.46 N ATOM 398 CA ALA A 26 7.406 -8.911 9.641 1.00 32.46 C ATOM 399 C ALA A 26 8.096 -7.824 10.453 1.00 32.46 C ATOM 400 O ALA A 26 9.275 -7.529 10.254 1.00 32.46 O ATOM 401 CB ALA A 26 6.720 -8.325 8.413 1.00 32.46 C ATOM 0 H ALA A 26 5.468 -9.358 10.247 1.00 32.46 H new ATOM 0 HA ALA A 26 8.160 -9.621 9.301 1.00 32.46 H new ATOM 0 HB1 ALA A 26 7.457 -7.816 7.792 1.00 32.46 H new ATOM 0 HB2 ALA A 26 6.254 -9.126 7.839 1.00 32.46 H new ATOM 0 HB3 ALA A 26 5.957 -7.613 8.728 1.00 32.46 H new ATOM 407 N CYS A 27 7.336 -7.229 11.378 1.00 54.89 N ATOM 408 CA CYS A 27 7.856 -6.172 12.230 1.00 54.89 C ATOM 409 C CYS A 27 8.615 -6.724 13.421 1.00 54.89 C ATOM 410 O CYS A 27 9.145 -5.953 14.211 1.00 54.89 O ATOM 411 CB CYS A 27 6.743 -5.275 12.753 1.00 54.89 C ATOM 412 SG CYS A 27 5.709 -4.537 11.475 1.00 54.89 S ATOM 0 H CYS A 27 6.359 -7.466 11.551 1.00 54.89 H new ATOM 0 HA CYS A 27 8.535 -5.593 11.604 1.00 54.89 H new ATOM 0 HB2 CYS A 27 6.110 -5.857 13.423 1.00 54.89 H new ATOM 0 HB3 CYS A 27 7.187 -4.477 13.348 1.00 54.89 H new ATOM 0 HG CYS A 27 4.892 -3.683 12.017 1.00 54.89 H new ATOM 418 N LYS A 28 8.687 -8.047 13.573 1.00157.95 N ATOM 419 CA LYS A 28 9.414 -8.609 14.716 1.00157.95 C ATOM 420 C LYS A 28 10.822 -8.026 14.775 1.00157.95 C ATOM 421 O LYS A 28 11.378 -7.806 15.850 1.00157.95 O ATOM 422 CB LYS A 28 9.482 -10.132 14.627 1.00157.95 C ATOM 423 CG LYS A 28 8.119 -10.793 14.643 1.00157.95 C ATOM 424 CD LYS A 28 7.412 -10.580 15.973 1.00157.95 C ATOM 425 CE LYS A 28 6.028 -11.212 15.984 1.00157.95 C ATOM 426 NZ LYS A 28 5.817 -12.068 17.184 1.00157.95 N ATOM 0 H LYS A 28 8.267 -8.731 12.944 1.00157.95 H new ATOM 0 HA LYS A 28 8.876 -8.345 15.626 1.00157.95 H new ATOM 0 HB2 LYS A 28 10.004 -10.413 13.712 1.00157.95 H new ATOM 0 HB3 LYS A 28 10.073 -10.512 15.461 1.00157.95 H new ATOM 0 HG2 LYS A 28 7.508 -10.389 13.836 1.00157.95 H new ATOM 0 HG3 LYS A 28 8.229 -11.861 14.455 1.00157.95 H new ATOM 0 HD2 LYS A 28 8.013 -11.006 16.776 1.00157.95 H new ATOM 0 HD3 LYS A 28 7.326 -9.512 16.172 1.00157.95 H new ATOM 0 HE2 LYS A 28 5.271 -10.428 15.960 1.00157.95 H new ATOM 0 HE3 LYS A 28 5.895 -11.811 15.083 1.00157.95 H new ATOM 0 HZ1 LYS A 28 4.862 -12.480 17.153 1.00157.95 H new ATOM 0 HZ2 LYS A 28 6.523 -12.831 17.194 1.00157.95 H new ATOM 0 HZ3 LYS A 28 5.918 -11.492 18.044 1.00157.95 H new ATOM 440 N GLU A 29 11.372 -7.757 13.600 1.00243.70 N ATOM 441 CA GLU A 29 12.694 -7.171 13.484 1.00243.70 C ATOM 442 C GLU A 29 12.682 -5.655 13.731 1.00243.70 C ATOM 443 O GLU A 29 13.635 -5.106 14.284 1.00243.70 O ATOM 444 CB GLU A 29 13.269 -7.456 12.096 1.00243.70 C ATOM 445 CG GLU A 29 13.388 -8.938 11.771 1.00243.70 C ATOM 446 CD GLU A 29 14.043 -9.191 10.424 1.00243.70 C ATOM 447 OE1 GLU A 29 14.241 -8.219 9.664 1.00243.70 O ATOM 448 OE2 GLU A 29 14.357 -10.365 10.129 1.00243.70 O ATOM 0 H GLU A 29 10.915 -7.939 12.706 1.00243.70 H new ATOM 0 HA GLU A 29 13.319 -7.627 14.252 1.00243.70 H new ATOM 0 HB2 GLU A 29 12.637 -6.979 11.347 1.00243.70 H new ATOM 0 HB3 GLU A 29 14.255 -6.997 12.020 1.00243.70 H new ATOM 0 HG2 GLU A 29 13.968 -9.432 12.551 1.00243.70 H new ATOM 0 HG3 GLU A 29 12.395 -9.388 11.778 1.00243.70 H new ATOM 455 N ASP A 30 11.626 -4.974 13.272 1.00108.85 N ATOM 456 CA ASP A 30 11.540 -3.515 13.403 1.00108.85 C ATOM 457 C ASP A 30 10.869 -3.047 14.696 1.00108.85 C ATOM 458 O ASP A 30 11.347 -2.118 15.347 1.00108.85 O ATOM 459 CB ASP A 30 10.796 -2.930 12.198 1.00108.85 C ATOM 460 CG ASP A 30 11.551 -3.125 10.895 1.00108.85 C ATOM 461 OD1 ASP A 30 12.727 -3.547 10.945 1.00108.85 O ATOM 462 OD2 ASP A 30 10.966 -2.857 9.825 1.00108.85 O ATOM 0 H ASP A 30 10.825 -5.405 12.810 1.00108.85 H new ATOM 0 HA ASP A 30 12.567 -3.151 13.439 1.00108.85 H new ATOM 0 HB2 ASP A 30 9.815 -3.399 12.119 1.00108.85 H new ATOM 0 HB3 ASP A 30 10.629 -1.865 12.361 1.00108.85 H new ATOM 467 N ILE A 31 9.750 -3.665 15.045 1.00355.97 N ATOM 468 CA ILE A 31 9.004 -3.284 16.231 1.00355.97 C ATOM 469 C ILE A 31 9.208 -4.291 17.368 1.00355.97 C ATOM 470 O ILE A 31 9.206 -5.500 17.136 1.00355.97 O ATOM 471 CB ILE A 31 7.506 -3.110 15.872 1.00355.97 C ATOM 472 CG1 ILE A 31 6.834 -2.149 16.847 1.00355.97 C ATOM 473 CG2 ILE A 31 6.755 -4.432 15.771 1.00355.97 C ATOM 474 CD1 ILE A 31 6.402 -2.761 18.158 1.00355.97 C ATOM 0 H ILE A 31 9.339 -4.436 14.519 1.00355.97 H new ATOM 0 HA ILE A 31 9.382 -2.328 16.594 1.00355.97 H new ATOM 0 HB ILE A 31 7.465 -2.676 14.873 1.00355.97 H new ATOM 0 HG12 ILE A 31 7.521 -1.329 17.056 1.00355.97 H new ATOM 0 HG13 ILE A 31 5.960 -1.716 16.361 1.00355.97 H new ATOM 0 HG21 ILE A 31 5.713 -4.240 15.517 1.00355.97 H new ATOM 0 HG22 ILE A 31 7.209 -5.050 14.996 1.00355.97 H new ATOM 0 HG23 ILE A 31 6.806 -4.953 16.727 1.00355.97 H new ATOM 0 HD11 ILE A 31 5.936 -1.997 18.780 1.00355.97 H new ATOM 0 HD12 ILE A 31 5.686 -3.561 17.968 1.00355.97 H new ATOM 0 HD13 ILE A 31 7.272 -3.168 18.674 1.00355.97 H new ATOM 486 N PRO A 32 9.424 -3.812 18.616 1.00153.08 N ATOM 487 CA PRO A 32 9.666 -4.694 19.759 1.00153.08 C ATOM 488 C PRO A 32 8.507 -5.631 20.076 1.00153.08 C ATOM 489 O PRO A 32 7.341 -5.238 20.031 1.00153.08 O ATOM 490 CB PRO A 32 9.911 -3.731 20.926 1.00153.08 C ATOM 491 CG PRO A 32 9.301 -2.448 20.496 1.00153.08 C ATOM 492 CD PRO A 32 9.482 -2.391 19.010 1.00153.08 C ATOM 0 HA PRO A 32 10.500 -5.365 19.554 1.00153.08 H new ATOM 0 HB2 PRO A 32 9.453 -4.098 21.844 1.00153.08 H new ATOM 0 HB3 PRO A 32 10.976 -3.615 21.126 1.00153.08 H new ATOM 0 HG2 PRO A 32 8.245 -2.407 20.764 1.00153.08 H new ATOM 0 HG3 PRO A 32 9.786 -1.602 20.982 1.00153.08 H new ATOM 0 HD2 PRO A 32 8.698 -1.806 18.530 1.00153.08 H new ATOM 0 HD3 PRO A 32 10.433 -1.934 18.736 1.00153.08 H new ATOM 500 N SER A 33 8.847 -6.873 20.415 1.00 84.70 N ATOM 501 CA SER A 33 7.852 -7.877 20.766 1.00 84.70 C ATOM 502 C SER A 33 7.077 -7.450 22.007 1.00 84.70 C ATOM 503 O SER A 33 5.890 -7.742 22.144 1.00 84.70 O ATOM 504 CB SER A 33 8.526 -9.227 21.008 1.00 84.70 C ATOM 505 OG SER A 33 7.573 -10.226 21.324 1.00 84.70 O ATOM 0 H SER A 33 9.810 -7.207 20.453 1.00 84.70 H new ATOM 0 HA SER A 33 7.153 -7.975 19.935 1.00 84.70 H new ATOM 0 HB2 SER A 33 9.085 -9.522 20.120 1.00 84.70 H new ATOM 0 HB3 SER A 33 9.245 -9.137 21.822 1.00 84.70 H new ATOM 0 HG SER A 33 8.031 -11.080 21.472 1.00 84.70 H new ATOM 511 N GLU A 34 7.762 -6.746 22.906 1.00109.83 N ATOM 512 CA GLU A 34 7.143 -6.264 24.137 1.00109.83 C ATOM 513 C GLU A 34 5.970 -5.344 23.819 1.00109.83 C ATOM 514 O GLU A 34 5.016 -5.244 24.592 1.00109.83 O ATOM 515 CB GLU A 34 8.172 -5.528 24.998 1.00109.83 C ATOM 516 CG GLU A 34 7.644 -5.118 26.364 1.00109.83 C ATOM 517 CD GLU A 34 8.653 -4.319 27.170 1.00109.83 C ATOM 518 OE1 GLU A 34 9.776 -4.094 26.670 1.00109.83 O ATOM 519 OE2 GLU A 34 8.320 -3.920 28.305 1.00109.83 O ATOM 0 H GLU A 34 8.746 -6.497 22.804 1.00109.83 H new ATOM 0 HA GLU A 34 6.771 -7.123 24.694 1.00109.83 H new ATOM 0 HB2 GLU A 34 9.044 -6.168 25.132 1.00109.83 H new ATOM 0 HB3 GLU A 34 8.508 -4.638 24.466 1.00109.83 H new ATOM 0 HG2 GLU A 34 6.738 -4.526 26.235 1.00109.83 H new ATOM 0 HG3 GLU A 34 7.364 -6.011 26.923 1.00109.83 H new ATOM 526 N LYS A 35 6.039 -4.686 22.667 1.00 73.01 N ATOM 527 CA LYS A 35 4.980 -3.789 22.230 1.00 73.01 C ATOM 528 C LYS A 35 4.019 -4.515 21.292 1.00 73.01 C ATOM 529 O LYS A 35 2.844 -4.172 21.206 1.00 73.01 O ATOM 530 CB LYS A 35 5.589 -2.591 21.512 1.00 73.01 C ATOM 531 CG LYS A 35 6.500 -1.769 22.396 1.00 73.01 C ATOM 532 CD LYS A 35 5.699 -0.981 23.415 1.00 73.01 C ATOM 533 CE LYS A 35 6.601 -0.192 24.351 1.00 73.01 C ATOM 534 NZ LYS A 35 7.256 0.952 23.661 1.00 73.01 N ATOM 0 H LYS A 35 6.822 -4.759 22.017 1.00 73.01 H new ATOM 0 HA LYS A 35 4.425 -3.448 23.104 1.00 73.01 H new ATOM 0 HB2 LYS A 35 6.152 -2.941 20.647 1.00 73.01 H new ATOM 0 HB3 LYS A 35 4.788 -1.955 21.135 1.00 73.01 H new ATOM 0 HG2 LYS A 35 7.204 -2.424 22.909 1.00 73.01 H new ATOM 0 HG3 LYS A 35 7.089 -1.086 21.783 1.00 73.01 H new ATOM 0 HD2 LYS A 35 5.024 -0.298 22.898 1.00 73.01 H new ATOM 0 HD3 LYS A 35 5.079 -1.663 23.996 1.00 73.01 H new ATOM 0 HE2 LYS A 35 6.015 0.179 25.192 1.00 73.01 H new ATOM 0 HE3 LYS A 35 7.364 -0.853 24.762 1.00 73.01 H new ATOM 0 HZ1 LYS A 35 7.666 1.595 24.368 1.00 73.01 H new ATOM 0 HZ2 LYS A 35 8.010 0.597 23.039 1.00 73.01 H new ATOM 0 HZ3 LYS A 35 6.551 1.465 23.093 1.00 73.01 H new ATOM 548 N SER A 36 4.532 -5.529 20.604 1.00 80.12 N ATOM 549 CA SER A 36 3.739 -6.324 19.678 1.00 80.12 C ATOM 550 C SER A 36 2.536 -6.955 20.371 1.00 80.12 C ATOM 551 O SER A 36 1.487 -7.155 19.761 1.00 80.12 O ATOM 552 CB SER A 36 4.624 -7.409 19.067 1.00 80.12 C ATOM 553 OG SER