USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 590 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 80 THR OG1 : rot -31:sc= 0.243 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 33 ASN : amide:sc= -2.42 K(o=-2.4,f=-13!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.496 USER MOD Single : A 65 HIS : no HE2:sc= -4.75! C(o=-4.7!,f=-5.7!) USER MOD Single : A 68 SER OG : rot -160:sc= -0.143 USER MOD Single : A 71 SER OG : rot -130:sc= -0.158 USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 3.514 -9.857 -4.767 1.00 0.00 N ATOM 64 CA HIS A 3 3.082 -9.030 -5.934 1.00 0.00 C ATOM 65 C HIS A 3 3.186 -7.545 -5.584 1.00 0.00 C ATOM 66 O HIS A 3 2.225 -6.808 -5.676 1.00 0.00 O ATOM 67 CB HIS A 3 1.635 -9.363 -6.309 1.00 0.00 C ATOM 68 CG HIS A 3 1.399 -10.839 -6.141 1.00 0.00 C ATOM 69 ND1 HIS A 3 1.905 -11.776 -7.031 1.00 0.00 N ATOM 70 CD2 HIS A 3 0.712 -11.556 -5.191 1.00 0.00 C ATOM 71 CE1 HIS A 3 1.520 -12.992 -6.602 1.00 0.00 C ATOM 72 NE2 HIS A 3 0.791 -12.912 -5.487 1.00 0.00 N ATOM 0 HA HIS A 3 3.732 -9.251 -6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.946 -8.800 -5.679 1.00 0.00 H new ATOM 0 HB3 HIS A 3 1.438 -9.068 -7.340 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.191 -11.132 -4.345 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.770 -13.918 -7.099 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.379 -13.683 -4.962 1.00 0.00 H new ATOM 81 N ALA A 4 4.346 -7.094 -5.186 1.00 0.00 N ATOM 82 CA ALA A 4 4.499 -5.653 -4.838 1.00 0.00 C ATOM 83 C ALA A 4 4.157 -4.799 -6.060 1.00 0.00 C ATOM 84 O ALA A 4 3.510 -3.774 -5.956 1.00 0.00 O ATOM 85 CB ALA A 4 5.944 -5.375 -4.419 1.00 0.00 C ATOM 0 H ALA A 4 5.190 -7.659 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 4 3.828 -5.407 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.053 -4.321 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.195 -5.985 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.615 -5.621 -5.242 1.00 0.00 H new ATOM 91 N SER A 5 4.586 -5.215 -7.222 1.00 0.00 N ATOM 92 CA SER A 5 4.287 -4.429 -8.451 1.00 0.00 C ATOM 93 C SER A 5 2.774 -4.348 -8.654 1.00 0.00 C ATOM 94 O SER A 5 2.245 -3.328 -9.043 1.00 0.00 O ATOM 95 CB SER A 5 4.926 -5.113 -9.660 1.00 0.00 C ATOM 96 OG SER A 5 6.315 -5.291 -9.419 1.00 0.00 O ATOM 0 H SER A 5 5.130 -6.065 -7.372 1.00 0.00 H new ATOM 0 HA SER A 5 4.692 -3.423 -8.344 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.450 -6.077 -9.841 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.775 -4.510 -10.555 1.00 0.00 H new ATOM 0 HG SER A 5 6.727 -5.731 -10.192 1.00 0.00 H new ATOM 102 N VAL A 6 2.072 -5.414 -8.388 1.00 0.00 N ATOM 103 CA VAL A 6 0.593 -5.394 -8.565 1.00 0.00 C ATOM 104 C VAL A 6 -0.015 -4.338 -7.645 1.00 0.00 C ATOM 105 O VAL A 6 -0.910 -3.609 -8.022 1.00 0.00 O ATOM 106 CB VAL A 6 0.017 -6.765 -8.221 1.00 0.00 C ATOM 107 CG1 VAL A 6 -1.510 -6.685 -8.183 1.00 0.00 C ATOM 108 CG2 VAL A 6 0.447 -7.780 -9.282 1.00 0.00 C ATOM 0 H VAL A 6 2.458 -6.298 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 6 0.355 -5.153 -9.601 1.00 0.00 H new ATOM 0 HB VAL A 6 0.388 -7.078 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.920 -7.665 -7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.818 -5.963 -7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.882 -6.370 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.036 -8.759 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.077 -7.465 -10.258 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.535 -7.840 -9.309 1.00 0.00 H new ATOM 118 N ILE A 7 0.469 -4.251 -6.438 1.00 0.00 N ATOM 119 CA ILE A 7 -0.073 -3.243 -5.488 1.00 0.00 C ATOM 120 C ILE A 7 0.119 -1.843 -6.073 1.00 0.00 C ATOM 121 O ILE A 7 -0.779 -1.022 -6.062 1.00 0.00 O ATOM 122 CB ILE A 7 0.680 -3.351 -4.163 1.00 0.00 C ATOM 123 CG1 ILE A 7 0.518 -4.767 -3.608 1.00 0.00 C ATOM 124 CG2 ILE A 7 0.110 -2.342 -3.165 1.00 0.00 C ATOM 125 CD1 ILE A 7 1.459 -4.966 -2.419 1.00 0.00 C ATOM 0 H ILE A 7 1.218 -4.836 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.135 -3.423 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 7 1.737 -3.138 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.514 -4.931 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.738 -5.500 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.648 -2.421 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.221 -1.334 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.947 -2.552 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.341 -5.976 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.490 -4.821 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.218 -4.243 -1.639 1.00 0.00 H new ATOM 137 N ALA A 8 1.285 -1.566 -6.592 1.00 0.00 N ATOM 138 CA ALA A 8 1.533 -0.223 -7.183 1.00 0.00 C ATOM 139 C ALA A 8 0.581 -0.011 -8.362 1.00 0.00 C ATOM 140 O ALA A 8 0.001 1.043 -8.523 1.00 0.00 O ATOM 141 CB ALA A 8 2.981 -0.144 -7.667 1.00 0.00 C ATOM 0 H ALA A 8 2.074 -2.211 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 8 1.361 0.550 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.167 0.839 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.655 -0.302 -6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.155 -0.912 -8.421 1.00 0.00 H new ATOM 147 N GLN A 9 0.407 -1.011 -9.181 1.00 0.00 N ATOM 148 CA GLN A 9 -0.520 -0.870 -10.337 1.00 0.00 C ATOM 149 C GLN A 9 -1.945 -0.676 -9.816 1.00 0.00 C ATOM 150 O GLN A 9 -2.750 0.010 -10.412 1.00 0.00 O ATOM 151 CB GLN A 9 -0.460 -2.132 -11.202 1.00 0.00 C ATOM 152 CG GLN A 9 0.931 -2.260 -11.825 1.00 0.00 C ATOM 153 CD GLN A 9 0.959 -3.462 -12.772 1.00 0.00 C ATOM 154 OE1 GLN A 9 -0.108 -4.203 -12.897 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 1.961 -3.727 -13.405 1.00 0.00 N flip ATOM 0 H GLN A 9 0.866 -1.918 -9.099 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.227 -0.009 -10.937 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.681 -3.011 -10.597 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.217 -2.085 -11.985 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.182 -1.349 -12.369 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.681 -2.382 -11.044 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.795 -3.147 -13.307 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.969 -4.529 -14.035 1.00 0.00 H new ATOM 164 N PHE A 10 -2.262 -1.289 -8.709 1.00 0.00 N ATOM 165 CA PHE A 10 -3.635 -1.158 -8.143 1.00 0.00 C ATOM 166 C PHE A 10 -3.938 0.305 -7.825 1.00 0.00 C ATOM 167 O PHE A 10 -4.963 0.831 -8.210 1.00 0.00 O ATOM 168 CB PHE A 10 -3.729 -1.978 -6.856 1.00 0.00 C ATOM 169 CG PHE A 10 -4.735 -3.090 -7.023 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.096 -2.791 -7.149 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.307 -4.423 -7.040 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.030 -3.823 -7.294 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.241 -5.456 -7.182 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.602 -5.157 -7.309 1.00 0.00 C ATOM 0 H PHE A 10 -1.627 -1.877 -8.170 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.356 -1.522 -8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.753 -2.394 -6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.021 -1.335 -6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.426 -1.763 -7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.256 -4.654 -6.944 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.080 -3.591 -7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.911 -6.484 -7.194 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.322 -5.954 -7.419 1.00 0.00 H new ATOM 184 N VAL A 11 -3.064 0.967 -7.124 1.00 0.00 N ATOM 185 CA VAL A 11 -3.325 2.392 -6.788 1.00 0.00 C ATOM 186 C VAL A 11 -3.357 3.218 -8.075 1.00 0.00 C ATOM 187 O VAL A 11 -4.170 4.107 -8.231 1.00 0.00 O ATOM 188 CB VAL A 11 -2.228 2.912 -5.856 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.393 2.279 -4.473 1.00 0.00 C ATOM 190 CG2 VAL A 11 -0.851 2.547 -6.414 1.00 0.00 C ATOM 0 H VAL A 11 -2.186 0.587 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.287 2.479 -6.282 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.310 3.996 -5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.612 2.649 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.370 2.542 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.315 1.195 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.076 2.921 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.767 1.463 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.727 2.996 -7.399 1.00 0.00 H new ATOM 200 N VAL A 12 -2.487 2.929 -9.002 1.00 0.00 N ATOM 201 CA VAL A 12 -2.480 3.697 -10.277 1.00 0.00 C ATOM 202 C VAL A 12 -3.794 3.463 -11.027 1.00 0.00 C ATOM 203 O VAL A 12 -4.406 4.386 -11.528 1.00 0.00 O ATOM 204 CB VAL A 12 -1.312 3.234 -11.143 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.413 3.881 -12.526 1.00 0.00 C ATOM 206 CG2 VAL A 12 0.006 3.646 -10.484 1.00 0.00 C ATOM 0 H VAL A 12 -1.782 2.195 -8.932 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.373 4.759 -10.058 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.345 2.149 -11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.579 3.550 -13.144 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.352 3.589 -12.997 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.381 4.966 -12.423 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.841 3.316 -11.102 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.038 4.731 -10.381 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.080 3.186 -9.499 1.00 0.00 H new ATOM 216 N GLU A 13 -4.233 2.235 -11.112 1.00 0.00 N ATOM 217 CA GLU A 13 -5.503 1.946 -11.832 1.00 0.00 C ATOM 218 C GLU A 13 -6.692 2.500 -11.049 1.00 0.00 C ATOM 219 O GLU A 13 -7.675 2.935 -11.616 1.00 0.00 O ATOM 220 CB GLU A 13 -5.656 0.435 -11.993 1.00 0.00 C ATOM 221 CG GLU A 13 -4.586 -0.088 -12.948 1.00 0.00 C ATOM 222 CD GLU A 13 -4.774 -1.592 -13.154 1.00 0.00 C ATOM 223 OE1 GLU A 13 -5.583 -2.170 -12.446 1.00 0.00 O ATOM 224 OE2 GLU A 13 -4.106 -2.141 -14.014 1.00 0.00 O ATOM 0 H GLU A 13 -3.765 1.421 -10.713 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.475 2.422 -12.812 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.564 -0.055 -11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.648 0.198 -12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.652 0.431 -13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.594 0.113 -12.544 1.00 0.00 H new ATOM 231 N GLU A 14 -6.617 2.474 -9.749 1.00 0.00 N ATOM 232 CA GLU A 14 -7.748 2.983 -8.925 1.00 0.00 C ATOM 233 C GLU A 14 -7.927 4.489 -9.134 1.00 0.00 C ATOM 234 O GLU A 14 -9.027 5.001 -9.056 1.00 0.00 O ATOM 235 CB GLU A 14 -7.464 2.706 -7.448 1.00 0.00 C ATOM 236 CG GLU A 14 -8.692 3.072 -6.612 1.00 0.00 C ATOM 237 CD GLU A 14 -8.368 2.897 -5.128 1.00 0.00 C ATOM 238 OE1 GLU A 14 -7.244 2.534 -4.825 1.00 0.00 O ATOM 239 OE2 GLU A 14 -9.250 3.130 -4.317 1.00 0.00 O ATOM 0 H GLU A 14 -5.820 2.121 -9.220 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.663 2.474 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.215 1.654 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.601 3.285 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.988 4.102 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.535 2.439 -6.888 1.00 0.00 H new ATOM 246 N PHE A 15 -6.859 5.207 -9.371 1.00 0.00 N ATOM 247 CA PHE A 15 -6.981 6.686 -9.553 1.00 0.00 C ATOM 248 C PHE A 15 -6.517 7.116 -10.948 1.00 0.00 C ATOM 249 O PHE A 15 -7.233 7.797 -11.655 1.00 0.00 O ATOM 250 CB PHE A 15 -6.123 7.393 -8.502 1.00 0.00 C ATOM 251 CG PHE A 15 -6.670 7.097 -7.125 1.00 0.00 C ATOM 252 CD1 PHE A 15 -7.716 7.869 -6.608 1.00 0.00 C ATOM 253 CD2 PHE A 15 -6.129 6.051 -6.367 1.00 0.00 C ATOM 254 CE1 PHE A 15 -8.222 7.595 -5.331 1.00 0.00 C ATOM 255 CE2 PHE A 15 -6.635 5.778 -5.091 1.00 0.00 C ATOM 256 CZ PHE A 15 -7.682 6.550 -4.573 1.00 0.00 C ATOM 0 H PHE A 15 -5.912 4.836 -9.446 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.030 6.959 -9.440 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.089 7.056 -8.575 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.121 8.468 -8.681 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.133 8.675 -7.193 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.322 5.455 -6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.029 8.191 -4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.218 4.972 -4.506 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.073 6.339 -3.589 1.00 0.00 H new ATOM 266 N LEU A 16 -5.322 6.757 -11.340 1.00 0.00 N ATOM 267 CA LEU A 16 -4.817 7.188 -12.677 1.00 0.00 C ATOM 268 C LEU A 16 -4.505 5.979 -13.563 1.00 0.00 C ATOM 269 O LEU A 16 -3.362 5.595 -13.712 1.00 0.00 O ATOM 270 CB LEU A 16 -3.537 7.997 -12.476 1.00 0.00 C ATOM 271 CG LEU A 16 -3.880 9.486 -12.398 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.653 10.269 -11.925 1.00 0.00 C ATOM 273 CD2 LEU A 16 -4.302 9.990 -13.780 1.00 0.00 C ATOM 0 H LEU A 16 -4.676 6.186 -10.794 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.585 7.787 -13.167 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.034 7.681 -11.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.846 7.815 -13.299 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.699 9.630 -11.694 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.897 11.330 -11.870 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.352 9.914 -10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.834 10.122 -12.629 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.546 11.051 -13.722 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.484 9.844 -14.486 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.177 9.435 -14.118 1.00 0.00 H new ATOM 285 N PRO A 17 -5.508 5.394 -14.168 1.00 0.00 N ATOM 286 CA PRO A 17 -5.319 4.226 -15.074 1.00 0.00 C ATOM 287 C PRO A 17 -4.739 4.635 -16.432 1.00 0.00 C ATOM 288 O PRO A 17 -4.249 3.814 -17.181 1.00 0.00 O ATOM 289 CB PRO A 17 -6.728 3.655 -15.240 1.00 0.00 C ATOM 290 CG PRO A 17 -7.663 4.786 -14.957 1.00 0.00 C ATOM 291 CD PRO A 17 -6.927 5.776 -14.052 1.00 0.00 C ATOM 0 HA PRO A 17 -4.609 3.508 -14.664 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.877 3.268 -16.248 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.897 2.826 -14.552 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.971 5.270 -15.884 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.568 4.422 -14.471 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.089 6.805 -14.374 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.274 5.706 -13.021 1.00 0.00 H new ATOM 299 N ASP A 18 -4.794 5.899 -16.756 1.00 0.00 N ATOM 300 CA ASP A 18 -4.252 6.361 -18.061 1.00 0.00 C ATOM 301 C ASP A 18 -2.780 6.759 -17.903 1.00 0.00 C ATOM 302 O ASP A 18 -2.166 7.266 -18.821 1.00 0.00 O ATOM 303 CB ASP A 18 -5.056 7.567 -18.536 1.00 0.00 C ATOM 304 CG ASP A 18 -6.478 7.128 -18.889 1.00 0.00 C ATOM 305 OD1 ASP A 18 -6.706 5.932 -18.962 1.00 0.00 O ATOM 306 OD2 ASP A 18 -7.315 7.995 -19.079 1.00 0.00 O ATOM 0 H ASP A 18 -5.193 6.632 -16.169 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.327 5.555 -18.791 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.083 8.329 -17.757 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.577 8.017 -19.406 1.00 0.00 H new ATOM 311 N VAL A 19 -2.215 6.535 -16.746 1.00 0.00 N ATOM 312 CA VAL A 19 -0.785 6.902 -16.525 1.00 0.00 C ATOM 313 C VAL A 19 0.046 5.630 -16.340 1.00 0.00 C ATOM 314 O VAL A 19 -0.365 4.700 -15.676 1.00 0.00 O ATOM 315 CB VAL A 19 -0.670 7.772 -15.273 1.00 0.00 C ATOM 316 CG1 VAL A 19 0.779 8.228 -15.099 1.00 0.00 C ATOM 317 CG2 VAL A 19 -1.573 8.998 -15.422 1.00 0.00 C ATOM 0 H VAL A 19 -2.682 6.113 -15.944 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.415 7.456 -17.388 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.977 7.195 -14.401 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.861 8.848 -14.206 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.425 7.356 -14.995 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.086 8.805 -15.971 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.493 9.620 -14.530 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.264 9.573 -16.295 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.607 8.676 -15.547 1.00 0.00 H new ATOM 327 N ALA A 20 1.211 5.581 -16.927 1.00 0.00 N ATOM 328 CA ALA A 20 2.064 4.368 -16.787 1.00 0.00 C ATOM 329 C ALA A 20 2.600 4.281 -15.346 1.00 0.00 C ATOM 330 O ALA A 20 3.335 5.146 -14.913 1.00 0.00 O ATOM 331 CB ALA A 20 3.247 4.475 -17.753 1.00 0.00 C ATOM 0 H ALA A 20 1.608 6.328 -17.497 1.00 0.00 H new ATOM 0 HA ALA A 20 1.475 3.479 -17.013 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.877 3.590 -17.657 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.876 4.547 -18.776 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.831 5.364 -17.516 1.00 0.00 H new ATOM 337 N PRO A 21 2.253 3.251 -14.602 1.00 0.00 N ATOM 338 CA PRO A 21 2.739 3.088 -13.199 1.00 0.00 C ATOM 339 C PRO A 21 4.263 3.207 -13.096 1.00 0.00 C ATOM 340 O PRO A 21 4.800 3.562 -12.066 1.00 0.00 O ATOM 341 CB PRO A 21 2.302 1.675 -12.807 1.00 0.00 C ATOM 342 CG PRO A 21 1.184 1.317 -13.729 1.00 0.00 C ATOM 343 CD PRO A 21 1.363 2.145 -15.001 1.00 0.00 C ATOM 0 HA PRO A 21 2.334 3.865 -12.550 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.128 0.971 -12.904 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.976 1.642 -11.768 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.201 0.252 -13.958 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.220 1.528 -13.265 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.803 1.551 -15.802 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.407 2.518 -15.369 1.00 0.00 H new ATOM 351 N ALA A 22 4.962 2.905 -14.155 1.00 0.00 N ATOM 352 CA ALA A 22 6.450 2.994 -14.120 1.00 0.00 C ATOM 353 C ALA A 22 6.878 4.449 -13.916 1.00 0.00 C ATOM 354 O ALA A 22 7.965 4.726 -13.450 1.00 