USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 501 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 Single : A 4 THR OG1 : rot 34:sc= 0.609 USER MOD Single : A 5 GLN :FLIP amide:sc= -2.01 F(o=-4.3,f=-2) USER MOD Single : A 20 THR OG1 : rot -54:sc= -0.098 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -77:sc= 0.556 USER MOD Single : A 31 LYS NZ :NH3+ -120:sc= 0.282 (180deg=-1.78) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 130:sc= -6.59! USER MOD Single : A 44 MET CE :methyl 178:sc= 0 (180deg=-0.0179) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.17 F(o=-2.5!,f=-1.2) USER MOD Single : A 51 THR OG1 : rot 120:sc=-0.00041 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 157:sc= -1.2 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.600 1.606 -8.800 1.00 0.00 N ATOM 44 CA THR A 4 -10.193 1.928 -7.514 1.00 0.00 C ATOM 45 C THR A 4 -9.419 1.247 -6.384 1.00 0.00 C ATOM 46 O THR A 4 -8.412 0.584 -6.627 1.00 0.00 O ATOM 47 CB THR A 4 -11.670 1.533 -7.564 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.146 2.116 -8.774 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.496 2.218 -6.472 1.00 0.00 C ATOM 0 HA THR A 4 -10.134 2.996 -7.307 1.00 0.00 H new ATOM 0 HB THR A 4 -11.759 0.451 -7.464 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.434 2.101 -9.447 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.537 1.904 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.107 1.939 -5.493 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.433 3.299 -6.593 1.00 0.00 H new ATOM 57 N GLN A 5 -9.919 1.434 -5.171 1.00 0.00 N ATOM 58 CA GLN A 5 -9.288 0.844 -4.002 1.00 0.00 C ATOM 59 C GLN A 5 -9.133 -0.666 -4.187 1.00 0.00 C ATOM 60 O GLN A 5 -8.018 -1.169 -4.310 1.00 0.00 O ATOM 61 CB GLN A 5 -10.078 1.165 -2.732 1.00 0.00 C ATOM 62 CG GLN A 5 -9.352 0.647 -1.489 1.00 0.00 C ATOM 63 CD GLN A 5 -8.294 1.647 -1.017 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.172 1.624 -1.732 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -8.483 2.388 -0.068 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.754 1.986 -4.972 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.295 1.279 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.221 2.243 -2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.069 0.715 -2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.072 0.469 -0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.880 -0.310 -1.711 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.368 2.354 0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.756 3.042 0.221 1.00 0.00 H new ATOM 72 N GLU A 6 -10.269 -1.348 -4.201 1.00 0.00 N ATOM 73 CA GLU A 6 -10.275 -2.791 -4.367 1.00 0.00 C ATOM 74 C GLU A 6 -9.413 -3.189 -5.568 1.00 0.00 C ATOM 75 O GLU A 6 -8.994 -4.339 -5.680 1.00 0.00 O ATOM 76 CB GLU A 6 -11.702 -3.321 -4.517 1.00 0.00 C ATOM 77 CG GLU A 6 -12.163 -4.021 -3.238 1.00 0.00 C ATOM 78 CD GLU A 6 -13.584 -3.595 -2.861 1.00 0.00 C ATOM 79 OE1 GLU A 6 -13.777 -2.505 -2.304 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.506 -4.442 -3.167 1.00 0.00 O ATOM 0 H GLU A 6 -11.193 -0.927 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.849 -3.242 -3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.377 -2.497 -4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.749 -4.017 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.129 -5.101 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.480 -3.783 -2.423 1.00 0.00 H new ATOM 86 N GLU A 7 -9.177 -2.216 -6.434 1.00 0.00 N ATOM 87 CA GLU A 7 -8.373 -2.450 -7.622 1.00 0.00 C ATOM 88 C GLU A 7 -6.893 -2.559 -7.250 1.00 0.00 C ATOM 89 O GLU A 7 -6.186 -3.432 -7.751 1.00 0.00 O ATOM 90 CB GLU A 7 -8.598 -1.350 -8.662 1.00 0.00 C ATOM 91 CG GLU A 7 -9.181 -1.927 -9.954 1.00 0.00 C ATOM 92 CD GLU A 7 -10.648 -1.528 -10.118 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.297 -1.133 -9.138 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.114 -1.641 -11.316 1.00 0.00 O ATOM 0 H GLU A 7 -9.528 -1.263 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.685 -3.395 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.274 -0.596 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.654 -0.849 -8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.606 -1.570 -10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.095 -3.014 -9.943 1.00 0.00 H new ATOM 100 N ILE A 8 -6.469 -1.660 -6.373 1.00 0.00 N ATOM 101 CA ILE A 8 -5.086 -1.645 -5.927 1.00 0.00 C ATOM 102 C ILE A 8 -4.968 -2.428 -4.619 1.00 0.00 C ATOM 103 O ILE A 8 -3.870 -2.603 -4.093 1.00 0.00 O ATOM 104 CB ILE A 8 -4.570 -0.207 -5.833 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.078 0.635 -7.005 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.044 -0.179 -5.725 1.00 0.00 C ATOM 107 CD1 ILE A 8 -4.852 2.126 -6.745 1.00 0.00 C ATOM 0 H ILE A 8 -7.059 -0.937 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.445 -2.143 -6.655 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.965 0.240 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.564 0.339 -7.920 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.140 0.446 -7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.703 0.854 -5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.732 -0.721 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.608 -0.650 -6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.221 2.703 -7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.387 2.423 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.787 2.315 -6.614 1.00 0.00 H new ATOM 118 N ILE A 9 -6.114 -2.880 -4.131 1.00 0.00 N ATOM 119 CA ILE A 9 -6.153 -3.641 -2.893 1.00 0.00 C ATOM 120 C ILE A 9 -6.406 -5.115 -3.214 1.00 0.00 C ATOM 121 O ILE A 9 -5.803 -5.998 -2.608 1.00 0.00 O ATOM 122 CB ILE A 9 -7.173 -3.037 -1.925 1.00 0.00 C ATOM 123 CG1 ILE A 9 -6.784 -1.610 -1.538 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.361 -3.933 -0.700 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.343 -1.243 -0.162 1.00 0.00 C ATOM 0 H ILE A 9 -7.023 -2.734 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.192 -3.587 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.135 -2.980 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.698 -1.515 -1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.160 -0.911 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.091 -3.482 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.717 -4.913 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.409 -4.044 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.052 -0.223 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.430 -1.316 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.946 -1.928 0.587 1.00 0.00 H new ATOM 136 N ALA A 10 -7.299 -5.336 -4.167 1.00 0.00 N ATOM 137 CA ALA A 10 -7.640 -6.687 -4.576 1.00 0.00 C ATOM 138 C ALA A 10 -6.781 -7.084 -5.778 1.00 0.00 C ATOM 139 O ALA A 10 -6.396 -8.245 -5.914 1.00 0.00 O ATOM 140 CB ALA A 10 -9.139 -6.768 -4.879 1.00 0.00 C ATOM 0 H ALA A 10 -7.797 -4.601 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.431 -7.394 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.394 -7.782 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.706 -6.506 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.386 -6.073 -5.682 1.00 0.00 H new ATOM 146 N GLY A 11 -6.504 -6.098 -6.619 1.00 0.00 N ATOM 147 CA GLY A 11 -5.697 -6.329 -7.804 1.00 0.00 C ATOM 148 C GLY A 11 -4.232 -6.566 -7.432 1.00 0.00 C ATOM 149 O GLY A 11 -3.565 -7.412 -8.027 1.00 0.00 O ATOM 0 H GLY A 11 -6.825 -5.137 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.082 -7.192 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.772 -5.471 -8.472 1.00 0.00 H new ATOM 153 N ILE A 12 -3.773 -5.804 -6.451 1.00 0.00 N ATOM 154 CA ILE A 12 -2.399 -5.920 -5.993 1.00 0.00 C ATOM 155 C ILE A 12 -2.261 -7.168 -5.119 1.00 0.00 C ATOM 156 O ILE A 12 -1.400 -8.011 -5.366 1.00 0.00 O ATOM 157 CB ILE A 12 -1.955 -4.631 -5.298 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.862 -3.474 -6.296 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.644 -4.841 -4.540 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.577 -2.672 -6.087 1.00 0.00 C ATOM 0 H ILE A 12 -4.328 -5.103 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.725 -6.047 -6.840 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.712 -4.361 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.890 -3.864 -7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.726 -2.820 -6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.351 -3.910 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.780 -5.616 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.135 -5.147 -5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.536 -1.856 -6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.563 -2.264 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.285 -3.324 -6.227 1.00 0.00 H new ATOM 171 N ALA A 13 -3.122 -7.246 -4.115 1.00 0.00 N ATOM 172 CA ALA A 13 -3.107 -8.378 -3.203 1.00 0.00 C ATOM 173 C ALA A 13 -2.891 -9.666 -3.999 1.00 0.00 C ATOM 174 O ALA A 13 -2.064 -10.498 -3.629 1.00 0.00 O ATOM 175 CB ALA A 13 -4.407 -8.401 -2.397 1.00 0.00 C ATOM 0 H ALA A 13 -3.834 -6.544 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.285 -8.288 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.396 -9.250 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.498 -7.477 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.255 -8.493 -3.076 1.00 0.00 H new ATOM 181 N GLU A 14 -3.649 -9.791 -5.079 1.00 0.00 N ATOM 182 CA GLU A 14 -3.550 -10.964 -5.931 1.00 0.00 C ATOM 183 C GLU A 14 -2.126 -11.111 -6.470 1.00 0.00 C ATOM 184 O GLU A 14 -1.556 -12.200 -6.438 1.00 0.00 O ATOM 185 CB GLU A 14 -4.565 -10.899 -7.074 1.00 0.00 C ATOM 186 CG GLU A 14 -5.905 -11.506 -6.652 1.00 0.00 C ATOM 187 CD GLU A 14 -5.849 -13.035 -6.681 1.00 0.00 C ATOM 188 OE1 GLU A 14 -5.227 -13.615 -7.583 1.00 0.00 O ATOM 189 OE2 GLU A 14 -6.480 -13.622 -5.721 1.00 0.00 O ATOM 0 H GLU A 14 -4.334 -9.099 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.783 -11.844 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.711 -9.862 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.177 -11.433 -7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.162 -11.167 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.693 -11.155 -7.318 1.00 0.00 H new ATOM 195 N ILE A 15 -1.594 -9.998 -6.954 1.00 0.00 N ATOM 196 CA ILE A 15 -0.247 -9.989 -7.500 1.00 0.00 C ATOM 197 C ILE A 15 0.752 -10.314 -6.387 1.00 0.00 C ATOM 198 O ILE A 15 1.679 -11.097 -6.589 1.00 0.00 O ATOM 199 CB ILE A 15 0.033 -8.664 -8.211 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.819 -8.528 -9.475 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.526 -8.506 -8.508 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.469 -7.251 -10.238 1.00 0.00 C ATOM 0 H ILE A 15 -2.071 -9.097 -6.979 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.139 -10.762 -8.261 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.251 -7.852 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.663 -9.394 -10.118 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.875 -8.517 -9.206 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.698 -7.556 -9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.087 -8.526 -7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.858 -9.323 -9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.089 -7.180 -11.132 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.650 -6.385 -9.601 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.582 -7.276 -10.527 1.00 0.00 H new ATOM 213 N ILE A 16 0.529 -9.694 -5.236 1.00 0.00 N ATOM 214 CA ILE A 16 1.398 -9.907 -4.092 1.00 0.00 C ATOM 215 C ILE A 16 1.503 -11.407 -3.809 1.00 0.00 C ATOM 216 O ILE A 16 2.534 -11.883 -3.337 1.00 0.00 O ATOM 217 CB ILE A 16 0.917 -9.087 -2.893 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.916 -7.592 -3.217 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.743 -9.403 -1.645 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.760 -6.755 -1.946 1.00 0.00 C ATOM 0 H ILE A 16 -0.241 -9.045 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 16 2.406 -9.552 -4.308 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.113 -9.370 -2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.845 -7.325 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.103 -7.366 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.380 -8.807 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.648 -10.462 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.790 -9.166 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.762 -5.696 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.181 -7.007 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.588 -6.965 -1.268 1.00 0.00 H new ATOM 231 N GLU A 17 0.421 -12.111 -4.108 1.00 0.00 N ATOM 232 CA GLU A 17 0.378 -13.546 -3.891 1.00 0.00 C ATOM 233 C GLU A 17 1.135 -14.274 -5.003 1.00 0.00 C ATOM 234 O GLU A 17 1.168 -15.504 -5.036 1.00 0.00 O ATOM 235 CB GLU A 17 -1.066 -14.044 -3.795 1.00 0.00 C ATOM 236 CG GLU A 17 -1.115 -15.498 -3.322 1.00 0.00 C ATOM 237 CD GLU A 17 -1.768 -16.395 -4.374 1.00 0.00 C ATOM 238 OE1 GLU A 17 -2.556 -15.911 -5.202 1.00 0.00 O ATOM 239 OE2 GLU A 17 -1.431 -17.639 -4.315 1.00 0.00 O ATOM 0 H GLU A 17 -0.433 -11.713 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 17 0.867 -13.764 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.626 -13.414 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.549 -13.958 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.105 -15.851 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.673 -15.562 -2.388 1.00 0.00 H new ATOM 245 N GLU A 18 1.726 -13.485 -5.887 1.00 0.00 N ATOM 246 CA GLU A 18 2.481 -14.038 -6.999 1.00 0.00 C ATOM 247 C GLU A 18 3.980 -13.810 -6.787 1.00 0.00 C ATOM 248 O GLU A 18 4.782 -14.723 -6.976 1.00 0.00 O ATOM 249 CB GLU A 18 2.018 -13.441 -8.329 1.00 0.00 C ATOM 250 CG GLU A 18 0.516 -13.652 -8.530 1.00 0.00 C ATOM 251 CD GLU A 18 0.247 -14.581 -9.715 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.282 -15.811 -9.559 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.008 -13.984 -10.829 1.00 0.00 O ATOM 0 H GLU A 18 1.698 -12.466 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 18 2.298 -15.112 -7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.246 -12.375 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.567 -13.902 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.080 -14.075 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.029 -12.691 -8.699 1.00 0.00 H new ATOM 259 N VAL A 19 4.311 -12.588 -6.399 1.00 0.00 N ATOM 260 CA VAL A 19 5.698 -12.228 -6.160 1.00 0.00 C ATOM 261 C VAL A 19 6.115 -12.715 -4.771 1.00 0.00 C ATOM 262 O VAL A 19 6.951 -13.610 -4.648 1.00 0.00 O ATOM 263 CB VAL A 19 5.888 -10.721 -6.347 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.358 -10.382 -6.601 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.000 -10.193 -7.475 1.00 0.00 C ATOM 0 H VAL A 19 3.642 -11.834 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 19 6.349 -12.716 -6.885 1.00 0.00 H new ATOM 0 HB VAL A 19 5.585 -10.227 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.466 -9.305 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.958 -10.707 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.698 -10.892 -7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.154 -9.120 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.258 -10.696 -8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.954 -10.386 -7.236 1.00 0.00 H new ATOM 275 N THR A 20 5.513 -12.106 -3.760 1.00 0.00 N ATOM 276 CA THR A 20 5.812 -12.467 -2.385 1.00 0.00 C ATOM 277 C THR A 20 5.157 -13.804 -2.030 1.00 0.00 C ATOM 278 O THR A 20 5.625 -14.510 -1.139 1.00 0.00 O ATOM 279 CB THR A 20 5.363 -11.313 -1.486 1.00 0.00 C ATOM 280 OG1 THR A 20 3.940 -11.385 -1.512 1.00 0.00 O ATOM 281 CG2 THR A 20 5.678 -9.943 -2.090 1.00 0.00 C ATOM 0 H THR A 20 4.820 -11.365 -3.866 1.00 0.00 H new ATOM 0 HA THR A 20 6.882 -12.616 -2.238 1.00 0.00 H new ATOM 0 HB THR A 20 5.848 -11.401 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.629 -11.373 -2.441 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.339 -9.160 -1.412 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.753 -9.851 -2.242 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.166 -9.841 -3.047 1.00 0.00 H new ATOM 289 N GLY A 21 4.084 -14.109 -2.745 1.00 0.00 N ATOM 290 CA GLY A 21 3.361 -15.348 -2.516 1.00 0.00 C ATOM 291 C GLY A 21 2.505 -15.258 -1.251 1.00 0.00 C ATOM 292 O GLY A 21 2.175 -16.277 -0.647 1.00 0.00 O ATOM 0 H GLY A 21 3.698 -13.520 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.726 -15.566 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.067 -16.173 -2.424 1.00 0.00 H new ATOM 296 N ILE A 22 2.169 -14.028 -0.889 1.00 0.00 N ATOM 297 CA ILE A 22 1.358 -13.792 0.294 1.00 0.00 C ATOM 298 C ILE A 22 -0.120 -13.955 -0.066 1.00 0.00 C ATOM 299 O ILE A 22 -0.474 -14.004 -1.243 1.00 0.00 O ATOM 300 CB ILE A 22 1.695 -12.433 0.911 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.164 -12.370 1.332 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.751 -12.110 2.072 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.624 -10.922 1.503 1.00 0.00 C ATOM 0 H ILE A 22 2.443 -13.185 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 22 1.582 -14.530 1.064 1.00 0.00 H new ATOM 0 HB ILE A 22 1.546 -11.666 0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.301 -12.912 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.782 -12.866 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.011 -11.139 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.277 -12.084 1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.845 -12.876 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.672 -10.906 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.508 -10.390 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.020 -10.437 2.270 1.00 0.00 H new ATOM 314 N GLU A 23 -0.943 -14.034 0.969 1.00 0.00 N ATOM 315 CA GLU A 23 -2.375 -14.191 0.777 1.00 0.00 C ATOM 316 C GLU A 23 -2.975 -12.910 0.193 1.00 0.00 C ATOM 317 O GLU A 23 -2.468 -11.816 0.435 1.00 0.00 O ATOM 318 CB GLU A 23 -3.065 -14.574 2.087 1.00 0.00 C ATOM 319 CG GLU A 23 -3.532 -16.030 2.056 1.00 0.00 C ATOM 320 CD GLU A 23 -4.511 -16.316 3.196 1.00 0.00 C ATOM 321 OE1 GLU A 23 -4.184 -17.079 4.118 1.00 0.00 O ATOM 322 OE2 GLU A 23 -5.647 -15.714 3.104 1.00 0.00 O ATOM 0 H GLU A 23 -0.646 -13.992 1.944 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.541 -15.002 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.378 -14.426 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.919 -13.918 2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.010 -16.242 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.671 -16.694 2.136 1.00 0.00 H new ATOM 328 N PRO A 24 -4.075 -13.093 -0.583 1.00 0.00 N ATOM 329 CA PRO A 24 -4.751 -11.965 -1.203 1.00 0.00 C ATOM 330 C PRO A 24 -5.566 -11.181 -0.173 1.00 0.00 C ATOM 331 O PRO A 24 -5.459 -9.958 -0.092 1.00 0.00 O ATOM 332 CB PRO A 24 -5.608 -12.574 -2.300 1.00 0.00 C ATOM 333 CG PRO A 24 -5.741 -14.049 -1.955 1.00 0.00 C ATOM 334 CD PRO A 24 -4.704 -14.374 -0.892 1.00 0.00 C ATOM 0 HA PRO A 24 -4.056 -11.235 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.585 -12.094 -2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.144 -12.442 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.744 -14.266 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.585 -14.664 -2.841 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.167 -14.811 -0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.974 -15.095 -1.259 1.00 0.00 H new ATOM 339 N SER A 25 -6.363 -11.917 0.588 1.00 0.00 N ATOM 340 CA SER A 25 -7.195 -11.305 1.610 1.00 0.00 C ATOM 341 C SER A 25 -6.318 -10.724 2.722 1.00 0.00 C ATOM 342 O SER A 25 -6.735 -9.812 3.432 1.00 0.00 O ATOM 343 CB SER A 25 -8.187 -12.316 2.191 1.00 0.00 C ATOM 344 OG SER A 25 -9.518 -11.810 2.204 1.00 0.00 O ATOM 0 H SER A 25 -6.450 -12.931 0.517 1.00 0.00 H new ATOM 0 HA SER A 25 -7.766 -10.500 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.154 -13.234 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.888 -12.575 3.207 1.00 0.00 H new ATOM 0 HG SER A 25 -10.121 -12.485 2.580 1.00 0.00 H new ATOM 349 N GLU A 26 -5.120 -11.278 2.837 1.00 0.00 N ATOM 350 CA GLU A 26 -4.181 -10.826 3.849 1.00 0.00 C ATOM 351 C GLU A 26 -3.738 -9.391 3.560 1.00 0.00 C ATOM 352 O GLU A 26 -3.747 -8.543 4.450 1.00 0.00 O ATOM 353 CB GLU A 26 -2.976 -11.765 3.938 1.00 0.00 C ATOM 354 CG GLU A 26 -2.267 -11.622 5.286 1.00 0.00 C ATOM 355 CD GLU A 26 -0.909 -12.327 5.269 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.849 -13.552 5.093 1.00 0.00 O ATOM 357 OE2 GLU A 26 0.108 -11.553 5.447 1.00 0.00 O ATOM 0 H GLU A 26 -4.778 -12.036 2.246 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.684 -10.842 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.303 -12.796 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.278 -11.544 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.130 -10.566 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.890 -12.044 6.075 1.00 0.00 H new ATOM 363 N ILE A 27 -3.360 -9.163 2.311 1.00 0.00 N ATOM 364 CA ILE A 27 -2.914 -7.846 1.892 1.00 0.00 C ATOM 365 C ILE A 27 -4.045 -6.838 2.107 1.00 0.00 C ATOM 366 O ILE A 27 -5.143 -7.009 1.579 1.00 0.00 O ATOM 367 CB ILE A 27 -2.393 -7.887 0.454 1.00 0.00 C ATOM 368 CG1 ILE A 27 -0.937 -8.355 0.413 1.00 0.00 C ATOM 369 CG2 ILE A 27 -2.581 -6.536 -0.237 1.00 0.00 C ATOM 370 CD1 ILE A 27 -0.668 -9.411 1.488 1.00 0.00 C ATOM 0 H ILE A 27 -3.354 -9.869 1.575 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.072 -7.518 2.501 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.982 -8.616 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.712 -8.767 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.273 -7.503 0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.202 -6.593 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.641 -6.282 -0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.034 -5.768 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.374 -9.726 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.871 -8.988 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.316 -10.272 1.322 1.00 0.00 H new ATOM 381 N THR A 28 -3.737 -5.807 2.881 1.00 0.00 N ATOM 382 CA THR A 28 -4.714 -4.772 3.172 1.00 0.00 C ATOM 383 C THR A 28 -4.092 -3.385 2.990 1.00 0.00 C ATOM 384 O THR A 28 -2.880 -3.264 2.816 1.00 0.00 O ATOM 385 CB THR A 28 -5.254 -5.014 4.583 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.274 -5.850 5.191 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.524 -5.866 4.586 1.00 0.00 C ATOM 0 H THR A 28 -2.825 -5.667 3.315 1.00 0.00 H new ATOM 0 HA THR A 28 -5.552 -4.813 2.476 1.00 0.00 H new ATOM 0 HB THR A 28 -5.458 -4.057 5.062 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.380 -6.768 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.865 -6.007 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.301 -5.362 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.312 -6.836 4.137 1.00 0.00 H new ATOM 395 N PRO A 29 -4.971 -2.350 3.036 1.00 0.00 N ATOM 396 CA PRO A 29 -4.522 -0.978 2.878 1.00 0.00 C ATOM 397 C PRO A 29 -3.818 -0.482 4.143 1.00 0.00 C ATOM 398 O PRO A 29 -3.400 0.673 4.213 1.00 0.00 O ATOM 399 CB PRO A 29 -5.777 -0.187 2.549 1.00 0.00 C ATOM 400 CG PRO A 29 -6.944 -1.055 2.990 1.00 0.00 C ATOM 401 CD PRO A 29 -6.413 -2.457 3.240 1.00 0.00 C ATOM 0 HA PRO A 29 -3.780 -0.868 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.783 0.770 3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.833 0.031 1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.399 -0.652 3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.719 -1.071 2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.646 -2.794 4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -6.858 -3.177 2.553 1.00 0.00 H new ATOM 406 N GLU A 30 -3.708 -1.380 5.111 1.00 0.00 N ATOM 407 CA GLU A 30 -3.062 -1.049 6.370 1.00 0.00 C ATOM 408 C GLU A 30 -1.570 -1.377 6.303 1.00 0.00 C ATOM 409 O GLU A 30 -0.809 -1.010 7.197 1.00 0.00 O ATOM 410 CB GLU A 30 -3.732 -1.775 7.538 1.00 0.00 C ATOM 411 CG GLU A 30 -5.199 -1.361 7.671 1.00 0.00 C ATOM 412 CD GLU A 30 -5.407 -0.468 8.896 1.00 0.00 C ATOM 413 OE1 GLU A 30 -4.820 -0.724 9.958 1.00 0.00 O ATOM 414 OE2 GLU A 30 -6.211 0.526 8.716 1.00 0.00 O ATOM 0 H GLU A 30 -4.055 -2.337 5.049 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.171 0.022 6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.667 -2.852 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.201 -1.550 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.514 -0.831 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.825 -2.249 7.753 1.00 0.00 H new ATOM 420 N LYS A 31 -1.195 -2.066 5.234 1.00 0.00 N ATOM 421 CA LYS A 31 0.193 -2.447 5.039 1.00 0.00 C ATOM 422 C LYS A 31 1.072 -1.195 5.069 1.00 0.00 C ATOM 423 O LYS A 31 0.570 -0.077 4.963 1.00 0.00 O ATOM 424 CB LYS A 31 0.347 -3.275 3.762 1.00 0.00 C ATOM 425 CG LYS A 31 -0.463 -4.571 3.848 1.00 0.00 C ATOM 426 CD LYS A 31 0.454 -5.795 3.807 1.00 0.00 C ATOM 427 CE LYS A 31 0.162 -6.739 4.975 1.00 0.00 C ATOM 428 NZ LYS A 31 1.321 -7.624 5.229 1.00 0.00 N ATOM 0 H LYS A 31 -1.829 -2.370 4.495 1.00 0.00 H new ATOM 0 HA LYS A 31 0.528 -3.091 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.016 -2.691 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.399 -3.509 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.046 -4.579 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.173 -4.616 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.318 -6.325 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.495 -5.475 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.064 -6.160 5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.720 -7.340 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.032 -8.616 5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.080 -7.405 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.667 -7.473 6.198 1.00 0.00 H new ATOM 437 N SER A 32 2.368 -1.424 5.215 1.00 0.00 N ATOM 438 CA SER A 32 3.322 -0.328 5.261 1.00 0.00 C ATOM 439 C SER A 32 4.413 -0.540 4.209 1.00 0.00 C ATOM 440 O SER A 