A 36 3.905 -8.219 18.157 1.00 80.12 O ATOM 0 H SER A 36 5.507 -5.821 20.673 1.00 80.12 H new ATOM 0 HA SER A 36 3.359 -5.669 18.895 1.00 80.12 H new ATOM 0 HB2 SER A 36 5.467 -6.945 18.554 1.00 80.12 H new ATOM 0 HB3 SER A 36 5.037 -8.032 19.861 1.00 80.12 H new ATOM 0 HG SER A 36 4.502 -8.901 17.784 1.00 80.12 H new ATOM 559 N GLU A 37 2.703 -7.281 21.643 1.00 42.03 N ATOM 560 CA GLU A 37 1.640 -7.909 22.418 1.00 42.03 C ATOM 561 C GLU A 37 0.406 -7.015 22.520 1.00 42.03 C ATOM 562 O GLU A 37 -0.724 -7.503 22.495 1.00 42.03 O ATOM 563 CB GLU A 37 2.158 -8.254 23.813 1.00 42.03 C ATOM 564 CG GLU A 37 3.301 -9.256 23.803 1.00 42.03 C ATOM 565 CD GLU A 37 3.784 -9.612 25.197 1.00 42.03 C ATOM 566 OE1 GLU A 37 3.357 -8.945 26.165 1.00 42.03 O ATOM 567 OE2 GLU A 37 4.590 -10.557 25.323 1.00 42.03 O ATOM 0 H GLU A 37 3.566 -7.121 22.163 1.00 42.03 H new ATOM 0 HA GLU A 37 1.340 -8.820 21.901 1.00 42.03 H new ATOM 0 HB2 GLU A 37 2.490 -7.340 24.305 1.00 42.03 H new ATOM 0 HB3 GLU A 37 1.338 -8.656 24.408 1.00 42.03 H new ATOM 0 HG2 GLU A 37 2.978 -10.163 23.293 1.00 42.03 H new ATOM 0 HG3 GLU A 37 4.132 -8.846 23.229 1.00 42.03 H new ATOM 574 N GLU A 38 0.621 -5.708 22.640 1.00 75.99 N ATOM 575 CA GLU A 38 -0.489 -4.763 22.751 1.00 75.99 C ATOM 576 C GLU A 38 -0.968 -4.247 21.399 1.00 75.99 C ATOM 577 O GLU A 38 -1.865 -3.407 21.340 1.00 75.99 O ATOM 578 CB GLU A 38 -0.111 -3.584 23.642 1.00 75.99 C ATOM 579 CG GLU A 38 1.087 -2.793 23.137 1.00 75.99 C ATOM 580 CD GLU A 38 1.418 -1.607 24.023 1.00 75.99 C ATOM 581 OE1 GLU A 38 1.523 -1.797 25.252 1.00 75.99 O ATOM 582 OE2 GLU A 38 1.570 -0.489 23.487 1.00 75.99 O ATOM 0 H GLU A 38 1.547 -5.280 22.663 1.00 75.99 H new ATOM 0 HA GLU A 38 -1.313 -5.316 23.202 1.00 75.99 H new ATOM 0 HB2 GLU A 38 -0.967 -2.915 23.726 1.00 75.99 H new ATOM 0 HB3 GLU A 38 0.105 -3.953 24.645 1.00 75.99 H new ATOM 0 HG2 GLU A 38 1.954 -3.451 23.078 1.00 75.99 H new ATOM 0 HG3 GLU A 38 0.885 -2.441 22.125 1.00 75.99 H new ATOM 589 N ILE A 39 -0.385 -4.742 20.322 1.00131.16 N ATOM 590 CA ILE A 39 -0.784 -4.310 18.992 1.00131.16 C ATOM 591 C ILE A 39 -1.918 -5.177 18.464 1.00131.16 C ATOM 592 O ILE A 39 -1.725 -6.039 17.607 1.00131.16 O ATOM 593 CB ILE A 39 0.418 -4.286 18.021 1.00131.16 C ATOM 594 CG1 ILE A 39 1.409 -3.236 18.510 1.00131.16 C ATOM 595 CG2 ILE A 39 -0.018 -3.978 16.591 1.00131.16 C ATOM 596 CD1 ILE A 39 2.700 -3.200 17.737 1.00131.16 C ATOM 0 H ILE A 39 0.361 -5.438 20.340 1.00131.16 H new ATOM 0 HA ILE A 39 -1.153 -3.287 19.065 1.00131.16 H new ATOM 0 HB ILE A 39 0.884 -5.272 18.007 1.00131.16 H new ATOM 0 HG12 ILE A 39 0.938 -2.255 18.455 1.00131.16 H new ATOM 0 HG13 ILE A 39 1.632 -3.424 19.560 1.00131.16 H new ATOM 0 HG21 ILE A 39 0.855 -3.970 15.938 1.00131.16 H new ATOM 0 HG22 ILE A 39 -0.718 -4.742 16.252 1.00131.16 H new ATOM 0 HG23 ILE A 39 -0.503 -3.002 16.561 1.00131.16 H new ATOM 0 HD11 ILE A 39 3.349 -2.427 18.148 1.00131.16 H new ATOM 0 HD12 ILE A 39 3.196 -4.168 17.812 1.00131.16 H new ATOM 0 HD13 ILE A 39 2.491 -2.980 16.690 1.00131.16 H new ATOM 608 N THR A 40 -3.106 -4.910 18.985 1.00160.31 N ATOM 609 CA THR A 40 -4.312 -5.628 18.584 1.00160.31 C ATOM 610 C THR A 40 -5.089 -4.864 17.499 1.00160.31 C ATOM 611 O THR A 40 -6.129 -5.323 17.026 1.00160.31 O ATOM 612 CB THR A 40 -5.235 -5.945 19.800 1.00160.31 C ATOM 613 OG1 THR A 40 -6.606 -6.034 19.385 1.00160.31 O ATOM 614 CG2 THR A 40 -5.108 -4.898 20.909 1.00160.31 C ATOM 0 H THR A 40 -3.264 -4.194 19.694 1.00160.31 H new ATOM 0 HA THR A 40 -3.984 -6.578 18.162 1.00160.31 H new ATOM 0 HB THR A 40 -4.909 -6.905 20.201 1.00160.31 H new ATOM 0 HG1 THR A 40 -6.702 -5.652 18.488 1.00160.31 H new ATOM 0 HG21 THR A 40 -5.769 -5.161 21.735 1.00160.31 H new ATOM 0 HG22 THR A 40 -4.078 -4.868 21.264 1.00160.31 H new ATOM 0 HG23 THR A 40 -5.386 -3.919 20.519 1.00160.31 H new ATOM 622 N THR A 41 -4.566 -3.707 17.108 1.00182.91 N ATOM 623 CA THR A 41 -5.173 -2.869 16.083 1.00182.91 C ATOM 624 C THR A 41 -4.124 -2.092 15.335 1.00182.91 C ATOM 625 O THR A 41 -3.104 -1.698 15.901 1.00182.91 O ATOM 626 CB THR A 41 -6.215 -1.864 16.654 1.00182.91 C ATOM 627 OG1 THR A 41 -6.288 -0.682 15.839 1.00182.91 O ATOM 628 CG2 THR A 41 -5.931 -1.451 18.100 1.00182.91 C ATOM 0 H THR A 41 -3.704 -3.323 17.496 1.00182.91 H new ATOM 0 HA THR A 41 -5.692 -3.554 15.413 1.00182.91 H new ATOM 0 HB THR A 41 -7.168 -2.393 16.641 1.00182.91 H new ATOM 0 HG1 THR A 41 -7.193 -0.309 15.884 1.00182.91 H new ATOM 0 HG21 THR A 41 -6.695 -0.750 18.435 1.00182.91 H new ATOM 0 HG22 THR A 41 -5.943 -2.334 18.740 1.00182.91 H new ATOM 0 HG23 THR A 41 -4.952 -0.975 18.157 1.00182.91 H new ATOM 636 N GLY A 42 -4.417 -1.804 14.073 1.00 66.60 N ATOM 637 CA GLY A 42 -3.514 -0.992 13.295 1.00 66.60 C ATOM 638 C GLY A 42 -3.391 0.367 13.954 1.00 66.60 C ATOM 639 O GLY A 42 -2.331 0.990 13.937 1.00 66.60 O ATOM 0 H GLY A 42 -5.255 -2.116 13.582 1.00 66.60 H new ATOM 0 HA2 GLY A 42 -2.537 -1.470 13.230 1.00 66.60 H new ATOM 0 HA3 GLY A 42 -3.885 -0.885 12.276 1.00 66.60 H new ATOM 643 N SER A 43 -4.489 0.787 14.598 1.00 41.24 N ATOM 644 CA SER A 43 -4.504 2.033 15.335 1.00 41.24 C ATOM 645 C SER A 43 -3.539 1.929 16.509 1.00 41.24 C ATOM 646 O SER A 43 -2.783 2.853 16.797 1.00 41.24 O ATOM 647 CB SER A 43 -5.916 2.350 15.833 1.00 41.24 C ATOM 648 OG SER A 43 -6.838 2.384 14.758 1.00 41.24 O ATOM 0 H SER A 43 -5.371 0.275 14.616 1.00 41.24 H new ATOM 0 HA SER A 43 -4.191 2.843 14.676 1.00 41.24 H new ATOM 0 HB2 SER A 43 -6.226 1.599 16.559 1.00 41.24 H new ATOM 0 HB3 SER A 43 -5.917 3.311 16.348 1.00 41.24 H new ATOM 0 HG SER A 43 -7.733 2.587 15.101 1.00 41.24 H new ATOM 654 N ALA A 44 -3.575 0.770 17.172 1.00 31.60 N ATOM 655 CA ALA A 44 -2.704 0.506 18.314 1.00 31.60 C ATOM 656 C ALA A 44 -1.246 0.501 17.894 1.00 31.60 C ATOM 657 O ALA A 44 -0.361 0.906 18.649 1.00 31.60 O ATOM 658 CB ALA A 44 -3.053 -0.833 18.939 1.00 31.60 C ATOM 0 H ALA A 44 -4.200 -0.000 16.935 1.00 31.60 H new ATOM 0 HA ALA A 44 -2.856 1.301 19.044 1.00 31.60 H new ATOM 0 HB1 ALA A 44 -2.397 -1.019 19.790 1.00 31.60 H new ATOM 0 HB2 ALA A 44 -4.089 -0.818 19.276 1.00 31.60 H new ATOM 0 HB3 ALA A 44 -2.923 -1.624 18.200 1.00 31.60 H new ATOM 664 N TRP A 45 -1.010 0.031 16.681 1.00 71.86 N ATOM 665 CA TRP A 45 0.330 -0.046 16.135 1.00 71.86 C ATOM 666 C TRP A 45 0.770 1.312 15.668 1.00 71.86 C ATOM 667 O TRP A 45 1.813 1.812 16.082 1.00 71.86 O ATOM 668 CB TRP A 45 0.358 -1.019 14.972 1.00 71.86 C ATOM 669 CG TRP A 45 1.727 -1.265 14.444 1.00 71.86 C ATOM 670 CD1 TRP A 45 2.891 -1.367 15.154 1.00 71.86 C ATOM 671 CD2 TRP A 45 2.071 -1.439 13.078 1.00 71.86 C ATOM 672 NE1 TRP A 45 3.938 -1.589 14.297 1.00 71.86 N ATOM 673 CE2 TRP A 45 3.459 -1.633 13.018 1.00 71.86 C ATOM 674 CE3 TRP A 45 1.334 -1.445 11.900 1.00 71.86 C ATOM 675 CZ2 TRP A 45 4.127 -1.832 11.820 1.00 71.86 C ATOM 676 CZ3 TRP A 45 1.992 -1.646 10.710 1.00 71.86 C ATOM 677 CH2 TRP A 45 3.382 -1.836 10.671 1.00 71.86 C ATOM 0 H TRP A 45 -1.739 -0.306 16.052 1.00 71.86 H new ATOM 0 HA TRP A 45 1.010 -0.396 16.912 1.00 71.86 H new ATOM 0 HB2 TRP A 45 -0.077 -1.967 15.289 1.00 71.86 H new ATOM 0 HB3 TRP A 45 -0.270 -0.633 14.169 1.00 71.86 H new ATOM 0 HD1 TRP A 45 2.973 -1.285 16.228 1.00 71.86 H new ATOM 0 HE1 TRP A 45 4.914 -1.703 14.569 1.00 71.86 H new ATOM 0 HE3 TRP A 45 0.265 -1.295 11.919 1.00 71.86 H new ATOM 0 HZ2 TRP A 45 5.197 -1.979 11.794 1.00 71.86 H new ATOM 0 HZ3 TRP A 45 1.429 -1.658 9.788 1.00 71.86 H new ATOM 0 HH2 TRP A 45 3.872 -1.988 9.720 1.00 71.86 H new ATOM 688 N PHE A 46 -0.039 1.928 14.816 1.00 81.71 N ATOM 689 CA PHE A 46 0.274 3.247 14.321 1.00 81.71 C ATOM 690 C PHE A 46 0.454 4.207 15.484 1.00 81.71 C ATOM 691 O PHE A 46 1.344 5.040 15.472 1.00 81.71 O ATOM 692 CB PHE A 46 -0.838 3.749 13.416 1.00 81.71 C ATOM 693 CG PHE A 46 -0.962 2.991 12.134 1.00 81.71 C ATOM 694 CD1 PHE A 46 0.153 2.704 11.368 1.00 81.71 C ATOM 695 CD2 PHE A 46 -2.203 2.587 11.683 1.00 81.71 C ATOM 696 CE1 PHE A 46 0.028 2.033 10.166 1.00 81.71 C ATOM 697 CE2 PHE A 46 -2.334 1.915 10.487 1.00 81.71 C ATOM 698 CZ PHE A 46 -1.221 1.643 9.725 1.00 81.71 C ATOM 0 H PHE A 46 -0.909 1.533 14.460 1.00 81.71 H new ATOM 0 HA PHE A 46 1.200 3.193 13.749 1.00 81.71 H new ATOM 0 HB2 PHE A 46 -1.785 3.692 13.954 1.00 81.71 H new ATOM 0 HB3 PHE A 46 -0.662 4.801 13.190 1.00 81.71 H new ATOM 0 HD1 PHE A 46 1.131 3.007 11.712 1.00 81.71 H new ATOM 0 HD2 PHE A 46 -3.081 2.800 12.274 1.00 81.71 H new ATOM 0 HE1 PHE A 46 0.904 1.815 9.574 1.00 81.71 H new ATOM 0 HE2 PHE A 46 -3.310 1.602 10.148 1.00 81.71 H new ATOM 0 HZ PHE A 46 -1.324 1.125 8.783 1.00 81.71 H new ATOM 708 N SER A 47 -0.392 4.071 16.501 1.00 81.62 N ATOM 709 CA SER A 47 -0.288 4.931 17.673 1.00 81.62 C ATOM 710 C SER A 47 1.031 4.694 18.382 1.00 81.62 C ATOM 711 O SER A 47 1.711 5.645 18.769 1.00 81.62 O ATOM 712 CB SER A 47 -1.465 4.709 18.625 1.00 81.62 C ATOM 713 OG SER A 47 -2.696 5.017 17.994 1.00 81.62 O ATOM 0 H SER A 47 -1.146 3.385 16.537 1.00 81.62 H new ATOM 0 HA SER A 47 -0.322 5.968 17.341 1.00 81.62 H new ATOM 0 HB2 SER A 47 -1.474 3.672 18.961 1.00 81.62 H new ATOM 0 HB3 SER A 47 -1.342 5.331 19.512 1.00 81.62 H new ATOM 0 HG SER A 47 -2.789 4.480 17.179 1.00 81.62 H new ATOM 719 N PHE A 48 1.427 3.429 18.507 1.00 49.76 N ATOM 720 CA PHE A 48 2.702 3.112 19.116 1.00 49.76 C ATOM 721 C PHE A 48 3.802 3.673 18.207 1.00 49.76 C ATOM 722 O PHE A 48 4.713 4.370 18.652 1.00 49.76 O ATOM 723 CB PHE A 48 2.844 1.593 19.306 1.00 49.76 C ATOM 724 CG PHE A 48 4.265 1.152 19.244 1.00 49.76 C ATOM 725 CD1 PHE A 48 4.817 0.848 18.027 1.00 49.76 C ATOM 726 CD2 PHE A 48 5.052 1.126 20.372 1.00 49.76 C ATOM 727 CE1 PHE A 48 6.143 0.515 17.924 1.00 49.76 C ATOM 728 CE2 PHE A 48 6.384 0.780 20.287 1.00 49.76 C ATOM 729 CZ PHE A 48 6.935 0.474 19.057 1.00 49.76 C ATOM 0 H PHE A 48 0.887 2.621 18.197 1.00 49.76 H new ATOM 0 HA PHE A 48 2.781 3.561 20.106 1.00 49.76 H new ATOM 0 HB2 PHE A 48 2.417 1.307 20.267 1.00 49.76 H new ATOM 0 HB3 PHE A 48 2.270 1.076 18.536 1.00 49.76 H new ATOM 0 HD1 PHE A 48 4.201 0.871 17.140 1.00 49.76 H new ATOM 0 HD2 PHE A 48 4.624 1.378 21.331 1.00 49.76 H new ATOM 0 HE1 PHE A 48 6.569 0.285 16.959 1.00 49.76 H new ATOM 0 HE2 PHE A 48 6.994 0.748 21.178 1.00 49.76 H new ATOM 0 HZ PHE A 48 7.978 0.204 18.981 1.00 49.76 H new ATOM 739 N LEU A 49 3.672 3.365 16.917 1.00 52.14 N ATOM 740 CA LEU A 49 4.606 3.829 15.899 1.00 52.14 C ATOM 741 C LEU A 49 4.726 5.354 15.975 1.00 52.14 C ATOM 742 O LEU A 49 5.825 5.908 15.988 1.00 52.14 O ATOM 743 CB LEU A 49 4.097 3.393 14.516 1.00 52.14 C ATOM 744 CG LEU A 49 4.904 2.299 13.805 1.00 52.14 C ATOM 745 CD1 LEU A 49 5.224 1.154 14.755 1.00 52.14 C ATOM 746 CD2 LEU A 49 4.135 1.785 12.599 1.00 52.14 C ATOM 0 H LEU A 49 2.916 2.787 16.551 1.00 52.14 H new ATOM 0 HA LEU A 49 5.592 3.395 16.066 1.00 52.14 H new ATOM 0 HB2 LEU A 49 3.070 3.044 14.625 1.00 52.14 H new ATOM 0 HB3 LEU A 49 4.069 4.271 13.870 1.00 52.14 H new ATOM 0 HG LEU A 49 5.846 2.732 13.468 1.00 52.14 H new ATOM 0 HD11 LEU A 49 5.796 0.392 14.226 1.00 52.14 H new ATOM 0 HD12 LEU A 49 5.809 1.530 15.594 1.00 52.14 H new ATOM 0 HD13 LEU A 49 4.296 0.719 15.126 1.00 52.14 H new ATOM 0 HD21 LEU A 49 4.716 1.009 12.101 1.00 52.14 H new ATOM 0 HD22 LEU A 49 3.181 1.371 12.925 1.00 52.14 H new ATOM 0 HD23 LEU A 49 3.956 2.606 11.905 1.00 52.14 H new ATOM 758 N GLU A 50 3.569 6.016 16.058 1.00 63.10 N ATOM 759 CA GLU A 50 3.518 7.470 16.172 1.00 63.10 C ATOM 760 C GLU A 50 4.155 7.911 17.478 1.00 63.10 C ATOM 761 O GLU A 50 4.904 8.886 17.525 1.00 63.10 O ATOM 762 CB GLU A 50 2.079 7.992 16.104 1.00 63.10 C ATOM 763 CG GLU A 50 1.466 7.944 14.712 1.00 63.10 C ATOM 764 CD GLU A 50 0.085 8.574 14.654 1.00 63.10 C ATOM 765 OE1 GLU A 50 -0.448 8.947 15.722 1.00 63.10 O ATOM 766 OE2 GLU A 50 -0.461 8.697 13.538 1.00 63.10 O ATOM 0 H GLU A 50 2.655 5.564 16.048 1.00 63.10 H new ATOM 0 HA GLU A 50 4.071 7.887 15.330 1.00 63.10 H new ATOM 0 HB2 GLU A 50 1.459 7.406 16.783 1.00 63.10 H new ATOM 0 HB3 GLU A 50 2.060 9.021 16.463 1.00 63.10 H new ATOM 0 HG2 GLU A 50 2.125 8.459 14.012 1.00 63.10 H new ATOM 0 HG3 GLU A 50 1.401 6.906 14.384 1.00 63.10 H new ATOM 773 N SER A 51 3.858 7.168 18.540 1.00 75.02 N ATOM 774 CA SER A 51 4.412 7.463 19.859 1.00 75.02 C ATOM 775 C SER A 51 5.937 7.427 19.815 1.00 75.02 C ATOM 776 O SER A 51 6.610 8.130 20.569 1.00 75.02 O ATOM 777 CB SER A 51 3.896 6.464 20.897 1.00 75.02 C ATOM 778 OG SER A 51 2.482 6.499 20.981 1.00 75.02 O ATOM 0 H SER A 51 3.238 6.358 18.514 1.00 75.02 H new ATOM 0 HA SER A 51 4.090 8.463 20.148 1.00 75.02 H new ATOM 0 HB2 SER A 51 4.223 5.458 20.632 1.00 75.02 H new ATOM 0 HB3 SER A 51 4.327 6.693 21.872 1.00 75.02 H new ATOM 0 HG SER A 51 2.104 5.770 20.446 1.00 75.02 H new ATOM 784 N HIS A 52 6.472 6.608 18.913 1.00122.90 N ATOM 785 CA HIS A 52 7.912 6.477 18.746 1.00122.90 C ATOM 786 C HIS A 52 8.345 7.156 17.451 1.00122.90 C ATOM 787 O HIS A 52 7.539 7.809 16.787 1.00122.90 O ATOM 788 CB HIS A 52 8.308 5.001 18.726 1.00122.90 C ATOM 789 CG HIS A 52 8.107 4.327 20.038 1.00122.90 C ATOM 790 ND1 HIS A 52 9.118 3.727 20.755 1.00122.90 N ATOM 791 CD2 HIS A 52 6.987 4.174 20.760 1.00122.90 C ATOM 792 CE1 HIS A 52 8.621 3.231 21.874 1.00122.90 C ATOM 793 NE2 HIS A 52 7.325 3.489 21.901 1.00122.90 N ATOM 0 H HIS A 52 5.923 6.022 18.284 1.00122.90 H new ATOM 0 HA HIS A 52 8.413 6.960 19.585 1.00122.90 H new ATOM 0 HB2 HIS A 52 7.724 4.484 17.965 1.00122.90 H new ATOM 0 HB3 HIS A 52 9.355 4.915 18.436 1.00122.90 H new ATOM 0 HD1 HIS A 52 10.095 3.674 20.468 1.00122.90 H new ATOM 0 HD2 HIS A 52 6.001 4.525 20.493 1.00122.90 H new ATOM 0 HE1 HIS A 52 9.178 2.705 22.636 1.00122.90 H new ATOM 801 N ASN A 53 9.612 7.000 17.088 1.00225.56 N ATOM 802 CA ASN A 53 10.132 7.599 15.865 1.00225.56 C ATOM 803 C ASN A 53 10.045 6.626 14.690 1.00225.56 C ATOM 804 O ASN A 53 10.922 6.601 13.826 1.00225.56 O ATOM 805 CB ASN A 53 11.578 8.064 16.076 1.00225.56 C ATOM 806 CG ASN A 53 12.547 6.910 16.262 1.00225.56 C ATOM 807 OD1 ASN A 53 12.155 5.745 16.229 1.00225.56 O ATOM 808 ND2 ASN A 53 13.820 7.233 16.463 1.00225.56 N ATOM 0 H ASN A 53 10.297 6.465 17.622 1.00225.56 H new ATOM 0 HA ASN A 53 9.516 8.465 15.623 1.00225.56 H new ATOM 0 HB2 ASN A 53 11.891 8.661 15.219 1.00225.56 H new ATOM 0 HB3 ASN A 53 11.622 8.714 16.950 1.00225.56 H new ATOM 0 HD21 ASN A 53 14.517 6.500 16.598 1.00225.56 H new ATOM 0 HD22 ASN A 53 14.100 8.214 16.483 1.00225.56 H new ATOM 815 N LYS A 54 8.986 5.821 14.665 1.00217.59 N ATOM 816 CA LYS A 54 8.795 4.849 13.598 1.00217.59 C ATOM 817 C LYS A 54 7.791 5.334 12.560 1.00217.59 C ATOM 818 O LYS A 54 7.725 4.785 11.463 1.00217.59 O ATOM 819 CB LYS A 54 8.286 3.530 14.169 1.00217.59 C ATOM 820 CG LYS A 54 9.153 2.954 15.274 1.00217.59 C ATOM 821 CD LYS A 54 10.560 2.667 14.783 1.00217.59 C ATOM 822 CE LYS A 54 10.560 1.641 13.663 1.00217.59 C ATOM 823 NZ LYS A 54 11.938 1.188 13.323 1.00217.59 N ATOM 0 H LYS A 54 8.250 5.824 15.371 1.00217.59 H new ATOM 0 HA LYS A 54 9.764 4.713 13.119 1.00217.59 H new ATOM 0 HB2 LYS A 54 7.277 3.679 14.554 1.00217.59 H new ATOM 0 HB3 LYS A 54 8.214 2.801 13.362 1.00217.59 H new ATOM 0 HG2 LYS A 54 9.193 3.654 16.109 1.00217.59 H new ATOM 0 HG3 LYS A 54 8.703 2.035 15.650 1.00217.59 H new ATOM 0 HD2 LYS A 54 11.019 3.591 14.432 1.00217.59 H new ATOM 0 HD3 LYS A 54 11.168 2.303 15.611 1.00217.59 H new ATOM 0 HE2 LYS A 54 9.958 0.782 13.958 1.00217.59 H new ATOM 0 HE3 LYS A 54 10.090 2.070 12.778 1.00217.59 H new ATOM 0 HZ1 LYS A 54 11.894 0.489 12.555 1.00217.59 H new ATOM 0 HZ2 LYS A 54 12.506 2.004 13.017 1.00217.59 H new ATOM 0 HZ3 LYS A 54 12.378 0.755 14.160 1.00217.59 H new ATOM 837 N LEU A 55 6.999 6.350 12.895 1.00 97.75 N ATOM 838 CA LEU A 55 6.008 6.839 11.947 1.00 97.75 C ATOM 839 C LEU A 55 5.552 8.266 12.216 1.00 97.75 C ATOM 840 O LEU A 55 4.755 8.534 13.116 1.00 97.75 O ATOM 841 CB LEU A 55 4.800 5.923 11.950 1.00 97.75 C ATOM 842 CG LEU A 55 3.689 6.331 10.990 1.00 97.75 C ATOM 843 CD1 LEU A 55 2.973 5.113 10.443 1.00 97.75 C ATOM 844 CD2 LEU A 55 2.712 7.258 11.693 1.00 97.75 C ATOM 0 H LEU A 55 7.023 6.838 13.791 1.00 97.75 H new ATOM 0 HA LEU A 55 6.496 6.842 10.972 1.00 97.75 H new ATOM 0 HB2 LEU A 55 5.126 4.914 11.699 1.00 97.75 H new ATOM 0 HB3 LEU A 55 4.393 5.885 12.960 1.00 97.75 H new ATOM 0 HG LEU A 55 4.134 6.862 10.148 1.00 97.75 H new ATOM 0 HD11 LEU A 55 2.185 5.430 9.760 1.00 97.75 H new ATOM 0 HD12 LEU A 55 3.684 4.483 9.909 1.00 97.75 H new ATOM 0 HD13 LEU A 55 2.535 4.548 11.266 1.00 97.75 H new ATOM 0 HD21 LEU A 55 1.921 7.545 11.001 1.00 97.75 H new ATOM 0 HD22 LEU A 55 2.276 6.745 12.550 1.00 97.75 H new ATOM 0 HD23 LEU A 55 3.238 8.150 12.034 1.00 97.75 H new ATOM 856 N ASP A 56 6.028 9.155 11.367 1.00109.16 N ATOM 857 CA ASP A 56 5.659 10.563 11.408 1.00109.16 C ATOM 858 C ASP A 56 4.360 10.772 10.635 1.00109.16 C ATOM 859 O ASP A 56 3.767 9.813 10.146 1.00109.16 O ATOM 860 CB ASP A 56 6.772 11.439 10.827 1.00109.16 C ATOM 861 CG ASP A 56 8.053 11.361 11.634 1.00109.16 C ATOM 862 OD1 ASP A 56 8.004 10.873 12.783 1.00109.16 O ATOM 863 OD2 ASP A 56 9.106 11.791 11.118 1.00109.16 O ATOM 0 H ASP A 56 6.686 8.923 10.623 1.00109.16 H new ATOM 0 HA ASP A 56 5.512 10.856 12.448 1.00109.16 H new ATOM 0 HB2 ASP A 56 6.974 