0.00 O ATOM 355 CB ALA A 22 7.022 2.474 -15.440 1.00 0.00 C ATOM 0 H ALA A 22 4.567 2.600 -15.045 1.00 0.00 H new ATOM 0 HA ALA A 22 6.827 2.390 -13.295 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.110 2.539 -15.416 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.723 1.435 -15.582 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.641 3.077 -16.264 1.00 0.00 H new ATOM 361 N ASP A 23 6.037 5.382 -14.271 1.00 0.00 N ATOM 362 CA ASP A 23 6.406 6.817 -14.107 1.00 0.00 C ATOM 363 C ASP A 23 6.069 7.286 -12.688 1.00 0.00 C ATOM 364 O ASP A 23 6.163 8.457 -12.378 1.00 0.00 O ATOM 365 CB ASP A 23 5.638 7.662 -15.126 1.00 0.00 C ATOM 366 CG ASP A 23 4.136 7.580 -14.844 1.00 0.00 C ATOM 367 OD1 ASP A 23 3.776 7.110 -13.777 1.00 0.00 O ATOM 368 OD2 ASP A 23 3.370 7.990 -15.700 1.00 0.00 O ATOM 0 H ASP A 23 5.112 5.213 -14.667 1.00 0.00 H new ATOM 0 HA ASP A 23 7.477 6.932 -14.273 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.970 8.699 -15.076 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.847 7.309 -16.136 1.00 0.00 H new ATOM 373 N VAL A 24 5.681 6.386 -11.822 1.00 0.00 N ATOM 374 CA VAL A 24 5.343 6.794 -10.426 1.00 0.00 C ATOM 375 C VAL A 24 6.438 6.310 -9.479 1.00 0.00 C ATOM 376 O VAL A 24 6.814 5.155 -9.492 1.00 0.00 O ATOM 377 CB VAL A 24 4.023 6.151 -10.006 1.00 0.00 C ATOM 378 CG1 VAL A 24 3.535 6.792 -8.706 1.00 0.00 C ATOM 379 CG2 VAL A 24 2.978 6.358 -11.105 1.00 0.00 C ATOM 0 H VAL A 24 5.584 5.390 -12.020 1.00 0.00 H new ATOM 0 HA VAL A 24 5.258 7.880 -10.384 1.00 0.00 H new ATOM 0 HB VAL A 24 4.174 5.083 -9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.593 6.334 -8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.278 6.639 -7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.385 7.861 -8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.037 5.898 -10.803 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.826 7.425 -11.266 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.326 5.898 -12.030 1.00 0.00 H new ATOM 389 N ASP A 25 6.943 7.174 -8.646 1.00 0.00 N ATOM 390 CA ASP A 25 8.000 6.742 -7.695 1.00 0.00 C ATOM 391 C ASP A 25 7.342 6.247 -6.407 1.00 0.00 C ATOM 392 O ASP A 25 6.641 6.981 -5.738 1.00 0.00 O ATOM 393 CB ASP A 25 8.915 7.926 -7.375 1.00 0.00 C ATOM 394 CG ASP A 25 9.672 8.342 -8.638 1.00 0.00 C ATOM 395 OD1 ASP A 25 9.661 7.580 -9.589 1.00 0.00 O ATOM 396 OD2 ASP A 25 10.250 9.417 -8.630 1.00 0.00 O ATOM 0 H ASP A 25 6.671 8.155 -8.583 1.00 0.00 H new ATOM 0 HA ASP A 25 8.589 5.940 -8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.326 8.763 -6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.619 7.653 -6.589 1.00 0.00 H new ATOM 401 N VAL A 26 7.566 5.015 -6.045 1.00 0.00 N ATOM 402 CA VAL A 26 6.958 4.492 -4.794 1.00 0.00 C ATOM 403 C VAL A 26 7.764 5.003 -3.599 1.00 0.00 C ATOM 404 O VAL A 26 7.503 4.657 -2.464 1.00 0.00 O ATOM 405 CB VAL A 26 6.991 2.964 -4.818 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.411 2.461 -6.141 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.437 2.483 -4.678 1.00 0.00 C ATOM 0 H VAL A 26 8.143 4.350 -6.561 1.00 0.00 H new ATOM 0 HA VAL A 26 5.925 4.830 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 26 6.397 2.575 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.435 1.371 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.381 2.803 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.004 2.850 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.461 1.393 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.032 2.872 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.850 2.840 -3.735 1.00 0.00 H new ATOM 417 N ASP A 27 8.737 5.839 -3.849 1.00 0.00 N ATOM 418 CA ASP A 27 9.556 6.389 -2.739 1.00 0.00 C ATOM 419 C ASP A 27 8.895 7.665 -2.216 1.00 0.00 C ATOM 420 O ASP A 27 9.265 8.195 -1.188 1.00 0.00 O ATOM 421 CB ASP A 27 10.956 6.715 -3.261 1.00 0.00 C ATOM 422 CG ASP A 27 11.679 5.418 -3.628 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.186 4.363 -3.263 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.714 5.500 -4.269 1.00 0.00 O ATOM 0 H ASP A 27 8.998 6.164 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 27 9.630 5.658 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.888 7.365 -4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.521 7.257 -2.503 1.00 0.00 H new ATOM 429 N LEU A 28 7.915 8.156 -2.923 1.00 0.00 N ATOM 430 CA LEU A 28 7.216 9.395 -2.480 1.00 0.00 C ATOM 431 C LEU A 28 5.982 9.009 -1.671 1.00 0.00 C ATOM 432 O LEU A 28 5.291 8.060 -1.990 1.00 0.00 O ATOM 433 CB LEU A 28 6.795 10.208 -3.703 1.00 0.00 C ATOM 434 CG LEU A 28 6.163 11.528 -3.251 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.227 12.417 -2.602 1.00 0.00 C ATOM 436 CD2 LEU A 28 5.572 12.249 -4.465 1.00 0.00 C ATOM 0 H LEU A 28 7.567 7.751 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 28 7.885 9.995 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.660 10.406 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.084 9.640 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 28 5.376 11.321 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.772 13.355 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.650 11.906 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.017 12.625 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.121 13.189 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.362 12.452 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.811 11.620 -4.927 1.00 0.00 H new ATOM 448 N ASP A 29 5.700 9.724 -0.620 1.00 0.00 N ATOM 449 CA ASP A 29 4.515 9.377 0.208 1.00 0.00 C ATOM 450 C ASP A 29 3.252 9.436 -0.659 1.00 0.00 C ATOM 451 O ASP A 29 3.115 10.281 -1.522 1.00 0.00 O ATOM 452 CB ASP A 29 4.397 10.361 1.370 1.00 0.00 C ATOM 453 CG ASP A 29 5.610 10.213 2.291 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.308 9.220 2.163 1.00 0.00 O ATOM 455 OD2 ASP A 29 5.821 11.095 3.106 1.00 0.00 O ATOM 0 H ASP A 29 6.236 10.530 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 29 4.629 8.369 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.337 11.381 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.479 10.173 1.927 1.00 0.00 H new ATOM 460 N LEU A 30 2.337 8.530 -0.442 1.00 0.00 N ATOM 461 CA LEU A 30 1.085 8.505 -1.252 1.00 0.00 C ATOM 462 C LEU A 30 0.160 9.651 -0.837 1.00 0.00 C ATOM 463 O LEU A 30 -0.516 10.244 -1.653 1.00 0.00 O ATOM 464 CB LEU A 30 0.370 7.167 -1.030 1.00 0.00 C ATOM 465 CG LEU A 30 -0.769 7.019 -2.040 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.194 6.939 -3.455 1.00 0.00 C ATOM 467 CD2 LEU A 30 -1.555 5.738 -1.743 1.00 0.00 C ATOM 0 H LEU A 30 2.404 7.800 0.268 1.00 0.00 H new ATOM 0 HA LEU A 30 1.339 8.622 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.076 6.344 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.023 7.117 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.431 7.882 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.007 6.834 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.366 7.849 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.470 6.078 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.366 5.634 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.890 4.878 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.969 5.790 -0.736 1.00 0.00 H new ATOM 479 N VAL A 31 0.108 9.950 0.428 1.00 0.00 N ATOM 480 CA VAL A 31 -0.786 11.038 0.907 1.00 0.00 C ATOM 481 C VAL A 31 -0.308 12.391 0.382 1.00 0.00 C ATOM 482 O VAL A 31 -1.090 13.209 -0.059 1.00 0.00 O ATOM 483 CB VAL A 31 -0.758 11.052 2.427 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.247 9.704 2.953 1.00 0.00 C ATOM 485 CG2 VAL A 31 0.675 11.297 2.896 1.00 0.00 C ATOM 0 H VAL A 31 0.650 9.485 1.156 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.798 10.861 0.544 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.406 11.843 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.228 9.710 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.266 9.527 2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.596 8.911 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.704 11.309 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.321 10.501 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.024 12.256 2.513 1.00 0.00 H new ATOM 495 N ASP A 32 0.969 12.631 0.420 1.00 0.00 N ATOM 496 CA ASP A 32 1.494 13.930 -0.083 1.00 0.00 C ATOM 497 C ASP A 32 0.990 14.134 -1.508 1.00 0.00 C ATOM 498 O ASP A 32 0.732 15.240 -1.941 1.00 0.00 O ATOM 499 CB ASP A 32 3.024 13.904 -0.077 1.00 0.00 C ATOM 500 CG ASP A 32 3.529 13.873 1.366 1.00 0.00 C ATOM 501 OD1 ASP A 32 2.726 14.090 2.259 1.00 0.00 O ATOM 502 OD2 ASP A 32 4.710 13.632 1.555 1.00 0.00 O ATOM 0 H ASP A 32 1.673 11.986 0.777 1.00 0.00 H new ATOM 0 HA ASP A 32 1.153 14.745 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.385 13.030 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.415 14.782 -0.591 1.00 0.00 H new ATOM 507 N ASN A 33 0.848 13.066 -2.237 1.00 0.00 N ATOM 508 CA ASN A 33 0.360 13.166 -3.638 1.00 0.00 C ATOM 509 C ASN A 33 -1.121 13.551 -3.650 1.00 0.00 C ATOM 510 O ASN A 33 -1.582 14.253 -4.528 1.00 0.00 O ATOM 511 CB ASN A 33 0.539 11.812 -4.317 1.00 0.00 C ATOM 512 CG ASN A 33 2.030 11.524 -4.502 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.847 12.418 -4.421 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.419 10.302 -4.749 1.00 0.00 N ATOM 0 H ASN A 33 1.051 12.118 -1.919 1.00 0.00 H new ATOM 0 HA ASN A 33 0.927 13.930 -4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.079 11.028 -3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.035 11.809 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.411 10.098 -4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.731 9.552 -4.817 1.00 0.00 H new ATOM 521 N GLY A 34 -1.873 13.095 -2.686 1.00 0.00 N ATOM 522 CA GLY A 34 -3.327 13.432 -2.651 1.00 0.00 C ATOM 523 C GLY A 34 -4.100 12.405 -3.475 1.00 0.00 C ATOM 524 O GLY A 34 -5.288 12.537 -3.697 1.00 0.00 O ATOM 0 H GLY A 34 -1.545 12.504 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.687 13.436 -1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.490 14.433 -3.050 1.00 0.00 H new ATOM 528 N VAL A 35 -3.435 11.379 -3.922 1.00 0.00 N ATOM 529 CA VAL A 35 -4.126 10.334 -4.724 1.00 0.00 C ATOM 530 C VAL A 35 -5.215 9.695 -3.865 1.00 0.00 C ATOM 531 O VAL A 35 -6.199 9.188 -4.365 1.00 0.00 O ATOM 532 CB VAL A 35 -3.118 9.266 -5.152 1.00 0.00 C ATOM 533 CG1 VAL A 35 -3.855 8.109 -5.828 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.117 9.876 -6.137 1.00 0.00 C ATOM 0 H VAL A 35 -2.440 11.218 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.570 10.782 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.588 8.896 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.136 7.348 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.569 7.674 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.386 8.479 -6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.398 9.116 -6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.649 10.246 -7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.591 10.701 -5.657 1.00 0.00 H new ATOM 544 N ILE A 36 -5.038 9.708 -2.572 1.00 0.00 N ATOM 545 CA ILE A 36 -6.052 9.093 -1.675 1.00 0.00 C ATOM 546 C ILE A 36 -7.055 10.153 -1.218 1.00 0.00 C ATOM 547 O ILE A 36 -6.697 11.162 -0.644 1.00 0.00 O ATOM 548 CB ILE A 36 -5.351 8.513 -0.449 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.283 7.522 -0.900 1.00 0.00 C ATOM 550 CG2 ILE A 36 -6.365 7.784 0.423 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.399 7.134 0.287 1.00 0.00 C ATOM 0 H ILE A 36 -4.233 10.119 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.578 8.306 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.892 9.322 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.753 6.633 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.674 7.964 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.862 7.371 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.137 8.483 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.822 6.976 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.638 6.426 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.916 8.025 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.012 6.674 1.062 1.00 0.00 H new ATOM 563 N ASP A 37 -8.312 9.915 -1.461 1.00 0.00 N ATOM 564 CA ASP A 37 -9.363 10.875 -1.044 1.00 0.00 C ATOM 565 C ASP A 37 -10.256 10.200 -0.004 1.00 0.00 C ATOM 566 O ASP A 37 -9.999 9.089 0.416 1.00 0.00 O ATOM 567 CB ASP A 37 -10.197 11.260 -2.263 1.00 0.00 C ATOM 568 CG ASP A 37 -9.348 12.096 -3.223 1.00 0.00 C ATOM 569 OD1 ASP A 37 -8.271 12.508 -2.824 1.00 0.00 O ATOM 570 OD2 ASP A 37 -9.789 12.309 -4.340 1.00 0.00 O ATOM 0 H ASP A 37 -8.658 9.083 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.911 11.770 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.558 10.363 -2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -11.075 11.826 -1.951 1.00 0.00 H new ATOM 575 N ALA A 38 -11.305 10.850 0.413 1.00 0.00 N ATOM 576 CA ALA A 38 -12.205 10.221 1.420 1.00 0.00 C ATOM 577 C ALA A 38 -12.781 8.942 0.820 1.00 0.00 C ATOM 578 O ALA A 38 -12.660 7.866 1.376 1.00 0.00 O ATOM 579 CB ALA A 38 -13.342 11.184 1.766 1.00 0.00 C ATOM 0 H ALA A 38 -11.578 11.783 0.104 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.648 9.991 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.999 10.722 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.927 12.104 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.911 11.413 0.865 1.00 0.00 H new ATOM 585 N LEU A 39 -13.370 9.047 -0.335 1.00 0.00 N ATOM 586 CA LEU A 39 -13.915 7.840 -1.001 1.00 0.00 C ATOM 587 C LEU A 39 -12.732 7.003 -1.460 1.00 0.00 C ATOM 588 O LEU A 39 -12.775 5.789 -1.482 1.00 0.00 O ATOM 589 CB LEU A 39 -14.762 8.247 -2.207 1.00 0.00 C ATOM 590 CG LEU A 39 -16.049 8.918 -1.728 1.00 0.00 C ATOM 591 CD1 LEU A 39 -15.730 10.288 -1.124 1.00 0.00 C ATOM 592 CD2 LEU A 39 -17.001 9.094 -2.914 1.00 0.00 C ATOM 0 H LEU A 39 -13.497 9.920 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.547 7.274 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.200 8.929 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.000 7.370 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.518 8.293 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.652 10.760 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.054 10.164 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.257 10.917 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.920 9.572 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.526 9.716 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.236 8.119 -3.340 1.00 0.00 H new ATOM 604 N GLY A 40 -11.664 7.661 -1.816 1.00 0.00 N ATOM 605 CA GLY A 40 -10.454 6.935 -2.270 1.00 0.00 C ATOM 606 C GLY A 40 -9.982 6.008 -1.153 1.00 0.00 C ATOM 607 O GLY A 40 -9.642 4.865 -1.382 1.00 0.00 O ATOM 0 H GLY A 40 -11.581 8.678 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.675 6.359 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.666 7.642 -2.530 1.00 0.00 H new ATOM 611 N LEU A 41 -9.972 6.491 0.057 1.00 0.00 N ATOM 612 CA LEU A 41 -9.539 5.640 1.194 1.00 0.00 C ATOM 613 C LEU A 41 -10.530 4.491 1.366 1.00 0.00 C ATOM 614 O LEU A 41 -10.154 3.357 1.593 1.00 0.00 O ATOM 615 CB LEU A 41 -9.506 6.493 2.463 1.00 0.00 C ATOM 616 CG LEU A 41 -8.972 5.664 3.629 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.060 6.535 4.492 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.147 5.166 4.474 1.00 0.00 C ATOM 0 H LEU A 41 -10.246 7.441 0.306 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.547 5.231 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.875 7.368 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.507 6.858 2.693 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.409 4.812 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.677 5.946 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.226 6.897 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.625 7.384 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.770 4.574 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.706 6.019 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.803 4.550 3.858 1.00 0.00 H new ATOM 630 N LEU A 42 -11.799 4.775 1.255 1.00 0.00 N ATOM 631 CA LEU A 42 -12.818 3.699 1.409 1.00 0.00 C ATOM 632 C LEU A 42 -12.584 2.623 0.350 1.00 0.00 C ATOM 633 O LEU A 42 -12.598 1.442 0.632 1.00 0.00 O ATOM 634 CB LEU A 42 -14.210 4.309 1.209 1.00 0.00 C ATOM 635 CG LEU A 42 -15.287 3.228 1.342 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.843 3.228 2.766 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.415 3.517 0.349 1.00 0.00 C ATOM 0 H LEU A 42 -12.174 5.704 1.065 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.742 3.254 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.380 5.094 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.272 4.775 0.226 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.853 2.251 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.609 2.458 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.037 3.024 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.280 4.202 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.185 2.750 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.848 4.494 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -16.016 3.513 -0.666 1.00 0.00 H new ATOM 649 N LYS A 43 -12.376 3.026 -0.865 1.00 0.00 N ATOM 650 CA LYS A 43 -12.148 2.038 -1.949 1.00 0.00 C ATOM 651 C LYS A 43 -10.891 1.218 -1.649 1.00 0.00 C ATOM 652 O LYS A 43 -10.816 0.045 -1.954 1.00 0.00 O ATOM 653 CB LYS A 43 -11.967 2.772 -3.275 1.00 0.00 C ATOM 654 CG LYS A 43 -13.280 3.448 -3.677 1.00 0.00 C ATOM 655 CD LYS A 43 -13.121 4.088 -5.058 1.00 0.00 C ATOM 656 CE LYS A 43 -14.387 4.870 -5.409 1.00 0.00 C ATOM 657 NZ LYS A 43 -14.087 5.834 -6.505 1.00 0.00 N ATOM 0 H LYS A 43 -12.354 4.003 -1.157 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.007 1.370 