32 5.476 0.073 4.281 1.00 0.00 O ATOM 441 CB SER A 32 3.944 -0.197 6.652 1.00 0.00 C ATOM 442 OG SER A 32 4.033 1.161 7.071 1.00 0.00 O ATOM 0 H SER A 32 2.781 -2.353 5.303 1.00 0.00 H new ATOM 0 HA SER A 32 2.790 0.598 5.042 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.348 -0.760 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.940 -0.641 6.647 1.00 0.00 H new ATOM 0 HG SER A 32 4.434 1.202 7.964 1.00 0.00 H new ATOM 447 N PHE A 33 4.111 -1.409 3.255 1.00 0.00 N ATOM 448 CA PHE A 33 5.052 -1.710 2.190 1.00 0.00 C ATOM 449 C PHE A 33 6.110 -2.709 2.659 1.00 0.00 C ATOM 450 O PHE A 33 6.510 -3.595 1.905 1.00 0.00 O ATOM 451 CB PHE A 33 5.741 -0.394 1.818 1.00 0.00 C ATOM 452 CG PHE A 33 6.007 -0.233 0.321 1.00 0.00 C ATOM 453 CD1 PHE A 33 4.994 0.114 -0.518 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.257 -0.438 -0.173 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.241 0.263 -1.907 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.506 -0.289 -1.563 1.00 0.00 C ATOM 457 CZ PHE A 33 6.493 0.058 -2.401 1.00 0.00 C ATOM 0 H PHE A 33 3.227 -1.914 3.198 1.00 0.00 H new ATOM 0 HA PHE A 33 4.526 -2.149 1.342 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.123 0.437 2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.688 -0.327 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.001 0.276 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.061 -0.714 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.436 0.539 -2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.499 -0.451 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.682 0.171 -3.458 1.00 0.00 H new ATOM 466 N VAL A 34 6.535 -2.534 3.902 1.00 0.00 N ATOM 467 CA VAL A 34 7.539 -3.410 4.481 1.00 0.00 C ATOM 468 C VAL A 34 7.154 -3.737 5.926 1.00 0.00 C ATOM 469 O VAL A 34 7.052 -4.905 6.296 1.00 0.00 O ATOM 470 CB VAL A 34 8.923 -2.771 4.361 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.674 -2.833 5.694 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.736 -3.428 3.243 1.00 0.00 C ATOM 0 H VAL A 34 6.202 -1.798 4.524 1.00 0.00 H new ATOM 0 HA VAL A 34 7.583 -4.353 3.936 1.00 0.00 H new ATOM 0 HB VAL A 34 8.785 -1.721 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.655 -2.372 5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.107 -2.298 6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.795 -3.873 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.716 -2.955 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.859 -4.489 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.213 -3.308 2.294 1.00 0.00 H new ATOM 482 N ASP A 35 6.949 -2.682 6.702 1.00 0.00 N ATOM 483 CA ASP A 35 6.578 -2.842 8.098 1.00 0.00 C ATOM 484 C ASP A 35 5.618 -4.025 8.233 1.00 0.00 C ATOM 485 O ASP A 35 5.608 -4.707 9.257 1.00 0.00 O ATOM 486 CB ASP A 35 5.868 -1.593 8.625 1.00 0.00 C ATOM 487 CG ASP A 35 5.982 -1.373 10.134 1.00 0.00 C ATOM 488 OD1 ASP A 35 6.529 -2.215 10.863 1.00 0.00 O ATOM 489 OD2 ASP A 35 5.476 -0.267 10.564 1.00 0.00 O ATOM 0 H ASP A 35 7.033 -1.714 6.391 1.00 0.00 H new ATOM 0 HA ASP A 35 7.489 -3.008 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.274 -0.720 8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.812 -1.655 8.361 1.00 0.00 H new ATOM 494 N ASP A 36 4.833 -4.232 7.185 1.00 0.00 N ATOM 495 CA ASP A 36 3.872 -5.321 7.176 1.00 0.00 C ATOM 496 C ASP A 36 4.363 -6.421 6.231 1.00 0.00 C ATOM 497 O ASP A 36 4.691 -7.521 6.673 1.00 0.00 O ATOM 498 CB ASP A 36 2.506 -4.846 6.676 1.00 0.00 C ATOM 499 CG ASP A 36 1.324 -5.211 7.577 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.493 -4.357 7.918 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.276 -6.449 7.935 1.00 0.00 O ATOM 0 H ASP A 36 4.843 -3.664 6.338 1.00 0.00 H new ATOM 0 HA ASP A 36 3.774 -5.693 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.535 -3.762 6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.332 -5.267 5.686 1.00 0.00 H new ATOM 506 N LEU A 37 4.398 -6.085 4.950 1.00 0.00 N ATOM 507 CA LEU A 37 4.844 -7.030 3.941 1.00 0.00 C ATOM 508 C LEU A 37 6.038 -7.820 4.481 1.00 0.00 C ATOM 509 O LEU A 37 6.015 -9.050 4.498 1.00 0.00 O ATOM 510 CB LEU A 37 5.128 -6.310 2.622 1.00 0.00 C ATOM 511 CG LEU A 37 3.902 -5.823 1.845 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.317 -4.975 0.642 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.009 -6.997 1.438 1.00 0.00 C ATOM 0 H LEU A 37 4.125 -5.171 4.588 1.00 0.00 H new ATOM 0 HA LEU A 37 4.058 -7.752 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.766 -5.451 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.697 -6.982 1.980 1.00 0.00 H new ATOM 0 HG LEU A 37 3.313 -5.183 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.427 -4.642 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.880 -4.107 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.940 -5.571 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.145 -6.624 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.574 -7.682 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.670 -7.523 2.331 1.00 0.00 H new ATOM 524 N ASP A 38 7.051 -7.082 4.906 1.00 0.00 N ATOM 525 CA ASP A 38 8.252 -7.697 5.444 1.00 0.00 C ATOM 526 C ASP A 38 8.993 -8.427 4.322 1.00 0.00 C ATOM 527 O ASP A 38 9.928 -9.184 4.579 1.00 0.00 O ATOM 528 CB ASP A 38 7.908 -8.723 6.527 1.00 0.00 C ATOM 529 CG ASP A 38 8.878 -8.766 7.709 1.00 0.00 C ATOM 530 OD1 ASP A 38 9.957 -9.372 7.627 1.00 0.00 O ATOM 531 OD2 ASP A 38 8.484 -8.134 8.762 1.00 0.00 O ATOM 0 H ASP A 38 7.065 -6.062 4.889 1.00 0.00 H new ATOM 0 HA ASP A 38 8.869 -6.909 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.908 -8.509 6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.871 -9.712 6.071 1.00 0.00 H new ATOM 536 N ILE A 39 8.548 -8.173 3.100 1.00 0.00 N ATOM 537 CA ILE A 39 9.156 -8.797 1.937 1.00 0.00 C ATOM 538 C ILE A 39 10.271 -7.893 1.405 1.00 0.00 C ATOM 539 O ILE A 39 11.149 -8.349 0.673 1.00 0.00 O ATOM 540 CB ILE A 39 8.092 -9.139 0.894 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.454 -10.420 0.140 1.00 0.00 C ATOM 542 CG2 ILE A 39 7.857 -7.963 -0.057 1.00 0.00 C ATOM 543 CD1 ILE A 39 9.875 -10.343 -0.422 1.00 0.00 C ATOM 0 H ILE A 39 7.773 -7.543 2.890 1.00 0.00 H new ATOM 0 HA ILE A 39 9.616 -9.746 2.211 1.00 0.00 H new ATOM 0 HB ILE A 39 7.153 -9.326 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.370 -11.276 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.746 -10.580 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.096 -8.233 -0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.522 -7.096 0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.786 -7.721 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.107 -11.266 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.949 -9.500 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.583 -10.207 0.396 1.00 0.00 H new ATOM 554 N ASP A 40 10.201 -6.629 1.794 1.00 0.00 N ATOM 555 CA ASP A 40 11.192 -5.658 1.365 1.00 0.00 C ATOM 556 C ASP A 40 10.741 -5.021 0.049 1.00 0.00 C ATOM 557 O ASP A 40 9.614 -5.234 -0.393 1.00 0.00 O ATOM 558 CB ASP A 40 12.549 -6.324 1.127 1.00 0.00 C ATOM 559 CG ASP A 40 13.761 -5.415 1.333 1.00 0.00 C ATOM 560 OD1 ASP A 40 14.337 -4.887 0.369 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.119 -5.254 2.562 1.00 0.00 O ATOM 0 H ASP A 40 9.473 -6.255 2.402 1.00 0.00 H new ATOM 0 HA ASP A 40 11.291 -4.908 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.639 -7.180 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.573 -6.711 0.108 1.00 0.00 H new ATOM 566 N SER A 41 11.645 -4.251 -0.539 1.00 0.00 N ATOM 567 CA SER A 41 11.355 -3.582 -1.795 1.00 0.00 C ATOM 568 C SER A 41 11.745 -4.481 -2.970 1.00 0.00 C ATOM 569 O SER A 41 11.646 -4.075 -4.127 1.00 0.00 O ATOM 570 CB SER A 41 12.085 -2.242 -1.888 1.00 0.00 C ATOM 571 OG SER A 41 13.501 -2.404 -1.890 1.00 0.00 O ATOM 0 H SER A 41 12.579 -4.076 -0.168 1.00 0.00 H new ATOM 0 HA SER A 41 10.284 -3.385 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.778 -1.724 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.793 -1.611 -1.048 1.00 0.00 H new ATOM 0 HG SER A 41 13.931 -1.525 -1.952 1.00 0.00 H new ATOM 576 N LEU A 42 12.180 -5.686 -2.633 1.00 0.00 N ATOM 577 CA LEU A 42 12.586 -6.646 -3.645 1.00 0.00 C ATOM 578 C LEU A 42 11.350 -7.132 -4.406 1.00 0.00 C ATOM 579 O LEU A 42 11.160 -6.788 -5.571 1.00 0.00 O ATOM 580 CB LEU A 42 13.403 -7.776 -3.016 1.00 0.00 C ATOM 581 CG LEU A 42 14.860 -7.883 -3.469 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.802 -7.987 -2.268 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.046 -9.046 -4.446 1.00 0.00 C ATOM 0 H LEU A 42 12.260 -6.020 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 42 13.246 -6.174 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.388 -7.649 