11.132 9.801 1.00109.16 H new ATOM 0 HB3 ASP A 56 6.433 12.474 10.789 1.00109.16 H new ATOM 868 N LYS A 57 3.939 12.022 10.499 1.00 65.03 N ATOM 869 CA LYS A 57 2.724 12.336 9.749 1.00 65.03 C ATOM 870 C LYS A 57 2.952 12.104 8.248 1.00 65.03 C ATOM 871 O LYS A 57 2.007 11.872 7.495 1.00 65.03 O ATOM 872 CB LYS A 57 2.246 13.775 10.047 1.00 65.03 C ATOM 873 CG LYS A 57 2.753 14.861 9.100 1.00 65.03 C ATOM 874 CD LYS A 57 4.256 14.791 8.892 1.00 65.03 C ATOM 875 CE LYS A 57 4.930 16.132 9.130 1.00 65.03 C ATOM 876 NZ LYS A 57 4.679 16.658 10.502 1.00 65.03 N ATOM 0 H LYS A 57 4.415 12.833 10.894 1.00 65.03 H new ATOM 0 HA LYS A 57 1.928 11.665 10.071 1.00 65.03 H new ATOM 0 HB2 LYS A 57 1.156 13.785 10.029 1.00 65.03 H new ATOM 0 HB3 LYS A 57 2.550 14.035 11.061 1.00 65.03 H new ATOM 0 HG2 LYS A 57 2.251 14.764 8.138 1.00 65.03 H new ATOM 0 HG3 LYS A 57 2.489 15.840 9.500 1.00 65.03 H new ATOM 0 HD2 LYS A 57 4.681 14.048 9.567 1.00 65.03 H new ATOM 0 HD3 LYS A 57 4.466 14.456 7.876 1.00 65.03 H new ATOM 0 HE2 LYS A 57 6.004 16.029 8.974 1.00 65.03 H new ATOM 0 HE3 LYS A 57 4.569 16.852 8.396 1.00 65.03 H new ATOM 0 HZ1 LYS A 57 5.488 17.237 10.805 1.00 65.03 H new ATOM 0 HZ2 LYS A 57 3.818 17.241 10.498 1.00 65.03 H new ATOM 0 HZ3 LYS A 57 4.556 15.863 11.161 1.00 65.03 H new ATOM 890 N ASP A 58 4.213 12.183 7.820 1.00165.72 N ATOM 891 CA ASP A 58 4.564 11.992 6.418 1.00165.72 C ATOM 892 C ASP A 58 5.452 10.764 6.208 1.00165.72 C ATOM 893 O ASP A 58 5.571 10.267 5.089 1.00165.72 O ATOM 894 CB ASP A 58 5.282 13.231 5.890 1.00165.72 C ATOM 895 CG ASP A 58 6.521 13.573 6.697 1.00165.72 C ATOM 896 OD1 ASP A 58 6.652 13.064 7.830 1.00165.72 O ATOM 897 OD2 ASP A 58 7.359 14.353 6.196 1.00165.72 O ATOM 0 H ASP A 58 5.008 12.379 8.429 1.00165.72 H new ATOM 0 HA ASP A 58 3.636 11.831 5.870 1.00165.72 H new ATOM 0 HB2 ASP A 58 5.564 13.068 4.850 1.00165.72 H new ATOM 0 HB3 ASP A 58 4.597 14.078 5.906 1.00165.72 H new ATOM 902 N ASN A 59 6.082 10.281 7.276 1.00 98.89 N ATOM 903 CA ASN A 59 6.964 9.116 7.166 1.00 98.89 C ATOM 904 C ASN A 59 6.200 7.814 7.345 1.00 98.89 C ATOM 905 O ASN A 59 5.801 7.448 8.450 1.00 98.89 O ATOM 906 CB ASN A 59 8.102 9.191 8.185 1.00 98.89 C ATOM 907 CG ASN A 59 9.129 10.247 7.833 1.00 98.89 C ATOM 908 OD1 ASN A 59 10.284 9.935 7.540 1.00 98.89 O ATOM 909 ND2 ASN A 59 8.713 11.506 7.861 1.00 98.89 N ATOM 0 H ASN A 59 6.002 10.669 8.216 1.00 98.89 H new ATOM 0 HA ASN A 59 7.386 9.131 6.161 1.00 98.89 H new ATOM 0 HB2 ASN A 59 7.689 9.405 9.171 1.00 98.89 H new ATOM 0 HB3 ASN A 59 8.592 8.220 8.249 1.00 98.89 H new ATOM 0 HD21 ASN A 59 9.359 12.262 7.634 1.00 98.89 H new ATOM 0 HD22 ASN A 59 7.747 11.718 8.109 1.00 98.89 H new ATOM 916 N LEU A 60 6.035 7.111 6.235 1.00196.24 N ATOM 917 CA LEU A 60 5.359 5.822 6.214 1.00196.24 C ATOM 918 C LEU A 60 6.236 4.769 5.530 1.00196.24 C ATOM 919 O LEU A 60 5.773 3.668 5.233 1.00196.24 O ATOM 920 CB LEU A 60 4.025 5.929 5.472 1.00196.24 C ATOM 921 CG LEU A 60 4.038 6.855 4.246 1.00196.24 C ATOM 922 CD1 LEU A 60 3.403 6.173 3.040 1.00196.24 C ATOM 923 CD2 LEU A 60 3.330 8.163 4.563 1.00196.24 C ATOM 0 H LEU A 60 6.367 7.419 5.321 1.00196.24 H new ATOM 0 HA LEU A 60 5.173 5.521 7.245 1.00196.24 H new ATOM 0 HB2 LEU A 60 3.723 4.932 5.152 1.00196.24 H new ATOM 0 HB3 LEU A 60 3.266 6.284 6.169 1.00196.24 H new ATOM 0 HG LEU A 60 5.075 7.076 3.995 1.00196.24 H new ATOM 0 HD11 LEU A 60 3.425 6.850 2.186 1.00196.24 H new ATOM 0 HD12 LEU A 60 3.959 5.267 2.800 1.00196.24 H new ATOM 0 HD13 LEU A 60 2.370 5.914 3.271 1.00196.24 H new ATOM 0 HD21 LEU A 60 3.348 8.808 3.685 1.00196.24 H new ATOM 0 HD22 LEU A 60 2.296 7.959 4.843 1.00196.24 H new ATOM 0 HD23 LEU A 60 3.838 8.661 5.389 1.00196.24 H new ATOM 935 N SER A 61 7.499 5.118 5.255 1.00 66.14 N ATOM 936 CA SER A 61 8.408 4.202 4.578 1.00 66.14 C ATOM 937 C SER A 61 8.558 2.882 5.325 1.00 66.14 C ATOM 938 O SER A 61 8.612 1.818 4.708 1.00 66.14 O ATOM 939 CB SER A 61 9.780 4.856 4.395 1.00 66.14 C ATOM 940 OG SER A 61 10.434 5.026 5.641 1.00 66.14 O ATOM 0 H SER A 61 7.907 6.023 5.491 1.00 66.14 H new ATOM 0 HA SER A 61 7.975 3.980 3.603 1.00 66.14 H new ATOM 0 HB2 SER A 61 10.395 4.240 3.739 1.00 66.14 H new ATOM 0 HB3 SER A 61 9.663 5.824 3.907 1.00 66.14 H new ATOM 0 HG SER A 61 11.309 5.444 5.497 1.00 66.14 H new ATOM 946 N TYR A 62 8.621 2.944 6.649 1.00 59.69 N ATOM 947 CA TYR A 62 8.760 1.737 7.448 1.00 59.69 C ATOM 948 C TYR A 62 7.476 0.912 7.411 1.00 59.69 C ATOM 949 O TYR A 62 7.527 -0.303 7.296 1.00 59.69 O ATOM 950 CB TYR A 62 9.163 2.095 8.896 1.00 59.69 C ATOM 951 CG TYR A 62 8.666 1.127 9.959 1.00 59.69 C ATOM 952 CD1 TYR A 62 8.930 -0.235 9.880 1.00 59.69 C ATOM 953 CD2 TYR A 62 7.911 1.585 11.023 1.00 59.69 C ATOM 954 CE1 TYR A 62 8.453 -1.108 10.839 1.00 59.69 C ATOM 955 CE2 TYR A 62 7.432 0.723 11.984 1.00 59.69 C ATOM 956 CZ TYR A 62 7.703 -0.624 11.888 1.00 59.69 C ATOM 957 OH TYR A 62 7.224 -1.489 12.845 1.00 59.69 O ATOM 0 H TYR A 62 8.578 3.810 7.187 1.00 59.69 H new ATOM 0 HA TYR A 62 9.554 1.124 7.021 1.00 59.69 H new ATOM 0 HB2 TYR A 62 10.250 2.146 8.952 1.00 59.69 H new ATOM 0 HB3 TYR A 62 8.784 3.091 9.127 1.00 59.69 H new ATOM 0 HD1 TYR A 62 9.516 -0.617 9.057 1.00 59.69 H new ATOM 0 HD2 TYR A 62 7.693 2.640 11.102 1.00 59.69 H new ATOM 0 HE1 TYR A 62 8.667 -2.164 10.766 1.00 59.69 H new ATOM 0 HE2 TYR A 62 6.847 1.101 12.809 1.00 59.69 H new ATOM 0 HH TYR A 62 7.037 -2.359 12.435 1.00 59.69 H new ATOM 967 N ILE A 63 6.336 1.574 7.527 1.00 95.89 N ATOM 968 CA ILE A 63 5.057 0.880 7.527 1.00 95.89 C ATOM 969 C ILE A 63 4.746 0.353 6.144 1.00 95.89 C ATOM 970 O ILE A 63 4.382 -0.809 5.971 1.00 95.89 O ATOM 971 CB ILE A 63 3.915 1.791 8.048 1.00 95.89 C ATOM 972 CG1 ILE A 63 3.382 2.763 6.977 1.00 95.89 C ATOM 973 CG2 ILE A 63 4.387 2.580 9.264 1.00 95.89 C ATOM 974 CD1 ILE A 63 2.123 3.467 7.406 1.00 95.89 C ATOM 0 H ILE A 63 6.269 2.587 7.622 1.00 95.89 H new ATOM 0 HA ILE A 63 5.131 0.034 8.211 1.00 95.89 H new ATOM 0 HB ILE A 63 3.092 1.131 8.322 1.00 95.89 H new ATOM 0 HG12 ILE A 63 4.149 3.504 6.751 1.00 95.89 H new ATOM 0 HG13 ILE A 63 3.190 2.212 6.056 1.00 95.89 H new ATOM 0 HG21 ILE A 63 3.577 3.216 9.622 1.00 95.89 H new ATOM 0 HG22 ILE A 63 4.682 1.889 10.054 1.00 95.89 H new ATOM 0 HG23 ILE A 63 5.240 3.199 8.987 1.00 95.89 H new ATOM 0 HD11 ILE A 63 1.793 4.138 6.613 1.00 95.89 H new ATOM 0 HD12 ILE A 63 1.344 2.731 7.605 1.00 95.89 H new ATOM 0 HD13 ILE A 63 2.318 4.042 8.311 1.00 95.89 H new ATOM 986 N GLU A 64 4.930 1.215 5.156 1.00 77.41 N ATOM 987 CA GLU A 64 4.712 0.841 3.768 1.00 77.41 C ATOM 988 C GLU A 64 5.523 -0.413 3.454 1.00 77.41 C ATOM 989 O GLU A 64 5.126 -1.241 2.634 1.00 77.41 O ATOM 990 CB GLU A 64 5.117 1.989 2.839 1.00 77.41 C ATOM 991 CG GLU A 64 4.814 1.724 1.372 1.00 77.41 C ATOM 992 CD GLU A 64 5.308 2.831 0.456 1.00 77.41 C ATOM 993 OE1 GLU A 64 5.899 3.809 0.965 1.00 77.41 O ATOM 994 OE2 GLU A 64 5.102 2.720 -0.770 1.00 77.41 O ATOM 0 H GLU A 64 5.230 2.180 5.291 1.00 77.41 H new ATOM 0 HA GLU A 64 3.654 0.634 3.609 1.00 77.41 H new ATOM 0 HB2 GLU A 64 4.599 2.896 3.150 1.00 77.41 H new ATOM 0 HB3 GLU A 64 6.185 2.177 2.952 1.00 77.41 H new ATOM 0 HG2 GLU A 64 5.275 0.782 1.076 1.00 77.41 H new ATOM 0 HG3 GLU A 64 3.738 1.607 1.244 1.00 77.41 H new ATOM 1001 N HIS A 65 6.649 -0.559 4.159 1.00 68.54 N ATOM 1002 CA HIS A 65 7.498 -1.727 4.002 1.00 68.54 C ATOM 1003 C HIS A 65 6.807 -2.939 4.598 1.00 68.54 C ATOM 1004 O HIS A 65 6.786 -4.004 3.993 1.00 68.54 O ATOM 1005 CB HIS A 65 8.862 -1.483 4.660 1.00 68.54 C ATOM 1006 CG HIS A 65 9.727 -2.699 4.766 1.00 68.54 C ATOM 1007 ND1 HIS A 65 10.607 -3.098 3.781 1.00 68.54 N ATOM 1008 CD2 HIS A 65 9.840 -3.606 5.761 1.00 68.54 C ATOM 1009 CE1 HIS A 65 11.224 -4.201 4.169 1.00 68.54 C ATOM 1010 NE2 HIS A 65 10.776 -4.530 5.368 1.00 68.54 N ATOM 0 H HIS A 65 6.987 0.120 4.841 1.00 68.54 H new ATOM 0 HA HIS A 65 7.670 -1.914 2.942 1.00 68.54 H new ATOM 0 HB2 HIS A 65 9.395 -0.722 4.090 1.00 68.54 H new ATOM 0 HB3 HIS A 65 8.702 -1.079 5.659 1.00 68.54 H new ATOM 0 HD2 HIS A 65 9.295 -3.604 6.693 1.00 68.54 H new ATOM 0 HE1 HIS A 65 11.968 -4.741 3.602 1.00 68.54 H new ATOM 0 HE2 HIS A 65 11.077 -5.338 5.912 1.00 68.54 H new ATOM 1018 N ILE A 66 6.231 -2.758 5.785 1.00 44.28 N ATOM 1019 CA ILE A 66 5.522 -3.831 6.469 1.00 44.28 C ATOM 1020 C ILE A 66 4.410 -4.350 5.585 1.00 44.28 C ATOM 1021 O ILE A 66 4.301 -5.548 5.324 1.00 44.28 O ATOM 1022 CB ILE A 66 4.931 -3.326 7.799 1.00 44.28 C ATOM 1023 CG1 ILE A 66 6.051 -2.747 8.660 1.00 44.28 C ATOM 1024 CG2 ILE A 66 4.178 -4.429 8.538 1.00 44.28 C ATOM 1025 CD1 ILE A 66 7.224 -3.665 8.849 