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.177 3.517 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.656 2.071 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.088 2.717 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.551 4.206 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.257 4.753 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.937 3.318 -5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.176 4.185 -5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.753 5.403 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.948 6.366 -6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.347 6.495 -6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.757 5.315 -7.343 1.00 0.00 H new ATOM 671 N VAL A 44 -9.897 1.832 -1.068 1.00 0.00 N ATOM 672 CA VAL A 44 -8.640 1.094 -0.764 1.00 0.00 C ATOM 673 C VAL A 44 -8.920 -0.059 0.201 1.00 0.00 C ATOM 674 O VAL A 44 -8.528 -1.186 -0.031 1.00 0.00 O ATOM 675 CB VAL A 44 -7.636 2.056 -0.129 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.450 1.265 0.427 1.00 0.00 C ATOM 677 CG2 VAL A 44 -7.137 3.041 -1.187 1.00 0.00 C ATOM 0 H VAL A 44 -9.902 2.814 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.233 0.686 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.120 2.602 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.735 1.952 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.803 0.561 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.966 0.718 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.421 3.728 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.654 2.493 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.980 3.606 -1.585 1.00 0.00 H new ATOM 687 N ILE A 45 -9.586 0.215 1.285 1.00 0.00 N ATOM 688 CA ILE A 45 -9.886 -0.856 2.270 1.00 0.00 C ATOM 689 C ILE A 45 -10.893 -1.864 1.703 1.00 0.00 C ATOM 690 O ILE A 45 -10.849 -3.033 2.022 1.00 0.00 O ATOM 691 CB ILE A 45 -10.468 -0.219 3.534 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.372 0.538 4.298 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.044 -1.311 4.428 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.224 1.949 3.727 1.00 0.00 C ATOM 0 H ILE A 45 -9.937 1.140 1.532 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.962 -1.387 2.499 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.253 0.482 3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.623 0.589 5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.426 0.003 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.460 -0.861 5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.830 -1.843 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.255 -2.011 4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.445 2.482 4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.953 1.888 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.169 2.483 3.828 1.00 0.00 H new ATOM 706 N ALA A 46 -11.822 -1.421 0.900 1.00 0.00 N ATOM 707 CA ALA A 46 -12.854 -2.360 0.360 1.00 0.00 C ATOM 708 C ALA A 46 -12.248 -3.385 -0.609 1.00 0.00 C ATOM 709 O ALA A 46 -12.486 -4.573 -0.493 1.00 0.00 O ATOM 710 CB ALA A 46 -13.918 -1.550 -0.380 1.00 0.00 C ATOM 0 H ALA A 46 -11.913 -0.452 0.594 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.286 -2.905 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.676 -2.224 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.384 -0.846 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.453 -1.002 -1.199 1.00 0.00 H new ATOM 716 N TRP A 47 -11.483 -2.951 -1.572 1.00 0.00 N ATOM 717 CA TRP A 47 -10.901 -3.928 -2.538 1.00 0.00 C ATOM 718 C TRP A 47 -9.676 -4.602 -1.926 1.00 0.00 C ATOM 719 O TRP A 47 -9.486 -5.796 -2.047 1.00 0.00 O ATOM 720 CB TRP A 47 -10.492 -3.204 -3.823 1.00 0.00 C ATOM 721 CG TRP A 47 -9.031 -3.413 -4.068 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.457 -4.583 -4.437 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.952 -2.444 -3.968 1.00 0.00 C ATOM 724 NE1 TRP A 47 -7.091 -4.392 -4.555 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.733 -3.088 -4.278 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.919 -1.082 -3.638 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.518 -2.400 -4.259 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.701 -0.384 -3.618 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.502 -1.042 -3.927 1.00 0.00 C ATOM 0 H TRP A 47 -11.237 -1.974 -1.732 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.651 -4.685 -2.768 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -11.071 -3.581 -4.666 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.709 -2.139 -3.738 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.979 -5.512 -4.611 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.430 -5.125 -4.815 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.837 -0.566 -3.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.598 -2.913 -4.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.688 0.665 -3.363 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.568 -0.501 -3.909 1.00 0.00 H new ATOM 740 N LEU A 48 -8.834 -3.846 -1.288 1.00 0.00 N ATOM 741 CA LEU A 48 -7.611 -4.442 -0.689 1.00 0.00 C ATOM 742 C LEU A 48 -7.992 -5.525 0.322 1.00 0.00 C ATOM 743 O LEU A 48 -7.378 -6.571 0.380 1.00 0.00 O ATOM 744 CB LEU A 48 -6.817 -3.342 0.019 1.00 0.00 C ATOM 745 CG LEU A 48 -5.477 -3.896 0.505 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.527 -4.084 -0.682 1.00 0.00 C ATOM 747 CD2 LEU A 48 -4.861 -2.912 1.501 1.00 0.00 C ATOM 0 H LEU A 48 -8.938 -2.840 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.007 -4.892 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.650 -2.507 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.388 -2.956 0.863 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.637 -4.860 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.575 -4.479 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.967 -4.783 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.362 -3.124 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.905 -3.300 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.705 -1.950 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.534 -2.783 2.349 1.00 0.00 H new ATOM 759 N GLU A 49 -8.995 -5.288 1.122 1.00 0.00 N ATOM 760 CA GLU A 49 -9.397 -6.307 2.124 1.00 0.00 C ATOM 761 C GLU A 49 -10.096 -7.473 1.420 1.00 0.00 C ATOM 762 O GLU A 49 -9.939 -8.619 1.790 1.00 0.00 O ATOM 763 CB GLU A 49 -10.340 -5.654 3.135 1.00 0.00 C ATOM 764 CG GLU A 49 -11.738 -5.548 2.544 1.00 0.00 C ATOM 765 CD GLU A 49 -12.622 -4.703 3.462 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.155 -4.333 4.526 1.00 0.00 O ATOM 767 OE2 GLU A 49 -13.753 -4.440 3.086 1.00 0.00 O ATOM 0 H GLU A 49 -9.551 -4.433 1.123 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.519 -6.692 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.367 -6.242 4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.972 -4.663 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.691 -5.098 1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.168 -6.542 2.422 1.00 0.00 H new ATOM 774 N ASP A 50 -10.876 -7.185 0.414 1.00 0.00 N ATOM 775 CA ASP A 50 -11.598 -8.269 -0.310 1.00 0.00 C ATOM 776 C ASP A 50 -10.608 -9.283 -0.890 1.00 0.00 C ATOM 777 O ASP A 50 -10.856 -10.473 -0.895 1.00 0.00 O ATOM 778 CB ASP A 50 -12.407 -7.651 -1.448 1.00 0.00 C ATOM 779 CG ASP A 50 -13.320 -8.714 -2.063 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.351 -9.815 -1.540 1.00 0.00 O ATOM 781 OD2 ASP A 50 -13.974 -8.407 -3.047 1.00 0.00 O ATOM 0 H ASP A 50 -11.045 -6.243 0.062 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.257 -8.784 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.002 -6.818 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.737 -7.249 -2.208 1.00 0.00 H new ATOM 786 N ARG A 51 -9.500 -8.823 -1.398 1.00 0.00 N ATOM 787 CA ARG A 51 -8.507 -9.756 -2.001 1.00 0.00 C ATOM 788 C ARG A 51 -7.977 -10.752 -0.964 1.00 0.00 C ATOM 789 O ARG A 51 -7.723 -11.898 -1.276 1.00 0.00 O ATOM 790 CB ARG A 51 -7.344 -8.949 -2.568 1.00 0.00 C ATOM 791 CG ARG A 51 -7.835 -8.119 -3.754 1.00 0.00 C ATOM 792 CD ARG A 51 -6.656 -7.377 -4.383 1.00 0.00 C ATOM 793 NE ARG A 51 -5.707 -8.361 -4.975 1.00 0.00 N ATOM 794 CZ ARG A 51 -5.992 -8.940 -6.110 1.00 0.00 C ATOM 795 NH1 ARG A 51 -7.107 -8.659 -6.726 1.00 0.00 N ATOM 796 NH2 ARG A 51 -5.161 -9.803 -6.630 1.00 0.00 N ATOM 0 H ARG A 51 -9.238 -7.838 -1.422 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.000 -10.320 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.930 -8.296 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.543 -9.617 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.307 -8.766 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.592 -7.407 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.013 -6.692 -5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.148 -6.774 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.835 -8.582 -4.494 