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.906 -8.721 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 42 15.120 -6.969 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.831 -8.062 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.695 -7.100 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.552 -8.873 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.091 -9.100 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.762 -9.979 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.418 -8.888 -5.323 1.00 0.00 H new ATOM 594 N SER A 43 10.542 -7.923 -3.715 1.00 0.00 N ATOM 595 CA SER A 43 9.331 -8.458 -4.312 1.00 0.00 C ATOM 596 C SER A 43 8.359 -7.321 -4.634 1.00 0.00 C ATOM 597 O SER A 43 7.754 -7.302 -5.706 1.00 0.00 O ATOM 598 CB SER A 43 8.665 -9.478 -3.384 1.00 0.00 C ATOM 599 OG SER A 43 8.002 -10.508 -4.112 1.00 0.00 O ATOM 0 H SER A 43 10.702 -8.206 -2.748 1.00 0.00 H new ATOM 0 HA SER A 43 9.602 -8.968 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.418 -9.921 -2.733 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.947 -8.969 -2.741 1.00 0.00 H new ATOM 0 HG SER A 43 8.278 -11.383 -3.766 1.00 0.00 H new ATOM 604 N MET A 44 8.240 -6.401 -3.689 1.00 0.00 N ATOM 605 CA MET A 44 7.353 -5.263 -3.860 1.00 0.00 C ATOM 606 C MET A 44 7.634 -4.541 -5.178 1.00 0.00 C ATOM 607 O MET A 44 6.728 -3.971 -5.784 1.00 0.00 O ATOM 608 CB MET A 44 7.540 -4.290 -2.694 1.00 0.00 C ATOM 609 CG MET A 44 6.503 -4.540 -1.599 1.00 0.00 C ATOM 610 SD MET A 44 5.466 -3.100 -1.400 1.00 0.00 S ATOM 611 CE MET A 44 4.519 -3.189 -2.911 1.00 0.00 C ATOM 0 H MET A 44 8.743 -6.420 -2.802 1.00 0.00 H new ATOM 0 HA MET A 44 6.326 -5.627 -3.880 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.543 -4.400 -2.282 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.454 -3.265 -3.054 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.892 -5.405 -1.856 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.003 -4.771 -0.659 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.792 -2.377 -2.933 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.189 -3.099 -3.766 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.997 -4.145 -2.958 1.00 0.00 H new ATOM 619 N VAL A 45 8.895 -4.589 -5.585 1.00 0.00 N ATOM 620 CA VAL A 45 9.307 -3.946 -6.821 1.00 0.00 C ATOM 621 C VAL A 45 8.564 -4.585 -7.996 1.00 0.00 C ATOM 622 O VAL A 45 8.163 -3.895 -8.932 1.00 0.00 O ATOM 623 CB VAL A 45 10.828 -4.017 -6.966 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.223 -4.602 -8.323 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.465 -2.641 -6.755 1.00 0.00 C ATOM 0 H VAL A 45 9.644 -5.063 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 45 9.044 -2.888 -6.807 1.00 0.00 H new ATOM 0 HB VAL A 45 11.207 -4.683 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.310 -4.641 -8.400 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.816 -5.609 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.825 -3.973 -9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.547 -2.720 -6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.076 -1.943 -7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.226 -2.279 -5.755 1.00 0.00 H new ATOM 635 N GLU A 46 8.404 -5.897 -7.909 1.00 0.00 N ATOM 636 CA GLU A 46 7.716 -6.638 -8.954 1.00 0.00 C ATOM 637 C GLU A 46 6.220 -6.322 -8.931 1.00 0.00 C ATOM 638 O GLU A 46 5.654 -5.906 -9.941 1.00 0.00 O ATOM 639 CB GLU A 46 7.961 -8.142 -8.811 1.00 0.00 C ATOM 640 CG GLU A 46 8.692 -8.696 -10.036 1.00 0.00 C ATOM 641 CD GLU A 46 9.830 -9.631 -9.619 1.00 0.00 C ATOM 642 OE1 GLU A 46 9.575 -10.701 -9.048 1.00 0.00 O ATOM 643 OE2 GLU A 46 11.015 -9.211 -9.910 1.00 0.00 O ATOM 0 H GLU A 46 8.739 -6.466 -7.132 1.00 0.00 H new ATOM 0 HA GLU A 46 8.118 -6.327 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.549 -8.335 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.010 -8.659 -8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.988 -9.234 -10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.091 -7.873 -10.629 1.00 0.00 H new ATOM 649 N ILE A 47 5.621 -6.533 -7.768 1.00 0.00 N ATOM 650 CA ILE A 47 4.201 -6.275 -7.601 1.00 0.00 C ATOM 651 C ILE A 47 3.825 -5.000 -8.358 1.00 0.00 C ATOM 652 O ILE A 47 2.790 -4.949 -9.021 1.00 0.00 O ATOM 653 CB ILE A 47 3.833 -6.239 -6.116 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.670 -7.654 -5.557 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.589 -5.381 -5.879 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.349 -7.786 -4.192 1.00 0.00 C ATOM 0 H ILE A 47 6.093 -6.880 -6.933 1.00 0.00 H new ATOM 0 HA ILE A 47 3.614 -7.087 -8.032 1.00 0.00 H new ATOM 0 HB ILE A 47 4.654 -5.771 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.610 -7.893 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.100 -8.375 -6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.350 -5.373 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.780 -4.362 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.749 -5.796 -6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.218 -8.801 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.413 -7.571 -4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.900 -7.080 -3.493 1.00 0.00 H new ATOM 667 N ALA A 48 4.687 -4.001 -8.234 1.00 0.00 N ATOM 668 CA ALA A 48 4.458 -2.730 -8.899 1.00 0.00 C ATOM 669 C ALA A 48 4.774 -2.873 -10.388 1.00 0.00 C ATOM 670 O ALA A 48 3.997 -2.438 -11.237 1.00 0.00 O ATOM 671 CB ALA A 48 5.300 -1.643 -8.227 1.00 0.00 C ATOM 0 H ALA A 48 5.544 -4.046 -7.683 1.00 0.00 H new ATOM 0 HA ALA A 48 3.412 -2.435 -8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.128 -0.689 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.017 -1.560 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.356 -1.905 -8.298 1.00 0.00 H new ATOM 677 N VAL A 49 5.917 -3.486 -10.662 1.00 0.00 N ATOM 678 CA VAL A 49 6.346 -3.692 -12.034 1.00 0.00 C ATOM 679 C VAL A 49 5.186 -4.276 -12.844 1.00 0.00 C ATOM 680 O VAL A 49 5.136 -4.121 -14.063 1.00 0.00 O ATOM 681 CB VAL A 49 7.598 -4.571 -12.065 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.240 -6.025 -12.375 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.621 -4.033 -13.067 1.00 0.00 C ATOM 0 H VAL A 49 6.559 -3.847 -9.956 1.00 0.00 H new ATOM 0 HA VAL A 49 6.620 -2.743 -12.495 1.00 0.00 H new ATOM 0 HB VAL A 49 8.052 -4.542 -11.074 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.148 -6.628 -12.391 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.566 -6.405 -11.608 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.751 -6.080 -13.348 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.501 -4.676 -13.069 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.180 -4.017 -14.064 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.911 -3.022 -12.783 1.00 0.00 H new ATOM 693 N GLN A 50 4.283 -4.935 -12.134 1.00 0.00 N ATOM 694 CA GLN A 50 3.128 -5.543 -12.771 1.00 0.00 C ATOM 695 C GLN A 50 1.964 -4.550 -12.817 1.00 0.00 C ATOM 696 O GLN A 50 1.486 -4.199 -13.896 1.00 0.00 O ATOM 697 CB GLN A 50 2.720 -6.830 -12.053 1.00 0.00 C ATOM 698 CG GLN A 50 3.877 -7.831 -12.022 1.00 0.00 C ATOM 699 CD GLN A 50 3.403 -9.203 -11.538 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.741 -9.481 -10.282 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.773 -9.960 -12.259 1.00 0.00 N flip ATOM 0 H GLN A 50 4.328 -5.061 -11.123 1.00 0.00 H new ATOM 0 HA GLN A 50 3.398 -5.806 -13.794 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.407 -6.599 -11.035 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.862 -7.276 -12.557 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.310 -7.923 -13.018 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.664 -7.462 -11.365 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.547 -9.684 -13.214 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.473 -10.869 -11.906 1.00 0.00 H new ATOM 708 N THR A 51 1.542 -4.125 -11.636 1.00 0.00 N ATOM 709 CA THR A 51 0.444 -3.179 -11.529 1.00 0.00 C ATOM 710 C THR A 51 0.694 -1.967 -12.429 1.00 0.00 C ATOM 711 O THR A 51 -0.231 -1.455 -13.057 1.00 0.00 O ATOM 712 CB THR A 51 0.275 -2.815 -10.053 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.673 -3.761 -9.567 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.413 -1.462 -9.857 1.00 0.00 C ATOM 0 H THR A 51 1.941 -4.418 -10.744 1.00 0.00 H new ATOM 0 HA THR A 51 -0.490 -3.617 -11.879 1.00 0.00 H new ATOM 0 HB THR A 51 1.252 -2.798 -9.571 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.270 -4.287 -8.845 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.508 -1.253 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.182 -0.680 -10.329 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.404 -1.488 -10.311 1.00 0.00 H new ATOM 722 N GLU A 52 1.949 -1.545 -12.463 1.00 0.00 N