1.00 44.28 C ATOM 0 H ILE A 66 6.243 -1.873 6.293 1.00 44.28 H new ATOM 0 HA ILE A 66 6.227 -4.635 6.682 1.00 44.28 H new ATOM 0 HB ILE A 66 4.204 -2.543 7.584 1.00 44.28 H new ATOM 0 HG12 ILE A 66 6.400 -1.820 8.206 1.00 44.28 H new ATOM 0 HG13 ILE A 66 5.645 -2.490 9.638 1.00 44.28 H new ATOM 0 HG21 ILE A 66 3.776 -4.033 9.471 1.00 44.28 H new ATOM 0 HG22 ILE A 66 3.360 -4.791 7.915 1.00 44.28 H new ATOM 0 HG23 ILE A 66 4.859 -5.251 8.756 1.00 44.28 H new ATOM 0 HD11 ILE A 66 7.972 -3.176 9.472 1.00 44.28 H new ATOM 0 HD12 ILE A 66 6.893 -4.584 9.333 1.00 44.28 H new ATOM 0 HD13 ILE A 66 7.660 -3.903 7.879 1.00 44.28 H new ATOM 1037 N PHE A 67 3.605 -3.421 5.103 1.00103.95 N ATOM 1038 CA PHE A 67 2.515 -3.758 4.215 1.00103.95 C ATOM 1039 C PHE A 67 3.063 -4.375 2.924 1.00103.95 C ATOM 1040 O PHE A 67 2.427 -5.236 2.318 1.00103.95 O ATOM 1041 CB PHE A 67 1.691 -2.509 3.926 1.00103.95 C ATOM 1042 CG PHE A 67 1.215 -1.857 5.188 1.00103.95 C ATOM 1043 CD1 PHE A 67 0.513 -2.588 6.131 1.00103.95 C ATOM 1044 CD2 PHE A 67 1.491 -0.525 5.445 1.00103.95 C ATOM 1045 CE1 PHE A 67 0.098 -2.006 7.310 1.00103.95 C ATOM 1046 CE2 PHE A 67 1.070 0.068 6.621 1.00103.95 C ATOM 1047 CZ PHE A 67 0.374 -0.678 7.555 1.00103.95 C ATOM 0 H PHE A 67 3.688 -2.426 5.314 1.00103.95 H new ATOM 0 HA PHE A 67 1.867 -4.495 4.689 1.00103.95 H new ATOM 0 HB2 PHE A 67 2.291 -1.801 3.354 1.00103.95 H new ATOM 0 HB3 PHE A 67 0.834 -2.773 3.307 1.00103.95 H new ATOM 0 HD1 PHE A 67 0.288 -3.627 5.941 1.00103.95 H new ATOM 0 HD2 PHE A 67 2.041 0.057 4.720 1.00103.95 H new ATOM 0 HE1 PHE A 67 -0.442 -2.590 8.040 1.00103.95 H new ATOM 0 HE2 PHE A 67 1.284 1.110 6.810 1.00103.95 H new ATOM 0 HZ PHE A 67 0.047 -0.220 8.477 1.00103.95 H new ATOM 1057 N GLU A 68 4.264 -3.931 2.517 1.00 76.40 N ATOM 1058 CA GLU A 68 4.901 -4.451 1.306 1.00 76.40 C ATOM 1059 C GLU A 68 5.416 -5.867 1.520 1.00 76.40 C ATOM 1060 O GLU A 68 5.094 -6.774 0.753 1.00 76.40 O ATOM 1061 CB GLU A 68 6.055 -3.539 0.878 1.00 76.40 C ATOM 1062 CG GLU A 68 6.782 -4.017 -0.371 1.00 76.40 C ATOM 1063 CD GLU A 68 7.981 -3.155 -0.725 1.00 76.40 C ATOM 1064 OE1 GLU A 68 8.277 -2.204 0.030 1.00 76.40 O ATOM 1065 OE2 GLU A 68 8.624 -3.429 -1.760 1.00 76.40 O ATOM 0 H GLU A 68 4.806 -3.219 3.007 1.00 76.40 H new ATOM 0 HA GLU A 68 4.149 -4.474 0.517 1.00 76.40 H new ATOM 0 HB2 GLU A 68 5.667 -2.536 0.700 1.00 76.40 H new ATOM 0 HB3 GLU A 68 6.770 -3.464 1.697 1.00 76.40 H new ATOM 0 HG2 GLU A 68 7.112 -5.045 -0.222 1.00 76.40 H new ATOM 0 HG3 GLU A 68 6.086 -4.024 -1.210 1.00 76.40 H new ATOM 1072 N ILE A 69 6.214 -6.056 2.565 1.00 33.63 N ATOM 1073 CA ILE A 69 6.754 -7.369 2.863 1.00 33.63 C ATOM 1074 C ILE A 69 5.635 -8.322 3.248 1.00 33.63 C ATOM 1075 O ILE A 69 5.667 -9.510 2.926 1.00 33.63 O ATOM 1076 CB ILE A 69 7.802 -7.310 3.975 1.00 33.63 C ATOM 1077 CG1 ILE A 69 7.191 -6.796 5.284 1.00 33.63 C ATOM 1078 CG2 ILE A 69 8.983 -6.451 3.534 1.00 33.63 C ATOM 1079 CD1 ILE A 69 8.215 -6.571 6.373 1.00 33.63 C ATOM 0 H ILE A 69 6.497 -5.321 3.213 1.00 33.63 H new ATOM 0 HA ILE A 69 7.246 -7.737 1.962 1.00 33.63 H new ATOM 0 HB ILE A 69 8.166 -8.320 4.166 1.00 33.63 H new ATOM 0 HG12 ILE A 69 6.666 -5.861 5.089 1.00 33.63 H new ATOM 0 HG13 ILE A 69 6.448 -7.512 5.636 1.00 33.63 H new ATOM 0 HG21 ILE A 69 9.724 -6.415 4.332 1.00 33.63 H new ATOM 0 HG22 ILE A 69 9.433 -6.883 2.640 1.00 33.63 H new ATOM 0 HG23 ILE A 69 8.636 -5.441 3.314 1.00 33.63 H new ATOM 0 HD11 ILE A 69 7.717 -6.208 7.272 1.00 33.63 H new ATOM 0 HD12 ILE A 69 8.723 -7.510 6.594 1.00 33.63 H new ATOM 0 HD13 ILE A 69 8.945 -5.833 6.039 1.00 33.63 H new ATOM 1091 N SER A 70 4.628 -7.771 3.908 1.00 80.34 N ATOM 1092 CA SER A 70 3.462 -8.537 4.311 1.00 80.34 C ATOM 1093 C SER A 70 2.534 -8.683 3.109 1.00 80.34 C ATOM 1094 O SER A 70 2.461 -7.788 2.267 1.00 80.34 O ATOM 1095 CB SER A 70 2.736 -7.831 5.456 1.00 80.34 C ATOM 1096 OG SER A 70 3.595 -7.656 6.571 1.00 80.34 O ATOM 0 H SER A 70 4.597 -6.788 4.177 1.00 80.34 H new ATOM 0 HA SER A 70 3.771 -9.522 4.660 1.00 80.34 H new ATOM 0 HB2 SER A 70 2.372 -6.861 5.117 1.00 80.34 H new ATOM 0 HB3 SER A 70 1.864 -8.413 5.752 1.00 80.34 H new ATOM 0 HG SER A 70 4.093 -6.818 6.472 1.00 80.34 H new ATOM 1102 N ARG A 71 1.843 -9.811 3.011 1.00144.05 N ATOM 1103 CA ARG A 71 0.950 -10.048 1.885 1.00144.05 C ATOM 1104 C ARG A 71 -0.390 -9.352 2.073 1.00144.05 C ATOM 1105 O ARG A 71 -1.440 -9.992 2.142 1.00144.05 O ATOM 1106 CB ARG A 71 0.758 -11.543 1.654 1.00144.05 C ATOM 1107 CG ARG A 71 2.009 -12.221 1.126 1.00144.05 C ATOM 1108 CD ARG A 71 2.412 -11.663 -0.229 1.00144.05 C ATOM 1109 NE ARG A 71 3.497 -12.432 -0.838 1.00144.05 N ATOM 1110 CZ ARG A 71 4.768 -12.373 -0.441 1.00144.05 C ATOM 1111 NH1 ARG A 71 5.125 -11.590 0.572 1.00144.05 N ATOM 1112 NH2 ARG A 71 5.687 -13.103 -1.057 1.00144.05 N ATOM 0 H ARG A 71 1.883 -10.570 3.691 1.00144.05 H new ATOM 0 HA ARG A 71 1.418 -9.619 0.999 1.00144.05 H new ATOM 0 HB2 ARG A 71 0.462 -12.016 2.590 1.00144.05 H new ATOM 0 HB3 ARG A 71 -0.058 -11.695 0.948 1.00144.05 H new ATOM 0 HG2 ARG A 71 2.826 -12.084 1.835 1.00144.05 H new ATOM 0 HG3 ARG A 71 1.836 -13.294 1.042 1.00144.05 H new ATOM 0 HD2 ARG A 71 1.548 -11.666 -0.894 1.00144.05 H new ATOM 0 HD3 ARG A 71 2.723 -10.625 -0.115 1.00144.05 H new ATOM 0 HE ARG A 71 3.267 -13.052 -1.615 1.00144.05 H new ATOM 0 HH11 ARG A 71 4.424 -11.027 1.053 1.00144.05 H new ATOM 0 HH12 ARG A 71 6.100 -11.552 0.868 1.00144.05 H new ATOM 0 HH21 ARG A 71 5.421 -13.709 -1.833 1.00144.05 H new ATOM 0 HH22 ARG A 71 6.660 -13.059 -0.755 1.00144.05 H new ATOM 1126 N ARG A 72 -0.337 -8.029 2.136 1.00183.66 N ATOM 1127 CA ARG A 72 -1.534 -7.218 2.293 1.00183.66 C ATOM 1128 C ARG A 72 -1.465 -5.999 1.364 1.00183.66 C ATOM 1129 O ARG A 72 -1.414 -4.857 1.821 1.00183.66 O ATOM 1130 CB ARG A 72 -1.687 -6.787 3.757 1.00183.66 C ATOM 1131 CG ARG A 72 -3.029 -7.167 4.363 1.00183.66 C ATOM 1132 CD ARG A 72 -3.114 -8.656 4.650 1.00183.66 C ATOM 1133 NE ARG A 72 -4.415 -9.205 4.278 1.00183.66 N ATOM 1134 CZ ARG A 72 -4.705 -10.509 4.282 1.00183.66 C ATOM 1135 NH1 ARG A 72 -3.789 -11.405 4.633 1.00183.66 N ATOM 1136 NH2 ARG A 72 -5.917 -10.919 3.930 1.00183.66 N ATOM 0 H ARG A 72 0.529 -7.492 2.080 1.00183.66 H new ATOM 0 HA ARG A 72 -2.409 -7.808 2.019 1.00183.66 H new ATOM 0 HB2 ARG A 72 -0.890 -7.240 4.346 1.00183.66 H new ATOM 0 HB3 ARG A 72 -1.559 -5.707 3.825 1.00183.66 H new ATOM 0 HG2 ARG A 72 -3.182 -6.609 5.287 1.00183.66 H new ATOM 0 HG3 ARG A 72 -3.830 -6.881 3.681 1.00183.66 H new ATOM 0 HD2 ARG A 72 -2.329 -9.177 4.102 1.00183.66 H new ATOM 0 HD3 ARG A 72 -2.934 -8.833 5.710 1.00183.66 H new ATOM 0 HE ARG A 72 -5.147 -8.553 3.998 1.00183.66 H new ATOM 0 HH11 ARG A 72 -2.854 -11.100 4.903 1.00183.66 H new ATOM 0 HH12 ARG A 72 -4.021 -12.398 4.633 1.00183.66 H new ATOM 0 HH21 ARG A 72 -6.626 -10.239 3.657 1.00183.66 H new ATOM 0 HH22 ARG A 72 -6.139 -11.914 3.933 1.00183.66 H new ATOM 1150 N PRO A 73 -1.448 -6.229 0.032 1.00130.67 N ATOM 1151 CA PRO A 73 -1.369 -5.146 -0.954 1.00130.67 C ATOM 1152 C PRO A 73 -2.523 -4.157 -0.846 1.00130.67 C ATOM 1153 O PRO A 73 -2.390 -2.999 -1.233 1.00130.67 O ATOM 1154 CB PRO A 73 -1.422 -5.871 -2.304 1.00130.67 C ATOM 1155 CG PRO A 73 -0.999 -7.265 -2.008 1.00130.67 C ATOM 1156 CD PRO A 73 -1.489 -7.553 -0.620 1.00130.67 C ATOM 0 HA PRO A 73 -0.469 -4.548 -0.808 1.00130.67 H new ATOM 0 HB2 PRO A 73 -2.426 -5.845 -2.727 1.00130.67 H new ATOM 0 HB3 PRO A 73 -0.758 -5.403 -3.030 1.00130.67 H new ATOM 0 HG2 PRO A 73 -1.426 -7.964 -2.727 1.00130.67 H new ATOM 0 HG3 PRO A 73 0.085 -7.367 -2.069 1.00130.67 H new ATOM 0 HD2 PRO A 73 -2.497 -7.968 -0.627 1.00130.67 H new ATOM 0 HD3 PRO A 73 -0.851 -8.274 -0.109 1.00130.67 H new ATOM 1164 N ASP A 74 -3.658 -4.613 -0.323 1.00 56.92 N ATOM 1165 CA ASP A 74 -4.824 -3.748 -0.188 1.00 56.92 C ATOM 1166 C ASP A 74 -4.532 -2.603 0.771 1.00 56.92 C ATOM 1167 O ASP A 74 -4.916 -1.460 0.525 1.00 56.92 O ATOM 1168 CB ASP A 74 -6.032 -4.550 0.306 1.00 56.92 C ATOM 1169 CG ASP A 74 -6.493 -5.589 -0.700 1.00 56.92 C ATOM 1170 OD1 ASP A 74 -6.049 -5.527 -1.866 1.00 56.92 O ATOM 1171 OD2 ASP A 74 -7.299 -6.466 -0.320 1.00 56.92 O ATOM 0 H ASP A 74 -3.794 -5.567 0.011 1.00 56.92 H new ATOM 0 HA ASP A 74 -5.055 -3.332 -1.169 1.00 56.92 H new ATOM 0 HB2 ASP A 74 -5.776 -5.045 1.243 1.00 56.92 H new ATOM 0 HB3 ASP A 74 -6.854 -3.867 0.520 1.00 56.92 H new ATOM 1176 N LEU A 75 -3.826 -2.909 1.851 1.00 72.53 N ATOM 1177 CA LEU A 75 -3.460 -1.891 2.823 1.00 72.53 C ATOM 1178 C LEU A 75 -2.360 -1.017 2.245 1.00 72.53 C ATOM 1179 O LEU A 75 -2.436 0.211 2.284 1.00 72.53 O ATOM 1180 CB LEU A 75 -2.966 -2.533 4.115 1.00 72.53 C ATOM 1181 CG LEU A 75 -4.011 -3.288 4.939 1.00 72.53 C ATOM 1182 CD1 LEU A 75 -4.631 -4.411 4.124 1.00 72.53 C ATOM 1183 CD2 LEU A 75 -3.347 -3.845 6.183 1.00 72.53 C ATOM 0 H LEU A 75 -3.497 -3.848 2.074 1.00 72.53 H new ATOM 0 HA LEU A 75 -4.340 -1.288 3.046 1.00 72.53 H new ATOM 0 HB2 LEU A 75 -2.161 -3.224 3.867 1.00 72.53 H new ATOM 0 HB3 LEU A 75 -2.535 -1.753 4.742 1.00 72.53 H new ATOM 0 HG LEU A 75 -4.809 -2.602 5.224 1.00 72.53 H new ATOM 0 HD11 LEU A 75 -5.371 -4.934 4.730 1.00 72.53 H new ATOM 0 HD12 LEU A 75 -5.114 -3.995 3.240 1.00 72.53 H new ATOM 0 HD13 LEU A 75 -3.853 -5.110 3.817 1.00 72.53 H new ATOM 0 HD21 LEU A 75 -4.084 -4.385 6.778 1.00 72.53 H new ATOM 0 HD22 LEU A 75 -2.545 -4.524 5.894 1.00 72.53 H new ATOM 0 HD23 LEU A 75 -2.934 -3.026 6.773 1.00 72.53 H new ATOM 1195 N LEU A 76 -1.337 -1.672 1.691 1.00 57.08 N ATOM 1196 CA LEU A 76 -0.211 -0.976 1.079 1.00 57.08 C ATOM 1197 C LEU A 76 -0.705 -0.023 0.002 1.00 57.08 C ATOM 1198 O LEU A 76 -0.234 1.104 -0.107 1.00 57.08 O ATOM 1199 CB LEU A 76 0.772 -1.974 0.467 1.00 57.08 C ATOM 1200 CG LEU A 76 2.036 -1.342 -0.136 1.00 57.08 C ATOM 1201 CD1 LEU A 76 3.284 -1.824 0.587 1.00 57.08 C ATOM 1202 CD2 LEU A 76 2.133 -1.640 -1.627 1.00 57.08 C ATOM 0 H LEU A 76 -1.269 -2.689 1.656 1.00 57.08 H new ATOM 0 HA LEU A 76 0.301 -0.408 1.856 1.00 57.08 H new ATOM 0 HB2 LEU A 76 1.070 -2.687 1.235 1.00 57.08 H new ATOM 0 HB3 LEU A 76 0.258 -2.539 -0.311 1.00 57.08 H new ATOM 0 HG LEU A 76 1.964 -0.262 -0.007 1.00 57.08 H new ATOM 0 HD11 LEU A 76 4.164 -1.362 0.141 1.00 57.08 H new ATOM 0 HD12 LEU A 76 3.224 -1.548 1.640 1.00 57.08 H new ATOM 0 HD13 LEU A 76 3.360 -2.908 0.499 1.00 57.08 H new ATOM 0 HD21 LEU A 76 3.036 -1.182 -2.032 1.00 57.08 H new ATOM 0 HD22 LEU A 76 2.173 -2.718 -1.781 1.00 57.08 H new ATOM 0 HD23 LEU A 76 1.260 -1.233 -2.137 1.00 57.08 H new ATOM 1214 N THR A 77 -1.675 -0.489 -0.781 1.00 38.46 N ATOM 1215 CA THR A 77 -2.261 0.308 -1.839 1.00 38.46 C ATOM 1216 C THR A 77 -2.822 1.613 -1.289 1.00 38.46 C ATOM 1217 O THR A 77 -2.659 2.663 -1.892 1.00 38.46 O ATOM 1218 CB THR A 77 -3.384 -0.479 -2.536 1.00 38.46 C ATOM 1219 OG1 THR A 77 -2.843 -1.617 -3.214 1.00 38.46 O ATOM 1220 CG2 THR A 77 -4.151 0.383 -3.522 1.00 38.46 C ATOM 0 H THR A 77 -2.070 -1.425 -0.695 1.00 38.46 H new ATOM 0 HA THR A 77 -1.477 0.540 -2.560 1.00 38.46 H new ATOM 0 HB THR A 77 -4.079 -0.807 -1.763 1.00 38.46 H new ATOM 0 HG1 THR A 77 -2.420 -2.215 -2.563 1.00 38.46 H new ATOM 0 HG21 THR A 77 -4.935 -0.211 -3.992 1.00 38.46 H new ATOM 0 HG22 THR A 77 -4.600 1.225 -2.996 1.00 38.46 H new ATOM 0 HG23 THR A 77 -3.469 0.755 -4.287 1.00 38.46 H new ATOM 1228 N MET A 78 -3.492 1.538 -0.148 1.00 70.15 N ATOM 1229 CA MET A 78 -4.066 2.727 0.454 1.00 70.15 C ATOM 1230 C MET A 78 -2.963 3.686 0.857 1.00 70.15 C ATOM 1231 O MET A 78 -3.075 4.894 0.665 1.00 70.15 O ATOM 1232 CB MET A 78 -4.930 2.347 1.652 1.00 70.15 C ATOM 1233 CG MET A 78 -6.136 1.512 1.255 1.00 70.15 C ATOM 1234 SD MET A 78 -7.200 1.106 2.650 1.00 70.15 S ATOM 1235 CE MET A 78 -8.357 -0.012 1.867 1.00 70.15 C ATOM 0 H MET A 78 -3.649 0.675 0.373 1.00 70.15 H new ATOM 0 HA MET A 78 -4.704 3.227 -0.275 1.00 70.15 H new ATOM 0 HB2 MET A 78 -4.327 1.791 2.370 1.00 70.15 H new ATOM 0 HB3 MET A 78 -5.268 3.253 2.154 1.00 70.15 H new ATOM 0 HG2 MET A 78 -6.716 2.054 0.508 1.00 70.15 H new ATOM 0 HG3 MET A 78 -5.794 0.590 0.785 1.00 70.15 H new ATOM 0 HE1 MET A 78 -9.362 0.183 2.242 1.00 70.15 H new ATOM 0 HE2 MET A 78 -8.337 0.141 0.788 1.00 70.15 H new ATOM 0 HE3 MET A 78 -8.078 -1.041 2.093 1.00 70.15 H new ATOM 1245 N VAL A 79 -1.882 3.125 1.384 1.00 44.32 N ATOM 1246 CA VAL A 79 -0.735 3.917 1.787 1.00 44.32 C ATOM 1247 C VAL A 79 -0.035 4.471 0.554 1.00 44.32 C ATOM 1248 O VAL A 79 0.312 5.650 0.490 1.00 44.32 O ATOM 1249 CB VAL A 79 0.261 3.071 2.601 1.00 44.32 C ATOM 1250 CG1 VAL A 79 1.384 3.939 3.137 1.00 44.32 C ATOM 1251 CG2 VAL A 79 -0.451 2.338 3.728 1.00 44.32 C ATOM 0 H VAL A 79 -1.779 2.122 1.541 1.00 44.32 H new ATOM 0 HA VAL A 79 -1.089 4.736 2.413 1.00 44.32 H new ATOM 0 HB VAL A 79 0.699 2.323 1.940 1.00 44.32 H new ATOM 0 HG11 VAL A 79 2.078 3.324 3.710 1.00 44.32 H new ATOM 0 HG12 VAL A 79 1.913 4.404 2.305 1.00 44.32 H new ATOM 0 HG13 VAL A 79 0.969 4.714 3.782 1.00 44.32 H new ATOM 0 HG21 VAL A 79 0.271 1.746 4.291 1.00 44.32 H new ATOM 0 HG22 VAL A 79 -0.923 3.062 4.392 1.00 44.32 H new ATOM 0 HG23 VAL A 79 -1.212 1.680 3.310 1.00 44.32 H new ATOM 1261 N VAL A 80 0.146 3.601 -0.429 1.00 90.77 N ATOM 1262 CA VAL A 80 0.779 3.961 -1.686 1.00 90.77 C ATOM 1263 C VAL A 80 -0.068 4.974 -2.447 1.00 90.77 C ATOM 1264 O VAL A 80 0.428 5.999 -2.912 1.00 90.77 O ATOM 1265 CB VAL A 80 0.972 2.702 -2.564 1.00 90.77 C ATOM 1266 CG1 VAL A 80 1.585 3.060 -3.912 1.00 90.77 C ATOM 1267 CG2 VAL A 80 1.816 1.660 -1.835 1.00 90.77 C ATOM 0 H VAL A 80 -0.143 2.624 -0.376 1.00 90.77 H new ATOM 0 HA VAL A 80 1.749 4.405 -1.460 1.00 90.77 H new ATOM 0 HB VAL A 80 -0.010 2.269 -2.754 1.00 90.77 H new ATOM 0 HG11 VAL A 80 1.709 2.155 -4.507 1.00 90.77 H new ATOM 0 HG12 VAL A 80 0.928 3.753 -4.438 1.00 90.77 H new ATOM 0 HG13 VAL A 80 2.557 3.528 -3.757 1.00 90.77 H new ATOM 0 HG21 VAL A 80 1.939 0.783 -2.470 1.00 90.77 H new ATOM 0 HG22 VAL A 80 2.794 2.081 -1.604 1.00 90.77 H new ATOM 0 HG23 VAL A 80 1.318 1.371 -0.910 1.00 90.77 H new ATOM 1277 N ASP A 81 -1.350 4.671 -2.576 1.00 37.97 N ATOM 1278 CA ASP A 81 -2.271 5.543 -3.279 1.00 37.97 C ATOM 1279 C ASP A 81 -2.348 6.891 -2.586 1.00 37.97 C ATOM 1280 O ASP A 81 -2.422 7.934 -3.237 1.00 37.97 O ATOM 1281 CB ASP A 81 -3.662 4.905 -3.360 1.00 37.97 C ATOM 1282 CG ASP A 81 -3.693 3.687 -4.266 1.00 37.97 C ATOM 1283 OD1 ASP A 81 -2.701 3.455 -4.990 1.00 37.97 O ATOM 1284 OD2 ASP A 81 -4.713 2.967 -4.254 1.00 37.97 O ATOM 0 H ASP A 81 -1.776 3.823 -2.200 1.00 37.97 H new ATOM 0 HA ASP A 81 -1.902 5.691 -4.294 1.00 37.97 H new ATOM 0 HB2 ASP A 81 -3.985 4.617 -2.359 1.00 37.97 H new ATOM 0 HB3 ASP A 81 -4.376 5.643 -3.725 1.00 37.97 H new ATOM 1289 N TYR A 82 -2.314 6.866 -1.258 1.00130.70 N ATOM 1290 CA TYR A 82 -2.366 8.089 -0.486 1.00130.70 C ATOM 1291 C TYR A 82 -1.146 8.953 -0.772 1.00130.70 C ATOM 1292 O TYR A 82 -1.251 10.171 -0.918 1.00130.70 O ATOM 1293 CB TYR A 82 -2.435 7.752 1.000 1.00130.70 C ATOM 1294 CG TYR A 82 -2.114 8.910 1.920 1.00130.70 C ATOM 1295 CD1 TYR A 82 -0.792 9.261 2.161 1.00130.70 C ATOM 1296 CD2 TYR A 82 -3.110 9.641 2.540 1.00130.70 C ATOM 1297 CE1 TYR A 82 -0.476 10.309 2.995 1.00130.70 C ATOM 1298 CE2 TYR A 82 -2.798 10.689 3.375 1.00130.70 C ATOM 1299 CZ TYR A 82 -1.482 11.021 3.599 1.00130.70 C ATOM 1300 OH TYR A 82 -1.173 12.073 4.427 1.00130.70 O ATOM 0 H TYR A 82 -2.251 6.014 -0.702 1.00130.70 H new ATOM 0 HA TYR A 82 -3.257 8.649 -0.770 1.00130.70 H new ATOM 0 HB2 TYR A 82 -3.436 7.387 1.231 1.00130.70 H new ATOM 0 HB3 TYR A 82 -1.742 6.936 1.208 1.00130.70 H new ATOM 0 HD1 TYR A 82 0.001 8.702 1.686 1.00130.70 H new ATOM 0 HD2 TYR A 82 -4.145 9.386 2.367 1.00130.70 H new ATOM 0 HE1 TYR A 82 0.557 10.570 3.173 1.00130.70 H new ATOM 0 HE2 TYR A 82 -3.586 11.251 3.854 1.00130.70 H new ATOM 0 HH TYR A 82 -1.975 12.615 4.581 1.00130.70 H new ATOM 1310 N ARG A 83 0.018 8.311 -0.831 1.00265.02 N ATOM 1311 CA ARG A 83 1.273 9.008 -1.079 1.00265.02 C ATOM 1312 C ARG A 83 1.134 9.921 -2.287 1.00265.02 C ATOM 1313 O ARG A 83 1.531 11.076 -2.246 1.00265.02 O ATOM 1314 CB ARG A 83 2.390 7.964 -1.284 1.00265.02 C ATOM 1315 CG ARG A 83 3.646 8.482 -1.981 1.00265.02 C ATOM 1316 CD ARG A 83 3.799 7.864 -3.364 1.00265.02 C ATOM 1317 NE ARG A 83 5.196 7.818 -3.796 1.00265.02 N ATOM 1318 CZ ARG A 83 6.050 6.844 -3.474 1.00265.02 C ATOM 1319 NH1 ARG A 83 5.668 5.838 -2.694 1.00265.02 N ATOM 1320 NH2 ARG A 83 7.295 6.882 -3.931 1.00265.02 N ATOM 0 H ARG A 83 0.116 7.303 -0.709 1.00265.02 H new ATOM 0 HA ARG A 83 1.531 9.634 -0.225 1.00265.02 H new ATOM 0 HB2 ARG A 83 2.673 7.563 -0.311 1.00265.02 H new ATOM 0 HB3 ARG A 83 1.987 7.135 -1.865 1.00265.02 H new ATOM 0 HG2 ARG A 83 3.596 9.567 -2.068 1.00265.02 H new ATOM 0 HG3 ARG A 83 4.523 8.250 -1.377 1.00265.02 H new ATOM 0 HD2 ARG A 83 3.389 6.854 -3.356 1.00265.02 H new ATOM 0 HD3 ARG A 83 3.216 8.439 -4.084 1.00265.02 H new ATOM 0 HE ARG A 83 5.540 8.580 -4.381 1.00265.02 H new ATOM 0 HH11 ARG A 83 4.714 5.805 -2.335 1.00265.02 H new ATOM 0 HH12 ARG A 83 6.329 5.099 -2.454 1.00265.02 H new ATOM 0 HH21 ARG A 83 7.596 7.654 -4.526 1.00265.02 H new ATOM 0 HH22 ARG A 83 7.951 6.140 -3.687 1.00265.02 H new ATOM 1334 N THR A 84 0.551 9.386 -3.338 1.00259.68 N ATOM 1335 CA THR A 84 0.325 10.126 -4.556 