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.758 -7.986 -6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.328 -9.112 -7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.289 -10.025 -6.149 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.384 -10.255 -7.517 1.00 0.00 H new ATOM 810 N PHE A 52 -7.789 -10.336 0.259 1.00 0.00 N ATOM 811 CA PHE A 52 -7.257 -11.280 1.277 1.00 0.00 C ATOM 812 C PHE A 52 -8.403 -11.920 2.061 1.00 0.00 C ATOM 813 O PHE A 52 -8.201 -12.833 2.836 1.00 0.00 O ATOM 814 CB PHE A 52 -6.328 -10.518 2.221 1.00 0.00 C ATOM 815 CG PHE A 52 -5.077 -10.135 1.470 1.00 0.00 C ATOM 816 CD1 PHE A 52 -5.034 -8.939 0.745 1.00 0.00 C ATOM 817 CD2 PHE A 52 -3.962 -10.982 1.491 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.876 -8.590 0.039 1.00 0.00 C ATOM 819 CE2 PHE A 52 -2.804 -10.633 0.787 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.761 -9.437 0.061 1.00 0.00 C ATOM 0 H PHE A 52 -7.979 -9.391 0.593 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.701 -12.076 0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.826 -9.627 2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.076 -11.136 3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.894 -8.285 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.996 -11.905 2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.843 -7.668 -0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.944 -11.286 0.804 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.868 -9.167 -0.482 1.00 0.00 H new ATOM 830 N GLY A 53 -9.607 -11.460 1.864 1.00 0.00 N ATOM 831 CA GLY A 53 -10.755 -12.055 2.599 1.00 0.00 C ATOM 832 C GLY A 53 -10.696 -11.608 4.054 1.00 0.00 C ATOM 833 O GLY A 53 -11.132 -12.306 4.946 1.00 0.00 O ATOM 0 H GLY A 53 -9.844 -10.699 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.696 -11.741 2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.719 -13.143 2.537 1.00 0.00 H new ATOM 837 N ILE A 54 -10.149 -10.448 4.296 1.00 0.00 N ATOM 838 CA ILE A 54 -10.048 -9.950 5.694 1.00 0.00 C ATOM 839 C ILE A 54 -11.009 -8.777 5.890 1.00 0.00 C ATOM 840 O ILE A 54 -11.349 -8.080 4.957 1.00 0.00 O ATOM 841 CB ILE A 54 -8.611 -9.498 5.954 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.272 -8.333 5.021 1.00 0.00 C ATOM 843 CG2 ILE A 54 -7.654 -10.662 5.690 1.00 0.00 C ATOM 844 CD1 ILE A 54 -6.810 -7.933 5.213 1.00 0.00 C ATOM 0 H ILE A 54 -9.768 -9.824 3.584 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.313 -10.743 6.393 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.510 -9.176 6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.448 -8.621 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.923 -7.484 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.629 -10.340 5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.899 -11.492 6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.751 -10.985 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.569 -7.103 4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.649 -7.628 6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.167 -8.782 4.981 1.00 0.00 H new ATOM 856 N ALA A 55 -11.459 -8.560 7.097 1.00 0.00 N ATOM 857 CA ALA A 55 -12.406 -7.436 7.349 1.00 0.00 C ATOM 858 C ALA A 55 -11.665 -6.278 8.021 1.00 0.00 C ATOM 859 O ALA A 55 -10.898 -6.469 8.943 1.00 0.00 O ATOM 860 CB ALA A 55 -13.533 -7.918 8.265 1.00 0.00 C ATOM 0 H ALA A 55 -11.212 -9.112 7.918 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.824 -7.096 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.227 -7.098 8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.064 -8.741 7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.112 -8.259 9.211 1.00 0.00 H new ATOM 866 N ALA A 56 -11.893 -5.077 7.566 1.00 0.00 N ATOM 867 CA ALA A 56 -11.209 -3.904 8.179 1.00 0.00 C ATOM 868 C ALA A 56 -11.731 -3.690 9.601 1.00 0.00 C ATOM 869 O ALA A 56 -11.039 -3.177 10.456 1.00 0.00 O ATOM 870 CB ALA A 56 -11.490 -2.655 7.341 1.00 0.00 C ATOM 0 H ALA A 56 -12.524 -4.857 6.795 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.135 -4.088 8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.990 -1.796 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.116 -2.805 6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.564 -2.473 7.308 1.00 0.00 H new ATOM 876 N ASP A 57 -12.950 -4.074 9.861 1.00 0.00 N ATOM 877 CA ASP A 57 -13.519 -3.886 11.222 1.00 0.00 C ATOM 878 C ASP A 57 -12.627 -4.569 12.261 1.00 0.00 C ATOM 879 O ASP A 57 -12.453 -4.081 13.361 1.00 0.00 O ATOM 880 CB ASP A 57 -14.916 -4.496 11.269 1.00 0.00 C ATOM 881 CG ASP A 57 -15.861 -3.680 10.386 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.472 -2.599 9.976 1.00 0.00 O ATOM 883 OD2 ASP A 57 -16.960 -4.148 10.137 1.00 0.00 O ATOM 0 H ASP A 57 -13.578 -4.511 9.186 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.573 -2.821 11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.884 -5.530 10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.283 -4.511 12.295 1.00 0.00 H new ATOM 888 N ASP A 58 -12.067 -5.699 11.928 1.00 0.00 N ATOM 889 CA ASP A 58 -11.196 -6.415 12.903 1.00 0.00 C ATOM 890 C ASP A 58 -10.061 -5.497 13.363 1.00 0.00 C ATOM 891 O ASP A 58 -9.695 -5.483 14.522 1.00 0.00 O ATOM 892 CB ASP A 58 -10.606 -7.657 12.240 1.00 0.00 C ATOM 893 CG ASP A 58 -9.877 -8.500 13.289 1.00 0.00 C ATOM 894 OD1 ASP A 58 -10.537 -9.274 13.961 1.00 0.00 O ATOM 895 OD2 ASP A 58 -8.671 -8.355 13.402 1.00 0.00 O ATOM 0 H ASP A 58 -12.175 -6.158 11.023 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.792 -6.707 13.767 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.397 -8.243 11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.916 -7.366 11.448 1.00 0.00 H new ATOM 900 N VAL A 59 -9.500 -4.733 12.465 1.00 0.00 N ATOM 901 CA VAL A 59 -8.385 -3.817 12.848 1.00 0.00 C ATOM 902 C VAL A 59 -8.688 -2.400 12.355 1.00 0.00 C ATOM 903 O VAL A 59 -9.122 -2.202 11.239 1.00 0.00 O ATOM 904 CB VAL A 59 -7.084 -4.307 12.216 1.00 0.00 C ATOM 905 CG1 VAL A 59 -5.923 -3.433 12.692 1.00 0.00 C ATOM 906 CG2 VAL A 59 -6.833 -5.759 12.631 1.00 0.00 C ATOM 0 H VAL A 59 -9.766 -4.703 11.481 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.283 -3.808 13.933 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.162 -4.246 11.130 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.995 -3.783 12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.102 -2.399 12.398 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.844 -3.493 13.777 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.905 -6.111 12.181 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.755 -5.819 13.717 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.660 -6.383 12.291 1.00 0.00 H new ATOM 916 N GLU A 60 -8.457 -1.410 13.173 1.00 0.00 N ATOM 917 CA GLU A 60 -8.732 -0.012 12.739 1.00 0.00 C ATOM 918 C GLU A 60 -7.511 0.535 11.997 1.00 0.00 C ATOM 919 O GLU A 60 -6.389 0.398 12.442 1.00 0.00 O ATOM 920 CB GLU A 60 -9.015 0.857 13.965 1.00 0.00 C ATOM 921 CG GLU A 60 -9.438 2.252 13.517 1.00 0.00 C ATOM 922 CD GLU A 60 -9.619 3.151 14.740 1.00 0.00 C ATOM 923 OE1 GLU A 60 -9.393 2.675 15.840 1.00 0.00 O ATOM 924 OE2 GLU A 60 -9.981 4.302 14.557 1.00 0.00 O ATOM 0 H GLU A 60 -8.091 -1.508 14.120 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.599 0.002 12.078 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.801 0.405 14.570 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.126 0.920 14.592 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.686 2.675 12.851 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.369 2.197 12.953 1.00 0.00 H new ATOM 931 N LEU A 61 -7.719 1.147 10.863 1.00 0.00 N ATOM 932 CA LEU A 61 -6.578 1.694 10.089 1.00 0.00 C ATOM 933 C LEU A 61 -6.403 3.181 10.407 1.00 0.00 C ATOM 934 O LEU A 61 -7.362 3.914 10.543 1.00 0.00 O ATOM 935 CB LEU A 61 -6.863 1.523 8.597 1.00 0.00 C ATOM 936 CG LEU A 61 -7.153 0.054 8.295 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.340 -0.131 6.788 1.00 0.00 C ATOM 938 CD2 LEU A 61 -5.981 -0.808 8.771 1.00 0.00 C ATOM 0 H LEU A 61 -8.636 1.290 10.441 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.665 1.162 10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.714 2.139 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.008 1.863 8.012 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.062 -0.249 8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.547 -1.179 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.175 0.481 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.431 0.173 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.189 -1.856 8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.072 -0.504 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.847 -0.679 9.845 1.00 0.00 H new ATOM 950 N SER A 62 -5.181 3.630 10.515 1.00 0.00 N ATOM 951 CA SER A 62 -4.931 5.066 10.811 1.00 0.00 C ATOM 952 C SER A 62 -4.348 5.731 9.565 1.00 0.00 C ATOM 953 O SER A 62 -3.762 5.079 8.726 1.00 0.00 O ATOM 954 CB SER A 62 -3.937 5.184 11.967 