ATOM 723 CA GLU A 52 2.333 -0.403 -13.276 1.00 0.00 C ATOM 724 C GLU A 52 2.363 -0.791 -14.755 1.00 0.00 C ATOM 725 O GLU A 52 2.637 0.045 -15.615 1.00 0.00 O ATOM 726 CB GLU A 52 3.682 0.161 -12.828 1.00 0.00 C ATOM 727 CG GLU A 52 3.554 0.898 -11.493 1.00 0.00 C ATOM 728 CD GLU A 52 4.813 0.717 -10.644 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.656 -0.136 -10.958 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.900 1.503 -9.624 1.00 0.00 O ATOM 0 H GLU A 52 2.713 -1.973 -11.941 1.00 0.00 H new ATOM 0 HA GLU A 52 1.588 0.381 -13.142 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.405 -0.649 -12.732 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.066 0.842 -13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.383 1.959 -11.674 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.687 0.524 -10.949 1.00 0.00 H new ATOM 736 N ASP A 53 2.079 -2.060 -15.008 1.00 0.00 N ATOM 737 CA ASP A 53 2.071 -2.569 -16.368 1.00 0.00 C ATOM 738 C ASP A 53 0.662 -3.050 -16.720 1.00 0.00 C ATOM 739 O ASP A 53 0.036 -2.529 -17.642 1.00 0.00 O ATOM 740 CB ASP A 53 3.027 -3.755 -16.519 1.00 0.00 C ATOM 741 CG ASP A 53 3.998 -3.658 -17.697 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.159 -3.253 -17.537 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.511 -4.023 -18.835 1.00 0.00 O ATOM 0 H ASP A 53 1.853 -2.751 -14.293 1.00 0.00 H new ATOM 0 HA ASP A 53 2.388 -1.764 -17.031 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.604 -3.856 -15.600 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.438 -4.666 -16.628 1.00 0.00 H new ATOM 748 N LYS A 54 0.204 -4.040 -15.967 1.00 0.00 N ATOM 749 CA LYS A 54 -1.119 -4.598 -16.188 1.00 0.00 C ATOM 750 C LYS A 54 -2.116 -3.459 -16.414 1.00 0.00 C ATOM 751 O LYS A 54 -2.971 -3.543 -17.294 1.00 0.00 O ATOM 752 CB LYS A 54 -1.504 -5.534 -15.041 1.00 0.00 C ATOM 753 CG LYS A 54 -1.158 -6.986 -15.378 1.00 0.00 C ATOM 754 CD LYS A 54 -1.273 -7.878 -14.140 1.00 0.00 C ATOM 755 CE LYS A 54 -2.452 -8.845 -14.269 1.00 0.00 C ATOM 756 NZ LYS A 54 -2.035 -10.079 -14.972 1.00 0.00 N ATOM 0 H LYS A 54 0.726 -4.470 -15.203 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.128 -5.214 -17.087 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.983 -5.234 -14.132 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.572 -5.448 -14.840 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.827 -7.352 -16.157 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.145 -7.039 -15.776 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.349 -8.441 -14.006 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.401 -7.259 -13.252 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.835 -9.095 -13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.265 -8.366 -14.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.847 -10.725 -15.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.691 -9.837 -15.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.274 -10.544 -14.436 1.00 0.00 H new ATOM 765 N TYR A 55 -1.974 -2.421 -15.603 1.00 0.00 N ATOM 766 CA TYR A 55 -2.851 -1.267 -15.703 1.00 0.00 C ATOM 767 C TYR A 55 -2.133 -0.088 -16.361 1.00 0.00 C ATOM 768 O TYR A 55 -2.650 0.513 -17.301 1.00 0.00 O ATOM 769 CB TYR A 55 -3.217 -0.890 -14.267 1.00 0.00 C ATOM 770 CG TYR A 55 -4.694 -1.102 -13.924 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.664 -0.363 -14.568 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.054 -2.033 -12.971 1.00 0.00 C ATOM 773 CE1 TYR A 55 -7.054 -0.563 -14.246 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.442 -2.233 -12.649 1.00 0.00 C ATOM 775 CZ TYR A 55 -7.374 -1.488 -13.302 1.00 0.00 C ATOM 776 OH TYR A 55 -8.687 -1.677 -12.998 1.00 0.00 O ATOM 0 H TYR A 55 -1.264 -2.355 -14.873 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.726 -1.501 -16.309 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.607 -1.478 -13.581 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.963 0.157 -14.101 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.382 0.366 -15.314 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.294 -2.611 -12.467 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.824 0.009 -14.743 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.737 -2.958 -11.905 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.808 -2.570 -12.613 1.00 0.00 H new ATOM 785 N GLY A 56 -0.951 0.209 -15.839 1.00 0.00 N ATOM 786 CA GLY A 56 -0.156 1.307 -16.364 1.00 0.00 C ATOM 787 C GLY A 56 -0.202 2.515 -15.425 1.00 0.00 C ATOM 788 O GLY A 56 -0.270 3.656 -15.880 1.00 0.00 O ATOM 0 H GLY A 56 -0.525 -0.291 -15.059 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.876 0.983 -16.495 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.528 1.592 -17.348 1.00 0.00 H new ATOM 792 N VAL A 57 -0.165 2.223 -14.134 1.00 0.00 N ATOM 793 CA VAL A 57 -0.201 3.270 -13.127 1.00 0.00 C ATOM 794 C VAL A 57 1.149 3.989 -13.097 1.00 0.00 C ATOM 795 O VAL A 57 2.180 3.397 -13.412 1.00 0.00 O ATOM 796 CB VAL A 57 -0.595 2.680 -11.771 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.805 1.753 -11.908 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.585 1.951 -11.128 1.00 0.00 C ATOM 0 H VAL A 57 -0.110 1.275 -13.761 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.959 4.012 -13.375 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.877 3.504 -11.115 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.065 1.347 -10.930 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.651 2.315 -12.304 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.562 0.936 -12.587 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.279 1.541 -10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.911 1.141 -11.780 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.407 2.651 -10.979 1.00 0.00 H new ATOM 808 N LYS A 58 1.099 5.258 -12.715 1.00 0.00 N ATOM 809 CA LYS A 58 2.305 6.064 -12.639 1.00 0.00 C ATOM 810 C LYS A 58 2.716 6.224 -11.175 1.00 0.00 C ATOM 811 O LYS A 58 2.008 6.860 -10.394 1.00 0.00 O ATOM 812 CB LYS A 58 2.108 7.393 -13.372 1.00 0.00 C ATOM 813 CG LYS A 58 0.966 8.198 -12.749 1.00 0.00 C ATOM 814 CD LYS A 58 -0.084 8.563 -13.801 1.00 0.00 C ATOM 815 CE LYS A 58 -1.494 8.514 -13.208 1.00 0.00 C ATOM 816 NZ LYS A 58 -2.510 8.586 -14.282 1.00 0.00 N ATOM 0 H LYS A 58 0.242 5.747 -12.455 1.00 0.00 H new ATOM 0 HA LYS A 58 3.129 5.565 -13.148 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.030 7.973 -13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.893 7.204 -14.424 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.501 7.619 -11.951 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.362 9.106 -12.295 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.117 9.562 -14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.015 7.874 -14.643 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.623 7.594 -12.638 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.632 9.342 -12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.461 8.552 -13.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.396 9.475 -14.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.388 7.782 -14.930 1.00 0.00 H new ATOM 825 N ILE A 59 3.856 5.637 -10.844 1.00 0.00 N ATOM 826 CA ILE A 59 4.369 5.706 -9.487 1.00 0.00 C ATOM 827 C ILE A 59 5.897 5.634 -9.519 1.00 0.00 C ATOM 828 O ILE A 59 6.480 4.596 -9.209 1.00 0.00 O ATOM 829 CB ILE A 59 3.721 4.631 -8.613 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.196 4.750 -8.639 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.275 4.674 -7.188 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.558 3.865 -7.565 1.00 0.00 C ATOM 0 H ILE A 59 4.440 5.110 -11.494 1.00 0.00 H new ATOM 0 HA ILE A 59 4.104 6.659 -9.028 1.00 0.00 H new ATOM 0 HB ILE A 59 3.975 3.655 -9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.906 5.788 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.822 4.462 -9.622 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.797 3.899 -6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.351 4.503 -7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.072 5.650 -6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.474 3.968 -7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.830 2.824 -7.742 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.915 4.171 -6.582 1.00 0.00 H new ATOM 843 N PRO A 60 6.518 6.780 -9.906 1.00 0.00 N ATOM 844 CA PRO A 60 7.968 6.856 -9.982 1.00 0.00 C ATOM 845 C PRO A 60 8.587 6.951 -8.587 1.00 0.00 C ATOM 846 O PRO A 60 7.876 7.142 -7.600 1.00 0.00 O ATOM 847 CB PRO A 60 8.253 8.076 -10.843 1.00 0.00 C ATOM 848 CG PRO A 60 6.977 8.902 -10.831 1.00 0.00 C ATOM 849 CD PRO A 60 5.862 8.029 -10.280 1.00 0.00 C ATOM 0 HA PRO A 60 8.413 5.963 -10.420 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.092 8.647 -10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.519 7.784 -11.859 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.104 9.792 -10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.733 9.243 -11.837 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.381 8.496 -9.421 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.086 7.860 -11.026 1.00 0.00 H new ATOM 854 N ASP A 61 9.903 6.816 -8.548 1.00 0.00 N ATOM 855 CA ASP A 61 10.626 6.885 -7.288 1.00 0.00 C ATOM 856 C ASP A 61 10.345 8.230 -6.617 1.00 0.00 C ATOM 857 O ASP A 61 10.173 8.298 -5.401 1.00 0.00 O ATOM 858 CB ASP A 61 12.136 6.774 -7.512 1.00 0.00 C ATOM 859 CG ASP A 61 12.747 5.421 -7.141 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.334 5.261 -6.061 1.00 0.00 O ATOM 861 OD2 ASP A 61 12.599 4.495 -8.026 1.00 0.00 O ATOM 0 H ASP A 61 10.489 6.659 -9.368 1.00 0.00 H new ATOM 0 HA ASP A 61 10.293 6.057 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.348 6.976 -8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.632 7.551 -6.931 1.00 0.00 H new ATOM 866 N GLU A 62 10.308 9.268 -7.439 1.00 0.00 N ATOM 867 CA GLU A 62 10.051 10.609 -6.940 1.00 0.00 C ATOM 868 C GLU A 62 8.862 10.598 -5.977 1.00 0.00 C ATOM 869 O GLU A 62 8.741 11.477 -5.125 1.00 0.00 O ATOM 870 CB GLU A 62 9.812 11.587 -8.092 1.00 0.00 C ATOM 871 CG GLU A 62 11.097 11.818 -8.890 1.00 0.00 C ATOM 872 CD GLU A 62 11.198 13.270 -9.359 1.00 0.00 C ATOM 873 OE1 GLU A 62 10.529 13.658 -10.328 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.008 14.008 -8.677 1.00 0.00 O ATOM 0 H GLU A 62 10.452 9.208 -8.447 1.00 0.00 H new ATOM 0 HA GLU A 62 10.933 10.947 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.036 11.196 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.448 12.536 -7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.961 11.570 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.119 11.151 -9.752 1.00 0.00 H new ATOM 880 N ASP A 63 8.015 9.593 -6.142 1.00 0.00 N ATOM 881 CA ASP A 63 6.841 9.456 -5.298 1.00 0.00 C ATOM 882 C ASP A 63 6.981 8.199 -4.438 1.00 0.00 C ATOM 883 O ASP A 63 6.578 8.189 -3.276 1.00 0.00 O ATOM 884 CB ASP A 63 5.571 9.314 -6.139 1.00 0.00 C ATOM 885 CG ASP A 63 4.629 10.519 -6.096 1.00 0.00 C ATOM 886 OD1 ASP A 63 3.398 10.368 -6.116 1.00 0.00 O ATOM 887 OD2 ASP A 63 5.214 11.666 -6.038 1.00 0.00 O ATOM 0 H ASP A 63 8.119 8.865 -6.849 1.00 0.00 H new ATOM 0 HA ASP A 63 6.765 10.350 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.858 9.133 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.026 8.433 -5.800 1.00 0.00 H new ATOM 892 N LEU A 64 7.556 7.168 -5.041 1.00 0.00 N ATOM 893 CA LEU A 64 7.753 5.909 -4.345 1.00 0.00 C ATOM 894 C LEU A 64 8.540 6.161 -3.057 1.00 0.00 C ATOM 895 O LEU A 64 8.524 5.338 -2.143 1.00 0.00 O ATOM 896 CB LEU A 64 8.406 4.881 -5.271 1.00 0.00 C ATOM 897 CG LEU A 64 8.065 3.415 -4.993 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.554 2.993 -3.606 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.569 3.156 -5.177 1.00 0.00 C ATOM 0 H LEU A 64 7.892 7.180 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 64 6.794 5.480 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.119 5.112 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.488 5.000 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 64 8.590 2.797 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.299 1.947 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.635 3.118 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.076 3.613 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.354 2.107 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.004 3.783 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.282 3.393 -6.201 1.00 0.00 H new ATOM 910 N ALA A 65 9.211 7.303 -3.026 1.00 0.00 N ATOM 911 CA ALA A 65 10.002 7.675 -1.865 1.00 0.00 C ATOM 912 C ALA A 65 9.067 7.993 -0.696 1.00 0.00 C ATOM 913 O ALA A 65 9.346 7.627 0.444 1.00 0.00 O ATOM 914 CB ALA A 65 10.911 8.852 -2.222 1.00 0.00 C ATOM 0 H ALA A 65 9.223 7.983 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 65 10.644 6.849 -1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.504 9.131 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.576 8.564 -3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.302 9.701 -2.533 1.00 0.00 H new ATOM 920 N GLY A 66 7.977 8.672 -1.020 1.00 0.00 N ATOM 921 CA GLY A 66 7.000 9.045 -0.011 1.00 0.00 C ATOM 922 C GLY A 66 6.074 7.871 0.314 1.00 0.00 C ATOM 923 O GLY A 66 5.807 7.590 1.482 1.00 0.00 O ATOM 0 H GLY A 66 7.748 8.974 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.513 9.370 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.411 9.891 -0.365 1.00 0.00 H new ATOM 927 N LEU A 67 5.607 7.216 -0.740 1.00 0.00 N ATOM 928 CA LEU A 67 4.717 6.079 -0.581 1.00 0.00 C ATOM 929 C LEU A 67 5.172 5.245 0.618 1.00 0.00 C ATOM 930 O LEU A 67 6.263 4.678 0.607 1.00 0.00 O ATOM 931 CB LEU A 67 4.626 5.284 -1.884 1.00 0.00 C ATOM 932 CG LEU A 67 3.864 5.956 -3.028 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.522 4.947 -4.127 1.00 0.00 C ATOM 934 CD2 LEU A 67 2.620 6.679 -2.508 1.00 0.00 C ATOM 0 H LEU A 67 5.829 7.452 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 67 3.702 6.416 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.638 5.068 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.150 4.327 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 67 4.513 6.710 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.981 5.451 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.441 4.517 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.900 4.154 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.097 7.148 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.959 5.962 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.917 7.443 -1.790 1.00 0.00 H new ATOM 945 N ARG A 68 4.311 5.196 1.625 1.00 0.00 N ATOM 946 CA ARG A 68 4.610 4.440 2.829 1.00 0.00 C ATOM 947 C ARG A 68 3.648 3.258 2.968 1.00 0.00 C ATOM 948 O ARG A 68 4.044 2.178 3.400 1.00 0.00 O ATOM 949 CB ARG A 68 4.506 5.324 4.074 1.00 0.00 C ATOM 950 CG ARG A 68 5.876 5.515 4.728 1.00 0.00 C ATOM 951 CD ARG A 68 5.802 5.273 6.237 1.00 0.00 C ATOM 952 NE ARG A 68 7.168 5.214 6.807 1.00 0.00 N ATOM 953 CZ ARG A 68 8.052 4.227 6.551 1.00 0.00 C ATOM 954 NH1 ARG A 68 7.722 3.207 5.731 1.00 0.00 N ATOM 955 NH2 ARG A 68 9.245 4.276 7.115 1.00 0.00 N ATOM 0 H ARG A 68 3.407 5.668 1.631 1.00 0.00 H new ATOM 0 HA ARG A 68 5.632 4.071 2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.091 6.294 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.818 4.872 4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.595 4.829 4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.237 6.525 4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.234 6.071 6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.274 4.341 6.439 1.00 0.00 H new ATOM 0 HE ARG A 68 7.458 5.966 7.432 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.798 3.178 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.396 2.465 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.486 5.051 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.926 3.539 6.933 1.00 0.00 H new ATOM 964 N THR A 69 2.401 3.506 2.594 1.00 0.00 N ATOM 965 CA THR A 69 1.379 2.476 2.671 1.00 0.00 C ATOM 966 C THR A 69 0.584 2.415 1.364 1.00 0.00 C ATOM 967 O THR A 69 0.733 3.279 0.501 1.00 0.00 O ATOM 968 CB THR A 69 0.511 2.764 3.897 1.00 0.00 C ATOM 969 OG1 THR A 69 0.074 4.106 3.706 1.00 0.00 O ATOM 970 CG2 THR A 69 1.325 2.816 5.191 1.00 0.00 C ATOM 0 H THR A 69 2.076 4.404 2.237 1.00 0.00 H new ATOM 0 HA THR A 69 1.821 1.487 2.792 1.00 0.00 H new ATOM 0 HB THR A 69 -0.260 1.998 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.497 4.374 4.456 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.661 3.023 6.030 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.820 1.858 5.348 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.074 3.604 5.118 1.00 0.00 H new ATOM 978 N VAL A 70 -0.241 1.384 1.259 1.00 0.00 N ATOM 979 CA VAL A 70 -1.059 1.198 0.073 1.00 0.00 C ATOM 980 C VAL A 70 -1.906 2.451 -0.159 1.00 0.00 C ATOM 981 O VAL A 70 -1.858 3.047 -1.234 1.00 0.00 O ATOM 982 CB VAL A 70 -1.898 -0.075 0.210 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.477 -0.497 -1.142 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.079 -1.206 0.834 1.00 0.00 C ATOM 0 H VAL A 70 -0.361 0.669 1.976 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.430 1.063 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.732 0.142 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.069 -1.404 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.111 0.300 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.664 -0.688 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.698 -2.099 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.217 -1.422 0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.737 -0.904 1.824 1.00 0.00 H new ATOM 994 N GLY A 71 -2.662 2.813 0.868 1.00 0.00 N ATOM 995 CA GLY A 71 -3.518 3.984 0.789 1.00 0.00 C ATOM 996 C GLY A 71 -2.790 5.152 0.122 1.00 0.00 C ATOM 997 O GLY A 71 -3.411 5.970 -0.556 1.00 0.00 O ATOM 0 H GLY A 71 -2.699 2.316 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.419 3.743 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.837 4.274 1.790 1.00 0.00 H new ATOM 1001 N ASP A 72 -1.484 5.194 0.337 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.664 6.249 -0.235 1.00 0.00 C ATOM 1003 C ASP A 72 -0.211 5.833 -1.636 1.00 0.00 C ATOM 1004 O ASP A 72 -0.133 6.665 -2.539 1.00 0.00 O ATOM 1005 CB ASP A 72 0.585 6.496 0.613 1.00 0.00 C ATOM 1006 CG ASP A 72 1.023 7.959 0.708 1.00 0.00 C ATOM 1007 OD1 ASP A 72 0.369 8.858 0.159 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.099 8.163 1.390 1.00 0.00 O ATOM 0 H ASP A 72 -0.972 4.514 0.900 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.261 7.160 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.402 6.121 1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.408 5.912 0.200 1.00 0.00 H new ATOM 1013 N VAL A 73 0.077 4.547 -1.773 1.00 0.00 N ATOM 1014 CA VAL A 73 0.520 4.011 -3.049 1.00 0.00 C ATOM 1015 C VAL A 73 -0.675 3.913 -3.999 1.00 0.00 C ATOM 1016 O VAL A 73 -0.502 3.701 -5.198 1.00 0.00 O ATOM 1017 CB VAL A 73 1.226 2.670 -2.836 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.811 2.145 -4.148 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.308 2.785 -1.761 1.00 0.00 C ATOM 0 H VAL A 73 0.012 3.860 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 73 1.248 4.677 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 73 0.484 1.952 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.307 1.191 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.010 2.007 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.533 2.862 -4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.794 1.818 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.048 3.525 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.854 3.094 -0.819 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.860 4.075 -3.428 1.00 0.00 N ATOM 1030 CA VAL A 74 -3.082 4.007 -4.210 1.00 0.00 C ATOM 1031 C VAL A 74 -3.541 5.426 -4.555 1.00 0.00 C ATOM 1032 O VAL A 74 -3.679 5.768 -5.728 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.143 3.204 -3.454 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.483 3.235 -4.192 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.678 1.766 -3.220 1.00 0.00 C ATOM 0 H VAL A 74 -1.999 4.253 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.905 3.484 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.287 3.672 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.219 2.657 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.824 4.266 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.361 2.804 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.450 1.217 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.492 1.283 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.760 1.772 -2.633 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.763 6.212 -3.512 1.00 0.00 N ATOM 1046 CA ALA A 75 -4.203 7.585 -3.690 1.00 0.00 C ATOM 1047 C ALA A 75 -3.296 8.278 -4.710 1.00 0.00 C ATOM 1048 O ALA A 75 -3.773 8.803 -5.714 1.00 0.00 O ATOM 1049 CB ALA A 75 -4.210 8.299 -2.337 1.00 0.00 C ATOM 0 H ALA A 75 -3.646 5.924 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.221 7.614 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.540 9.329 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.890 7.785 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.204 8.292 -1.917 1.00 0.00 H new ATOM 1055 N TYR A 76 -2.004 8.257 -4.415 1.00 0.00 N ATOM 1056 CA TYR A 76 -1.027 8.876 -5.294 1.00 0.00 C ATOM 1057 C TYR A 76 -1.349 8.589 -6.762 1.00 0.00 C ATOM 1058 O TYR A 76 -0.986 9.365 -7.645 1.00 0.00 O ATOM 1059 CB TYR A 76 0.319 8.238 -4.946 1.00 0.00 C ATOM 1060 CG TYR A 76 1.109 8.996 -3.877 1.00 0.00 C ATOM 1061 CD1 TYR A 76 0.450 9.573 -2.811 1.00 0.00 C ATOM 1062 CD2 TYR A 76 2.482 9.102 -3.979 1.00 0.00 C ATOM 1063 CE1 TYR A 76 1.194 10.287 -1.805 1.00 0.00 C ATOM 1064 CE2 TYR A 76 3.225 9.815 -2.974 1.00 0.00 C ATOM 1065 CZ TYR A 76 2.545 10.373 -1.936 1.00 0.00 C ATOM 1066 OH TYR A 76 3.247 11.047 -0.987 1.00 0.00 O ATOM 0 H TYR A 76 -1.612 7.821 -3.580 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.024 9.958 -5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.148 7.218 -4.602 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.923 8.172 -5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.624 9.489 -2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.998 8.650 -4.813 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.690 10.744 -0.966 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.299 9.905 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 76 4.201 11.026 -1.209 1.00 0.00 H new ATOM 1075 N ILE A 77 -2.026 7.471 -6.978 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.401 7.072 -8.324 1.00 0.00 C ATOM 1077 C ILE A 77 -3.569 7.937 -8.802 1.00 0.00 C ATOM 1078 O ILE A 77 -3.425 8.716 -9.743 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.688 5.569 -8.377 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.596 4.777 -7.654 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.878 5.098 -9.819 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.616 3.307 -8.074 1.00 0.00 C ATOM 0 H ILE A 77 -2.325 6.829 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.575 7.241 -9.015 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.624 5.381 -7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.620 5.209 -7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.740 4.853 -6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.080 4.027 -9.828 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.717 5.630 -10.268 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.972 5.301 -10.390 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.830 2.767 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.584 2.871 -7.828 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.448 3.233 -9.148 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.700 7.772 -8.131 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.892 8.528 -8.475 1.00 0.00 C ATOM 1095 C GLN A 78 -5.855 9.906 -7.813 1.00 0.00 C ATOM 1096 O GLN A 78 -5.829 10.928 -8.498 1.00 0.00 O ATOM 1097 CB GLN A 78 -7.158 7.765 -8.083 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.388 6.570 -9.010 1.00 0.00 C ATOM 1099 CD GLN A 78 -8.872 6.205 -9.075 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -9.609 6.643 -9.944 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -9.269 5.379 -8.112 1.00 0.00 N ATOM 0 H GLN A 78 -4.816 7.125 -7.351 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.912 8.666 -9.556 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.074 7.419 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -8.018 8.434 -8.126 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.023 6.805 -10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.814 5.714 -8.655 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.601 5.049 -7.415 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.242 5.075 -8.070 1.00 0.00 H new ATOM 1108 N LYS A 79 -5.853 9.892 -6.488 1.00 0.00 N ATOM 1109 CA LYS A 79 -5.820 11.128 -5.726 1.00 0.00 C ATOM 1110 C LYS A 79 -4.952 12.152 -6.460 1.00 0.00 C ATOM 1111 O LYS A 79 -5.301 13.329 -6.534 1.00 0.00 O ATOM 1112 CB LYS A 79 -5.372 10.859 -4.288 1.00 0.00 C ATOM 1113 CG LYS A 79 -6.429 10.060 -3.524 1.00 0.00 C ATOM 1114 CD LYS A 79 -7.827 10.635 -3.757 1.00 0.00 C ATOM 1115 CE LYS A 79 -8.787 10.209 -2.644 1.00 0.00 C ATOM 1116 NZ LYS A 79 -9.624 9.073 -3.090 1.00 0.00 N ATOM 0 H LYS A 79 -5.874 9.043 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.820 11.555 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.430 10.310 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.187 11.805 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.403 9.018 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.200 10.073 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.774 11.723 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.208 10.296 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.222 9.926 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.423 11.049 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.270 8.796 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.177 9.356 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.014 8.268 -3.336 1.00 0.00 H new