1.00259.68 C ATOM 1336 C THR A 84 -0.886 11.063 -4.466 1.00259.68 C ATOM 1337 O THR A 84 -0.855 12.180 -4.980 1.00259.68 O ATOM 1338 CB THR A 84 0.099 9.148 -5.714 1.00259.68 C ATOM 1339 OG1 THR A 84 1.222 8.267 -5.847 1.00259.68 O ATOM 1340 CG2 THR A 84 -0.130 9.889 -7.011 1.00259.68 C ATOM 0 H THR A 84 0.220 8.422 -3.370 1.00259.68 H new ATOM 0 HA THR A 84 1.211 10.739 -4.723 1.00259.68 H new ATOM 0 HB THR A 84 -0.792 8.561 -5.491 1.00259.68 H new ATOM 0 HG1 THR A 84 1.065 7.646 -6.589 1.00259.68 H new ATOM 0 HG21 THR A 84 -0.288 9.172 -7.817 1.00259.68 H new ATOM 0 HG22 THR A 84 -1.009 10.527 -6.915 1.00259.68 H new ATOM 0 HG23 THR A 84 0.741 10.504 -7.238 1.00259.68 H new ATOM 1348 N ARG A 85 -1.972 10.573 -3.875 1.00220.68 N ATOM 1349 CA ARG A 85 -3.210 11.346 -3.804 1.00220.68 C ATOM 1350 C ARG A 85 -3.053 12.614 -2.976 1.00220.68 C ATOM 1351 O ARG A 85 -3.429 13.699 -3.418 1.00220.68 O ATOM 1352 CB ARG A 85 -4.357 10.474 -3.261 1.00220.68 C ATOM 1353 CG ARG A 85 -4.558 10.512 -1.751 1.00220.68 C ATOM 1354 CD ARG A 85 -5.531 9.440 -1.324 1.00220.68 C ATOM 1355 NE ARG A 85 -5.831 9.500 0.107 1.00220.68 N ATOM 1356 CZ ARG A 85 -6.690 8.688 0.725 1.00220.68 C ATOM 1357 NH1 ARG A 85 -7.338 7.745 0.049 1.00220.68 N ATOM 1358 NH2 ARG A 85 -6.902 8.820 2.029 1.00220.68 N ATOM 0 H ARG A 85 -2.021 9.651 -3.441 1.00220.68 H new ATOM 0 HA ARG A 85 -3.456 11.660 -4.818 1.00220.68 H new ATOM 0 HB2 ARG A 85 -5.285 10.786 -3.741 1.00220.68 H new ATOM 0 HB3 ARG A 85 -4.176 9.441 -3.559 1.00220.68 H new ATOM 0 HG2 ARG A 85 -3.603 10.367 -1.247 1.00220.68 H new ATOM 0 HG3 ARG A 85 -4.931 11.491 -1.452 1.00220.68 H new ATOM 0 HD2 ARG A 85 -6.456 9.545 -1.891 1.00220.68 H new ATOM 0 HD3 ARG A 85 -5.118 8.461 -1.566 1.00220.68 H new ATOM 0 HE ARG A 85 -5.354 10.207 0.667 1.00220.68 H new ATOM 0 HH11 ARG A 85 -7.181 7.636 -0.953 1.00220.68 H new ATOM 0 HH12 ARG A 85 -7.993 7.130 0.532 1.00220.68 H new ATOM 0 HH21 ARG A 85 -6.409 9.541 2.556 1.00220.68 H new ATOM 0 HH22 ARG A 85 -7.558 8.201 2.504 1.00220.68 H new ATOM 1372 N VAL A 86 -2.489 12.480 -1.786 1.00 63.58 N ATOM 1373 CA VAL A 86 -2.288 13.633 -0.933 1.00 63.58 C ATOM 1374 C VAL A 86 -1.161 14.482 -1.511 1.00 63.58 C ATOM 1375 O VAL A 86 -1.168 15.703 -1.395 1.00 63.58 O ATOM 1376 CB VAL A 86 -2.015 13.227 0.536 1.00 63.58 C ATOM 1377 CG1 VAL A 86 -1.594 14.428 1.383 1.00 63.58 C ATOM 1378 CG2 VAL A 86 -3.267 12.584 1.115 1.00 63.58 C ATOM 0 H VAL A 86 -2.167 11.595 -1.395 1.00 63.58 H new ATOM 0 HA VAL A 86 -3.203 14.224 -0.910 1.00 63.58 H new ATOM 0 HB VAL A 86 -1.190 12.514 0.552 1.00 63.58 H new ATOM 0 HG11 VAL A 86 -1.411 14.104 2.408 1.00 63.58 H new ATOM 0 HG12 VAL A 86 -0.683 14.862 0.971 1.00 63.58 H new ATOM 0 HG13 VAL A 86 -2.388 15.175 1.375 1.00 63.58 H new ATOM 0 HG21 VAL A 86 -3.082 12.295 2.150 1.00 63.58 H new ATOM 0 HG22 VAL A 86 -4.092 13.296 1.078 1.00 63.58 H new ATOM 0 HG23 VAL A 86 -3.525 11.700 0.532 1.00 63.58 H new ATOM 1583 N LEU A 99 13.699 24.038 -10.346 1.00281.45 N ATOM 1584 CA LEU A 99 13.579 24.975 -11.454 1.00281.45 C ATOM 1585 C LEU A 99 13.541 26.411 -10.929 1.00281.45 C ATOM 1586 O LEU A 99 13.113 26.653 -9.802 1.00281.45 O ATOM 1587 CB LEU A 99 12.310 24.677 -12.248 1.00281.45 C ATOM 1588 CG LEU A 99 12.096 23.206 -12.606 1.00281.45 C ATOM 1589 CD1 LEU A 99 10.845 23.040 -13.455 1.00281.45 C ATOM 1590 CD2 LEU A 99 13.314 22.649 -13.329 1.00281.45 C ATOM 0 HA LEU A 99 14.444 24.863 -12.107 1.00281.45 H new ATOM 0 HB2 LEU A 99 11.451 25.023 -11.673 1.00281.45 H new ATOM 0 HB3 LEU A 99 12.332 25.259 -13.169 1.00281.45 H new ATOM 0 HG LEU A 99 11.960 22.643 -11.682 1.00281.45 H new ATOM 0 HD11 LEU A 99 10.709 21.987 -13.700 1.00281.45 H new ATOM 0 HD12 LEU A 99 9.978 23.398 -12.900 1.00281.45 H new ATOM 0 HD13 LEU A 99 10.950 23.616 -14.374 1.00281.45 H new ATOM 0 HD21 LEU A 99 13.143 21.601 -13.576 1.00281.45 H new ATOM 0 HD22 LEU A 99 13.483 23.215 -14.245 1.00281.45 H new ATOM 0 HD23 LEU A 99 14.189 22.732 -12.685 1.00281.45 H new ATOM 1602 N THR A 100 14.003 27.358 -11.740 1.00235.89 N ATOM 1603 CA THR A 100 14.025 28.759 -11.330 1.00235.89 C ATOM 1604 C THR A 100 12.664 29.454 -11.561 1.00235.89 C ATOM 1605 O THR A 100 11.668 29.041 -10.966 1.00235.89 O ATOM 1606 CB THR A 100 15.186 29.510 -12.014 1.00235.89 C ATOM 1607 OG1 THR A 100 15.242 29.180 -13.408 1.00235.89 O ATOM 1608 CG2 THR A 100 16.496 29.148 -11.352 1.00235.89 C ATOM 0 H THR A 100 14.365 27.184 -12.678 1.00235.89 H new ATOM 0 HA THR A 100 14.201 28.787 -10.255 1.00235.89 H new ATOM 0 HB THR A 100 15.015 30.582 -11.912 1.00235.89 H new ATOM 0 HG1 THR A 100 15.982 29.665 -13.829 1.00235.89 H new ATOM 0 HG21 THR A 100 17.311 29.682 -11.841 1.00235.89 H new ATOM 0 HG22 THR A 100 16.460 29.426 -10.299 1.00235.89 H new ATOM 0 HG23 THR A 100 16.663 28.074 -11.439 1.00235.89 H new ATOM 1616 N ARG A 101 12.598 30.505 -12.395 1.00326.00 N ATOM 1617 CA ARG A 101 11.338 31.204 -12.628 1.00326.00 C ATOM 1618 C ARG A 101 10.596 30.571 -13.795 1.00326.00 C ATOM 1619 O ARG A 101 10.746 30.987 -14.945 1.00326.00 O ATOM 1620 CB ARG A 101 11.588 32.696 -12.900 1.00326.00 C ATOM 1621 CG ARG A 101 12.834 33.278 -12.223 1.00326.00 C ATOM 1622 CD ARG A 101 13.016 32.780 -10.791 1.00326.00 C ATOM 1623 NE ARG A 101 13.685 33.768 -9.945 1.00326.00 N ATOM 1624 CZ ARG A 101 14.999 33.991 -9.954 1.00326.00 C ATOM 1625 NH1 ARG A 101 15.797 33.305 -10.766 1.00326.00 N ATOM 1626 NH2 ARG A 101 15.520 34.904 -9.145 1.00326.00 N ATOM 0 H ARG A 101 13.395 30.880 -12.910 1.00326.00 H new ATOM 0 HA ARG A 101 10.724 31.118 -11.732 1.00326.00 H new ATOM 0 HB2 ARG A 101 11.675 32.844 -13.976 1.00326.00 H new ATOM 0 HB3 ARG A 101 10.716 33.261 -12.570 1.00326.00 H new ATOM 0 HG2 ARG A 101 13.716 33.017 -12.808 1.00326.00 H new ATOM 0 HG3 ARG A 101 12.765 34.366 -12.219 1.00326.00 H new ATOM 0 HD2 ARG A 101 12.042 32.539 -10.365 1.00326.00 H new ATOM 0 HD3 ARG A 101 13.597 31.858 -10.800 1.00326.00 H new ATOM 0 HE ARG A 101 13.110 34.321 -9.309 1.00326.00 H new ATOM 0 HH11 ARG A 101 15.405 32.600 -11.390 1.00326.00 H new ATOM 0 HH12 ARG A 101 16.801 33.484 -10.765 1.00326.00 H new ATOM 0 HH21 ARG A 101 14.915 35.434 -8.517 1.00326.00 H new ATOM 0 HH22 ARG A 101 16.525 35.076 -9.150 1.00326.00 H new ATOM 1640 N ILE A 102 9.816 29.543 -13.490 1.00164.55 N ATOM 1641 CA ILE A 102 9.067 28.814 -14.502 1.00164.55 C ATOM 1642 C ILE A 102 7.564 29.078 -14.362 1.00164.55 C ATOM 1643 O ILE A 102 6.860 28.326 -13.694 1.00164.55 O ATOM 1644 CB ILE A 102 9.347 27.291 -14.400 1.00164.55 C ATOM 1645 CG1 ILE A 102 10.822 26.981 -14.696 1.00164.55 C ATOM 1646 CG2 ILE A 102 8.458 26.493 -15.349 1.00164.55 C ATOM 1647 CD1 ILE A 102 11.808 27.640 -13.757 1.00164.55 C ATOM 0 H ILE A 102 9.686 29.193 -12.541 1.00164.55 H new ATOM 0 HA ILE A 102 9.394 29.167 -15.480 1.00164.55 H new ATOM 0 HB ILE A 102 9.118 26.993 -13.377 1.00164.55 H new ATOM 0 HG12 ILE A 102 10.968 25.902 -14.654 1.00164.55 H new ATOM 0 HG13 ILE A 102 11.047 27.294 -15.715 1.00164.55 H new ATOM 0 HG21 ILE A 102 8.682 25.431 -15.250 1.00164.55 H new ATOM 0 HG22 ILE A 102 7.411 26.668 -15.100 1.00164.55 H new ATOM 0 HG23 ILE A 102 8.645 26.809 -16.375 1.00164.55 H new ATOM 0 HD11 ILE A 102 12.823 27.364 -14.043 1.00164.55 H new ATOM 0 HD12 ILE A 102 11.697 28.723 -13.814 1.00164.55 H new ATOM 0 HD13 ILE A 102 11.616 27.309 -12.737 1.00164.55 H new ATOM 1659 N PRO A 103 7.048 30.144 -14.995 1.00 72.69 N ATOM 1660 CA PRO A 103 5.620 30.475 -14.933 1.00 72.69 C ATOM 1661 C PRO A 103 4.739 29.378 -15.531 1.00 72.69 C ATOM 1662 O PRO A 103 3.560 29.268 -15.197 1.00 72.69 O ATOM 1663 CB PRO A 103 5.513 31.758 -15.754 1.00 72.69 C ATOM 1664 CG PRO A 103 6.717 31.760 -16.627 1.00 72.69 C ATOM 1665 CD PRO A 103 7.799 31.102 -15.827 1.00 72.69 C ATOM 0 HA PRO A 103 5.274 30.584 -13.905 1.00 72.69 H new ATOM 0 HB2 PRO A 103 4.597 31.773 -16.345 1.00 72.69 H new ATOM 0 HB3 PRO A 103 5.491 32.637 -15.110 1.00 72.69 H new ATOM 0 HG2 PRO A 103 6.530 31.217 -17.553 1.00 72.69 H new ATOM 0 HG3 PRO A 103 6.998 32.776 -16.904 1.00 72.69 H new ATOM 0 HD2 PRO A 103 8.527 30.601 -16.465 1.00 72.69 H new ATOM 0 HD3 PRO A 103 8.349 31.821 -15.220 1.00 72.69 H new ATOM 1673 N SER A 104 5.319 28.567 -16.414 1.00159.85 N ATOM 1674 CA SER A 104 4.583 27.479 -17.054 1.00159.85 C ATOM 1675 C SER A 104 4.568 26.210 -16.190 1.00159.85 C ATOM 1676 O SER A 104 4.052 25.177 -16.612 1.00159.85 O ATOM 1677 CB SER A 104 5.197 27.163 -18.419 1.00159.85 C ATOM 1678 OG SER A 104 5.159 28.295 -19.271 1.00159.85 O ATOM 0 H SER A 104 6.295 28.643 -16.702 1.00159.85 H new ATOM 0 HA SER A 104 3.552 27.811 -17.179 1.00159.85 H new ATOM 0 HB2 SER