1.00 0.00 C ATOM 955 OG SER A 62 -2.931 6.128 11.626 1.00 0.00 O ATOM 0 H SER A 62 -4.342 3.059 10.410 1.00 0.00 H new ATOM 0 HA SER A 62 -5.864 5.556 11.090 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.453 5.497 12.875 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.486 4.214 12.175 1.00 0.00 H new ATOM 0 HG SER A 62 -2.293 6.207 12.365 1.00 0.00 H new ATOM 961 N PRO A 63 -4.503 7.019 9.441 1.00 0.00 N ATOM 962 CA PRO A 63 -3.983 7.774 8.269 1.00 0.00 C ATOM 963 C PRO A 63 -2.494 7.501 8.027 1.00 0.00 C ATOM 964 O PRO A 63 -1.993 7.663 6.932 1.00 0.00 O ATOM 965 CB PRO A 63 -4.207 9.250 8.635 1.00 0.00 C ATOM 966 CG PRO A 63 -4.614 9.273 10.075 1.00 0.00 C ATOM 967 CD PRO A 63 -5.181 7.895 10.398 1.00 0.00 C ATOM 0 HA PRO A 63 -4.488 7.482 7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.298 9.831 8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.979 9.693 8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.760 9.498 10.714 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.359 10.048 10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.971 7.605 11.428 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.263 7.866 10.273 1.00 0.00 H new ATOM 975 N GLU A 64 -1.788 7.081 9.041 1.00 0.00 N ATOM 976 CA GLU A 64 -0.340 6.787 8.879 1.00 0.00 C ATOM 977 C GLU A 64 -0.168 5.531 8.031 1.00 0.00 C ATOM 978 O GLU A 64 0.830 5.352 7.367 1.00 0.00 O ATOM 979 CB GLU A 64 0.287 6.569 10.253 1.00 0.00 C ATOM 980 CG GLU A 64 0.211 7.859 11.061 1.00 0.00 C ATOM 981 CD GLU A 64 0.907 7.662 12.409 1.00 0.00 C ATOM 982 OE1 GLU A 64 1.247 6.532 12.717 1.00 0.00 O ATOM 983 OE2 GLU A 64 1.086 8.644 13.110 1.00 0.00 O ATOM 0 H GLU A 64 -2.157 6.929 9.980 1.00 0.00 H new ATOM 0 HA GLU A 64 0.151 7.625 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.233 5.768 10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.326 6.257 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.684 8.673 10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.830 8.142 11.216 1.00 0.00 H new ATOM 990 N HIS A 65 -1.137 4.660 8.049 1.00 0.00 N ATOM 991 CA HIS A 65 -1.030 3.413 7.246 1.00 0.00 C ATOM 992 C HIS A 65 -1.024 3.774 5.765 1.00 0.00 C ATOM 993 O HIS A 65 -0.614 2.999 4.924 1.00 0.00 O ATOM 994 CB HIS A 65 -2.230 2.514 7.542 1.00 0.00 C ATOM 995 CG HIS A 65 -2.526 1.648 6.347 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.308 0.278 6.347 1.00 0.00 N ATOM 997 CD2 HIS A 65 -3.039 1.945 5.107 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.687 -0.193 5.143 1.00 0.00 C ATOM 999 NE2 HIS A 65 -3.137 0.782 4.355 1.00 0.00 N ATOM 0 H HIS A 65 -1.999 4.759 8.586 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.110 2.888 7.502 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.023 1.891 8.412 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.101 3.123 7.786 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.930 -0.272 7.118 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.322 2.931 4.770 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.633 -1.232 4.853 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.487 4.945 5.442 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.520 5.365 4.019 1.00 0.00 C ATOM 1010 C PHE A 66 -0.332 6.280 3.739 1.00 0.00 C ATOM 1011 O PHE A 66 -0.296 6.993 2.756 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.822 6.118 3.751 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.984 5.336 4.314 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.189 5.288 5.699 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.861 4.663 3.454 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.269 4.569 6.223 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.939 3.942 3.980 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.142 3.897 5.365 1.00 0.00 C ATOM 0 H PHE A 66 -1.845 5.632 6.105 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.465 4.490 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.782 7.108 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.955 6.265 2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.513 5.806 6.363 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.706 4.700 2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.427 4.534 7.291 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.614 3.420 3.318 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.975 3.342 5.770 1.00 0.00 H new ATOM 1028 N ARG A 67 0.633 6.271 4.609 1.00 0.00 N ATOM 1029 CA ARG A 67 1.823 7.138 4.425 1.00 0.00 C ATOM 1030 C ARG A 67 2.443 6.917 3.041 1.00 0.00 C ATOM 1031 O ARG A 67 2.901 7.849 2.410 1.00 0.00 O ATOM 1032 CB ARG A 67 2.832 6.803 5.522 1.00 0.00 C ATOM 1033 CG ARG A 67 3.324 5.362 5.344 1.00 0.00 C ATOM 1034 CD ARG A 67 3.473 4.665 6.705 1.00 0.00 C ATOM 1035 NE ARG A 67 4.707 3.831 6.709 1.00 0.00 N ATOM 1036 CZ ARG A 67 5.294 3.539 7.838 1.00 0.00 C ATOM 1037 NH1 ARG A 67 4.794 3.972 8.964 1.00 0.00 N ATOM 1038 NH2 ARG A 67 6.378 2.813 7.844 1.00 0.00 N ATOM 0 H ARG A 67 0.648 5.693 5.449 1.00 0.00 H new ATOM 0 HA ARG A 67 1.532 8.186 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.674 7.494 5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.372 6.922 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.622 4.807 4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.282 5.361 4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.522 5.408 7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.601 4.042 6.903 1.00 0.00 H new ATOM 0 HE ARG A 67 5.094 3.488 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.945 4.538 8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.252 3.744 9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.769 2.472 6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.835 2.586 8.727 1.00 0.00 H new ATOM 1052 N SER A 68 2.469 5.703 2.552 1.00 0.00 N ATOM 1053 CA SER A 68 3.071 5.475 1.205 1.00 0.00 C ATOM 1054 C SER A 68 2.739 4.072 0.695 1.00 0.00 C ATOM 1055 O SER A 68 2.304 3.213 1.436 1.00 0.00 O ATOM 1056 CB SER A 68 4.589 5.628 1.299 1.00 0.00 C ATOM 1057 OG SER A 68 5.138 4.476 1.925 1.00 0.00 O ATOM 0 H SER A 68 2.105 4.872 3.019 1.00 0.00 H new ATOM 0 HA SER A 68 2.660 6.208 0.510 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.016 5.754 0.304 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.842 6.522 1.870 1.00 0.00 H new ATOM 0 HG SER A 68 6.030 4.686 2.273 1.00 0.00 H new ATOM 1063 N ILE A 69 2.967 3.833 -0.571 1.00 0.00 N ATOM 1064 CA ILE A 69 2.697 2.493 -1.145 1.00 0.00 C ATOM 1065 C ILE A 69 3.536 1.470 -0.385 1.00 0.00 C ATOM 1066 O ILE A 69 3.134 0.344 -0.170 1.00 0.00 O ATOM 1067 CB ILE A 69 3.119 2.484 -2.615 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.481 3.659 -3.352 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.658 1.192 -3.266 1.00 0.00 C ATOM 1070 CD1 ILE A 69 0.995 3.733 -3.014 1.00 0.00 C ATOM 0 H ILE A 69 3.332 4.519 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 69 1.637 2.254 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 69 4.205 2.566 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.975 4.589 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.614 3.541 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.959 1.185 -4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.111 0.344 -2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.573 1.118 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.543 4.573 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.506 2.808 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.873 3.871 -1.940 1.00 0.00 H new ATOM 1082 N ARG A 70 4.713 1.866 0.008 1.00 0.00 N ATOM 1083 CA ARG A 70 5.618 0.945 0.744 1.00 0.00 C ATOM 1084 C ARG A 70 4.917 0.443 2.007 1.00 0.00 C ATOM 1085 O ARG A 70 4.962 -0.727 2.335 1.00 0.00 O ATOM 1086 CB ARG A 70 6.870 1.728 1.149 1.00 0.00 C ATOM 1087 CG ARG A 70 7.529 2.328 -0.096 1.00 0.00 C ATOM 1088 CD ARG A 70 8.323 3.576 0.300 1.00 0.00 C ATOM 1089 NE ARG A 70 9.467 3.182 1.170 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.428 4.032 1.408 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.390 5.225 0.882 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.431 3.685 2.170 1.00 0.00 N ATOM 0 H ARG A 70 5.090 2.800 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 70 5.882 0.096 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.605 2.520 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.572 1.071 1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.189 1.595 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.770 2.586 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.689 4.085 -0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.677 4.279 0.826 1.00 0.00 H new ATOM 0 HE ARG A 70 9.499 2.248 1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.609 5.494 0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.142 5.889 1.069 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.462 2.751 2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.183 4.348 2.357 1.00 0.00 H new