A 104 6.229 26.836 -18.290 1.00159.85 H new ATOM 0 HB3 SER A 104 4.656 26.337 -18.882 1.00159.85 H new ATOM 0 HG SER A 104 5.559 28.067 -20.136 1.00159.85 H new ATOM 1684 N ALA A 105 5.134 26.289 -14.984 1.00293.58 N ATOM 1685 CA ALA A 105 5.176 25.143 -14.082 1.00293.58 C ATOM 1686 C ALA A 105 5.053 25.601 -12.635 1.00293.58 C ATOM 1687 O ALA A 105 4.111 25.234 -11.933 1.00293.58 O ATOM 1688 CB ALA A 105 6.465 24.362 -14.286 1.00293.58 C ATOM 0 H ALA A 105 5.568 27.134 -14.613 1.00293.58 H new ATOM 0 HA ALA A 105 4.334 24.489 -14.308 1.00293.58 H new ATOM 0 HB1 ALA A 105 6.485 23.509 -13.607 1.00293.58 H new ATOM 0 HB2 ALA A 105 6.517 24.008 -15.316 1.00293.58 H new ATOM 0 HB3 ALA A 105 7.318 25.009 -14.081 1.00293.58 H new ATOM 1694 N LYS A 106 6.006 26.423 -12.206 1.00328.40 N ATOM 1695 CA LYS A 106 6.004 26.957 -10.851 1.00328.40 C ATOM 1696 C LYS A 106 5.079 28.164 -10.779 1.00328.40 C ATOM 1697 O LYS A 106 5.107 29.022 -11.660 1.00328.40 O ATOM 1698 CB LYS A 106 7.417 27.376 -10.442 1.00328.40 C ATOM 1699 CG LYS A 106 8.440 26.258 -10.524 1.00328.40 C ATOM 1700 CD LYS A 106 9.747 26.651 -9.851 1.00328.40 C ATOM 1701 CE LYS A 106 9.845 26.075 -8.449 1.00328.40 C ATOM 1702 NZ LYS A 106 9.569 24.613 -8.434 1.00328.40 N ATOM 0 H LYS A 106 6.790 26.733 -12.780 1.00328.40 H new ATOM 0 HA LYS A 106 5.653 26.182 -10.170 1.00328.40 H new ATOM 0 HB2 LYS A 106 7.740 28.198 -11.081 1.00328.40 H new ATOM 0 HB3 LYS A 106 7.391 27.757 -9.421 1.00328.40 H new ATOM 0 HG2 LYS A 106 8.040 25.361 -10.050 1.00328.40 H new ATOM 0 HG3 LYS A 106 8.627 26.010 -11.569 1.00328.40 H new ATOM 0 HD2 LYS A 106 10.587 26.298 -10.450 1.00328.40 H new ATOM 0 HD3 LYS A 106 9.822 27.737 -9.805 1.00328.40 H new ATOM 0 HE2 LYS A 106 10.841 26.261 -8.048 1.00328.40 H new ATOM 0 HE3 LYS A 106 9.138 26.586 -7.796 1.00328.40 H new ATOM 0 HZ1 LYS A 106 10.141 24.159 -7.694 1.00328.40 H new ATOM 0 HZ2 LYS A 106 8.560 24.452 -8.239 1.00328.40 H new ATOM 0 HZ3 LYS A 106 9.812 24.204 -9.359 1.00328.40 H new ATOM 1716 N LYS A 107 4.252 28.232 -9.742 1.00281.61 N ATOM 1717 CA LYS A 107 3.323 29.347 -9.600 1.00281.61 C ATOM 1718 C LYS A 107 3.808 30.401 -8.614 1.00281.61 C ATOM 1719 O LYS A 107 4.796 30.223 -7.901 1.00281.61 O ATOM 1720 CB LYS A 107 1.928 28.884 -9.201 1.00281.61 C ATOM 1721 CG LYS A 107 1.270 27.981 -10.229 1.00281.61 C ATOM 1722 CD LYS A 107 -0.209 27.793 -9.934 1.00281.61 C ATOM 1723 CE LYS A 107 -1.013 29.041 -10.283 1.00281.61 C ATOM 1724 NZ LYS A 107 -1.923 29.440 -9.175 1.00281.61 N ATOM 0 H LYS A 107 4.205 27.538 -8.996 1.00281.61 H new ATOM 0 HA LYS A 107 3.275 29.805 -10.588 1.00281.61 H new ATOM 0 HB2 LYS A 107 1.988 28.355 -8.250 1.00281.61 H new ATOM 0 HB3 LYS A 107 1.296 29.758 -9.040 1.00281.61 H new ATOM 0 HG2 LYS A 107 1.393 28.409 -11.224 1.00281.61 H new ATOM 0 HG3 LYS A 107 1.768 27.011 -10.236 1.00281.61 H new ATOM 0 HD2 LYS A 107 -0.589 26.944 -10.502 1.00281.61 H new ATOM 0 HD3 LYS A 107 -0.343 27.556 -8.879 1.00281.61 H new ATOM 0 HE2 LYS A 107 -0.331 29.862 -10.507 1.00281.61 H new ATOM 0 HE3 LYS A 107 -1.597 28.857 -11.185 1.00281.61 H new ATOM 0 HZ1 LYS A 107 -2.452 30.292 -9.450 1.00281.61 H new ATOM 0 HZ2 LYS A 107 -2.590 28.667 -8.978 1.00281.61 H new ATOM 0 HZ3 LYS A 107 -1.364 29.640 -8.321 1.00281.61 H new ATOM 1738 N TYR A 108 3.080 31.506 -8.612 1.00309.62 N ATOM 1739 CA TYR A 108 3.355 32.658 -7.763 1.00309.62 C ATOM 1740 C TYR A 108 2.335 32.764 -6.638 1.00309.62 C ATOM 1741 O TYR A 108 1.144 32.539 -6.848 1.00309.62 O ATOM 1742 CB TYR A 108 3.271 33.919 -8.622 1.00309.62 C ATOM 1743 CG TYR A 108 1.883 34.115 -9.201 1.00309.62 C ATOM 1744 CD1 TYR A 108 1.509 33.486 -10.382 1.00309.62 C ATOM 1745 CD2 TYR A 108 0.941 34.896 -8.546 1.00309.62 C ATOM 1746 CE1 TYR A 108 0.240 33.631 -10.898 1.00309.62 C ATOM 1747 CE2 TYR A 108 -0.334 35.050 -9.054 1.00309.62 C ATOM 1748 CZ TYR A 108 -0.682 34.414 -10.230 1.00309.62 C ATOM 1749 OH TYR A 108 -1.951 34.563 -10.740 1.00309.62 O ATOM 0 H TYR A 108 2.265 31.631 -9.212 1.00309.62 H new ATOM 0 HA TYR A 108 4.346 32.545 -7.323 1.00309.62 H new ATOM 0 HB2 TYR A 108 3.540 34.787 -8.020 1.00309.62 H new ATOM 0 HB3 TYR A 108 3.997 33.856 -9.432 1.00309.62 H new ATOM 0 HD1 TYR A 108 2.227 32.872 -10.905 1.00309.62 H new ATOM 0 HD2 TYR A 108 1.209 35.391 -7.624 1.00309.62 H new ATOM 0 HE1 TYR A 108 -0.032 33.136 -11.818 1.00309.62 H new ATOM 0 HE2 TYR A 108 -1.055 35.664 -8.535 1.00309.62 H new ATOM 0 HH TYR A 108 -2.200 33.757 -11.238 1.00309.62 H new ATOM 1759 N LYS A 109 2.797 33.142 -5.461 1.00276.51 N ATOM 1760 CA LYS A 109 1.904 33.317 -4.326 1.00276.51 C ATOM 1761 C LYS A 109 1.647 34.789 -4.045 1.00276.51 C ATOM 1762 O LYS A 109 1.199 35.147 -2.955 1.00276.51 O ATOM 1763 CB LYS A 109 2.448 32.624 -3.086 1.00276.51 C ATOM 1764 CG LYS A 109 3.914 32.929 -2.831 1.00276.51 C ATOM 1765 CD LYS A 109 4.442 32.170 -1.625 1.00276.51 C ATOM 1766 CE LYS A 109 3.823 32.677 -0.331 1.00276.51 C ATOM 1767 NZ LYS A 109 3.955 31.686 0.773 1.00276.51 N ATOM 0 H LYS A 109 3.779 33.333 -5.264 1.00276.51 H new ATOM 0 HA LYS A 109 0.953 32.852 -4.586 1.00276.51 H new ATOM 0 HB2 LYS A 109 1.863 32.930 -2.219 1.00276.51 H new ATOM 0 HB3 LYS A 109 2.320 31.547 -3.193 1.00276.51 H new ATOM 0 HG2 LYS A 109 4.499 32.666 -3.712 1.00276.51 H new ATOM 0 HG3 LYS A 109 4.041 34.000 -2.672 1.00276.51 H new ATOM 0 HD2 LYS A 109 4.227 31.108 -1.740 1.00276.51 H new ATOM 0 HD3 LYS A 109 5.526 32.273 -1.575 1.00276.51 H new ATOM 0 HE2 LYS A 109 4.304 33.611 -0.040 1.00276.51 H new ATOM 0 HE3 LYS A 109 2.769 32.899 -0.495 1.00276.51 H new ATOM 0 HZ1 LYS A 109 3.521 32.069 1.637 1.00276.51 H new ATOM 0 HZ2 LYS A 109 3.474 30.803 0.506 1.00276.51 H new ATOM 0 HZ3 LYS A 109 4.962 31.493 0.948 1.00276.51 H new ATOM 1781 N ASP A 110 1.885 35.644 -5.041 1.00203.92 N ATOM 1782 CA ASP A 110 1.620 37.073 -4.889 1.00203.92 C ATOM 1783 C ASP A 110 0.164 37.264 -4.474 1.00203.92 C ATOM 1784 O ASP A 110 -0.176 38.172 -3.715 1.00203.92 O ATOM 1785 CB ASP A 110 1.902 37.822 -6.193 1.00203.92 C ATOM 1786 CG ASP A 110 3.382 37.876 -6.529 1.00203.92 C ATOM 1787 OD1 ASP A 110 4.204 37.515 -5.661 1.00203.92 O ATOM 1788 OD2 ASP A 110 3.718 38.282 -7.661 1.00203.92 O ATOM 0 H ASP A 110 2.257 35.375 -5.952 1.00203.92 H new ATOM 0 HA ASP A 110 2.279 37.480 -4.122 1.00203.92 H new ATOM 0 HB2 ASP A 110 1.366 37.337 -7.009 1.00203.92 H new ATOM 0 HB3 ASP A 110 1.514 38.838 -6.115 1.00203.92 H new ATOM 1793 N ILE A 111 -0.678 36.347 -4.950 1.00 50.97 N ATOM 1794 CA ILE A 111 -2.077 36.336 -4.617 1.00 50.97 C ATOM 1795 C ILE A 111 -2.247 35.546 -3.321 1.00 50.97 C ATOM 1796 O ILE A 111 -1.697 34.455 -3.180 1.00 50.97 O ATOM 1797 CB ILE A 111 -2.895 35.717 -5.777 1.00 50.97 C ATOM 1798 CG1 ILE A 111 -2.887 36.656 -6.982 1.00 50.97 C ATOM 1799 CG2 ILE A 111 -4.321 35.403 -5.355 1.00 50.97 C ATOM 1800 CD1 ILE A 111 -3.482 36.037 -8.228 1.00 50.97 C ATOM 0 H ILE A 111 -0.395 35.595 -5.578 1.00 50.97 H new ATOM 0 HA ILE A 111 -2.449 37.350 -4.470 1.00 50.97 H new ATOM 0 HB ILE A 111 -2.423 34.775 -6.055 1.00 50.97 H new ATOM 0 HG12 ILE A 111 -3.443 37.560 -6.733 1.00 50.97 H new ATOM 0 HG13 ILE A 111 -1.861 36.960 -7.190 1.00 50.97 H new ATOM 0 HG21 ILE A 111 -4.862 34.970 -6.196 1.00 50.97 H new ATOM 0 HG22 ILE A 111 -4.308 34.693 -4.528 1.00 50.97 H new ATOM 0 HG23 ILE A 111 -4.817 36.320 -5.038 1.00 50.97 H new ATOM 0 HD11 ILE A 111 -3.445 36.757 -9.045 1.00 50.97 H new ATOM 0 HD12 ILE A 111 -2.912 35.149 -8.501 1.00 50.97 H new ATOM 0 HD13 ILE A 111 -4.518 35.758 -8.037 1.00 50.97 H new ATOM 1812 N ILE A 112 -2.976 36.106 -2.368 1.00108.96 N ATOM 1813 CA ILE A 112 -3.162 35.444 -1.087 1.00108.96 C ATOM 1814 C ILE A 112 -4.377 34.532 -1.091 1.00108.96 C ATOM 1815 O ILE A 112 -5.462 34.921 -1.523 1.00108.96 O ATOM 1816 CB ILE A 112 -3.325 36.461 0.060 1.00108.96 C ATOM 1817 CG1 ILE A 112 -2.202 37.501 0.024 1.00108.96 C ATOM 1818 CG2 ILE A 112 -3.344 35.740 1.402 1.00108.96 C ATOM 1819 CD1 ILE A 112 -0.813 36.900 0.072 1.00108.96 C ATOM 0 H ILE A 112 -3.444 37.008 -2.456 1.00108.96 H new ATOM 0 HA ILE A 112 -2.263 34.849 -0.926 1.00108.96 H new ATOM 0 HB ILE A 112 -4.274 36.982 -0.070 1.00108.96 H new ATOM 0 HG12 ILE A 112 -2.299 38.096 -0.884 1.00108.96 H new ATOM 0 HG13 ILE A 112 -2.323 38.182 0.866 1.00108.96 H new ATOM 0 HG21 ILE A 112 -3.460 36.468 2.205 1.00108.96 H new ATOM 0 HG22 ILE A 112 -4.178 35.038 1.426 1.00108.96 H new ATOM 0 HG23 ILE A 112 -2.408 35.197 1.537 1.00108.96 H new ATOM 0 HD11 ILE A 112 -0.070 37.697 0.043 1.00108.96 H new ATOM 0 HD12 ILE A 112 -0.696 36.328 0.993 1.00108.96 H new ATOM 0 HD13 ILE A 112 -0.672 36.241 -0.785 1.00108.96 H new