ATOM 1106 N SER A 71 4.268 1.322 2.717 1.00 0.00 N ATOM 1107 CA SER A 71 3.560 0.907 3.959 1.00 0.00 C ATOM 1108 C SER A 71 2.384 -0.007 3.609 1.00 0.00 C ATOM 1109 O SER A 71 2.105 -0.968 4.299 1.00 0.00 O ATOM 1110 CB SER A 71 3.037 2.148 4.681 1.00 0.00 C ATOM 1111 OG SER A 71 2.595 1.784 5.982 1.00 0.00 O ATOM 0 H SER A 71 4.197 2.314 2.490 1.00 0.00 H new ATOM 0 HA SER A 71 4.254 0.368 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.822 2.901 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.217 2.592 4.117 1.00 0.00 H new ATOM 0 HG SER A 71 1.695 2.141 6.134 1.00 0.00 H new ATOM 1117 N ILE A 72 1.685 0.291 2.549 1.00 0.00 N ATOM 1118 CA ILE A 72 0.521 -0.545 2.162 1.00 0.00 C ATOM 1119 C ILE A 72 0.971 -1.984 1.903 1.00 0.00 C ATOM 1120 O ILE A 72 0.399 -2.923 2.418 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.101 0.034 0.894 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.540 1.477 1.155 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.312 -0.802 0.501 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.053 2.098 -0.144 1.00 0.00 C ATOM 0 H ILE A 72 1.873 1.082 1.933 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.211 -0.547 2.969 1.00 0.00 H new ATOM 0 HB ILE A 72 0.631 0.018 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.322 1.499 1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.297 2.058 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.759 -0.392 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.000 -1.830 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.044 -0.783 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.365 3.125 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.258 2.090 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.902 1.522 -0.512 1.00 0.00 H new ATOM 1136 N ASP A 73 1.989 -2.168 1.108 1.00 0.00 N ATOM 1137 CA ASP A 73 2.461 -3.551 0.824 1.00 0.00 C ATOM 1138 C ASP A 73 2.869 -4.218 2.137 1.00 0.00 C ATOM 1139 O ASP A 73 2.568 -5.369 2.383 1.00 0.00 O ATOM 1140 CB ASP A 73 3.669 -3.496 -0.110 1.00 0.00 C ATOM 1141 CG ASP A 73 3.940 -4.889 -0.683 1.00 0.00 C ATOM 1142 OD1 ASP A 73 3.146 -5.778 -0.421 1.00 0.00 O ATOM 1143 OD2 ASP A 73 4.934 -5.043 -1.371 1.00 0.00 O ATOM 0 H ASP A 73 2.512 -1.424 0.645 1.00 0.00 H new ATOM 0 HA ASP A 73 1.662 -4.121 0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.484 -2.789 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.544 -3.138 0.432 1.00 0.00 H new ATOM 1148 N ALA A 74 3.554 -3.499 2.978 1.00 0.00 N ATOM 1149 CA ALA A 74 3.989 -4.075 4.277 1.00 0.00 C ATOM 1150 C ALA A 74 2.769 -4.357 5.151 1.00 0.00 C ATOM 1151 O ALA A 74 2.681 -5.378 5.802 1.00 0.00 O ATOM 1152 CB ALA A 74 4.906 -3.079 4.981 1.00 0.00 C ATOM 0 H ALA A 74 3.833 -2.531 2.820 1.00 0.00 H new ATOM 0 HA ALA A 74 4.524 -5.008 4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.230 -3.494 5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.777 -2.882 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.367 -2.148 5.155 1.00 0.00 H new ATOM 1158 N PHE A 75 1.826 -3.457 5.176 1.00 0.00 N ATOM 1159 CA PHE A 75 0.613 -3.675 6.010 1.00 0.00 C ATOM 1160 C PHE A 75 -0.148 -4.896 5.491 1.00 0.00 C ATOM 1161 O PHE A 75 -0.561 -5.752 6.248 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.288 -2.448 5.934 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.442 -2.612 6.894 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.314 -2.182 8.221 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -2.638 -3.196 6.460 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.383 -2.335 9.112 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -3.707 -3.349 7.351 1.00 0.00 C ATOM 1168 CZ PHE A 75 -3.580 -2.918 8.677 1.00 0.00 C ATOM 0 H PHE A 75 1.843 -2.580 4.655 1.00 0.00 H new ATOM 0 HA PHE A 75 0.911 -3.842 7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.280 -1.551 6.181 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.661 -2.320 4.918 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.391 -1.733 8.557 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.736 -3.529 5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.285 -2.003 10.135 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.629 -3.799 7.016 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.405 -3.035 9.364 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.334 -4.982 4.201 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.062 -6.143 3.630 1.00 0.00 C ATOM 1180 C VAL A 76 -0.303 -7.425 3.967 1.00 0.00 C ATOM 1181 O VAL A 76 -0.874 -8.397 4.421 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.141 -5.970 2.115 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -1.641 -7.260 1.480 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.109 -4.831 1.783 1.00 0.00 C ATOM 0 H VAL A 76 -0.011 -4.295 3.520 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.068 -6.203 4.046 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.151 -5.734 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.697 -7.135 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.954 -8.072 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.631 -7.497 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.167 -4.706 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.098 -5.069 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.752 -3.906 2.237 1.00 0.00 H new ATOM 1194 N VAL A 77 0.986 -7.433 3.760 1.00 0.00 N ATOM 1195 CA VAL A 77 1.784 -8.641 4.080 1.00 0.00 C ATOM 1196 C VAL A 77 1.833 -8.821 5.598 1.00 0.00 C ATOM 1197 O VAL A 77 1.704 -9.913 6.113 1.00 0.00 O ATOM 1198 CB VAL A 77 3.200 -8.453 3.538 1.00 0.00 C ATOM 1199 CG1 VAL A 77 4.099 -9.557 4.081 1.00 0.00 C ATOM 1200 CG2 VAL A 77 3.173 -8.521 2.010 1.00 0.00 C ATOM 0 H VAL A 77 1.519 -6.650 3.381 1.00 0.00 H new ATOM 0 HA VAL A 77 1.332 -9.523 3.626 1.00 0.00 H new ATOM 0 HB VAL A 77 3.586 -7.483 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.110 -9.425 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.116 -9.509 5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.714 -10.527 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.183 -8.387 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.789 -9.492 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.528 -7.733 1.622 1.00 0.00 H new ATOM 1210 N GLY A 78 2.022 -7.746 6.311 1.00 0.00 N ATOM 1211 CA GLY A 78 2.088 -7.823 7.797 1.00 0.00 C ATOM 1212 C GLY A 78 0.737 -8.263 8.365 1.00 0.00 C ATOM 1213 O GLY A 78 0.662 -8.850 9.426 1.00 0.00 O ATOM 0 H GLY A 78 2.135 -6.809 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.864 -8.527 8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.364 -6.851 8.207 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.332 -7.966 7.682 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.676 -8.350 8.201 1.00 0.00 C ATOM 1219 C ALA A 79 -1.830 -9.873 8.201 1.00 0.00 C ATOM 1220 O ALA A 79 -2.407 -10.445 9.105 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.758 -7.731 7.313 1.00 0.00 C ATOM 0 H ALA A 79 -0.335 -7.475 6.788 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.779 -7.984 9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.742 -8.010 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.660 -6.645 7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.644 -8.096 6.292 1.00 0.00 H new ATOM 1227 N THR A 80 -1.326 -10.535 7.199 1.00 0.00 N ATOM 1228 CA THR A 80 -1.453 -12.016 7.154 1.00 0.00 C ATOM 1229 C THR A 80 -0.358 -12.648 8.007 1.00 0.00 C ATOM 1230 O THR A 80 -0.539 -13.703 8.583 1.00 0.00 O ATOM 1231 CB THR A 80 -1.321 -12.494 5.706 1.00 0.00 C ATOM 1232 OG1 THR A 80 -0.007 -12.227 5.238 1.00 0.00 O ATOM 1233 CG2 THR A 80 -2.338 -11.757 4.830 1.00 0.00 C ATOM 0 H THR A 80 -0.833 -10.115 6.411 1.00 0.00 H new ATOM 0 HA THR A 80 -2.427 -12.311 7.544 1.00 0.00 H new ATOM 0 HB THR A 80 -1.512 -13.566 5.657 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.337 -11.418 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.244 -12.097 3.799 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.346 -11.964 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.149 -10.685 4.877 1.00 0.00 H new ATOM 1241 N THR A 81 0.776 -12.013 8.090 1.00 0.00 N ATOM 1242 CA THR A 81 1.887 -12.571 8.900 1.00 0.00 C ATOM 1243 C THR A 81 2.486 -11.469 9.779 1.00 0.00 C ATOM 1244 O THR A 81 2.435 -10.310 9.433 1.00 0.00 O ATOM 1245 CB THR A 81 2.956 -13.111 7.956 1.00 0.00 C ATOM 1246 OG1 THR A 81 2.844 -12.461 6.696 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.767 -14.616 7.774 1.00 0.00 C ATOM 0 H THR A 81 0.980 -11.127 7.628 1.00 0.00 H new ATOM 0 HA THR A 81 1.516 -13.372 9.539 1.00 0.00 H new ATOM 0 HB THR A 81 3.943 -12.921 8.378 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.531 -12.805 6.088 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.532 -15.000 7.099 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.853 -15.113 8.740 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.781 -14.811 7.353 1.00 0.00 H new