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 180:sc=-0.00288 USER MOD Set 1.2: A 81 THR OG1 : rot 37:sc= 0.723 USER MOD Set 2.1: A 65 HIS : no HE2:sc= -8.71! C(o=-12!,f=-18!) USER MOD Set 2.2: A 71 SER OG : rot -140:sc= -3.2! USER MOD Single : A 3 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.082) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc=-0.00613 K(o=-0.0061,f=-2.1!) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.89 (180deg=-1.52) USER MOD Single : A 62 SER OG : rot 180:sc= -0.829 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00751 USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 4.528 -8.349 -3.546 1.00 0.00 N ATOM 64 CA HIS A 3 3.473 -8.030 -4.553 1.00 0.00 C ATOM 65 C HIS A 3 3.167 -6.529 -4.531 1.00 0.00 C ATOM 66 O HIS A 3 2.037 -6.116 -4.700 1.00 0.00 O ATOM 67 CB HIS A 3 2.199 -8.816 -4.237 1.00 0.00 C ATOM 68 CG HIS A 3 2.534 -10.275 -4.090 1.00 0.00 C ATOM 69 ND1 HIS A 3 1.703 -11.162 -3.417 1.00 0.00 N ATOM 70 CD2 HIS A 3 3.604 -11.019 -4.523 1.00 0.00 C ATOM 71 CE1 HIS A 3 2.282 -12.376 -3.466 1.00 0.00 C ATOM 72 NE2 HIS A 3 3.440 -12.341 -4.127 1.00 0.00 N ATOM 0 HA HIS A 3 3.833 -8.309 -5.543 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.746 -8.442 -3.319 1.00 0.00 H new ATOM 0 HB3 HIS A 3 1.467 -8.678 -5.033 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.443 -10.636 -5.085 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.861 -13.268 -3.025 1.00 0.00 H new ATOM 0 HE2 HIS A 3 4.073 -13.121 -4.305 1.00 0.00 H new ATOM 81 N ALA A 4 4.162 -5.709 -4.327 1.00 0.00 N ATOM 82 CA ALA A 4 3.921 -4.238 -4.299 1.00 0.00 C ATOM 83 C ALA A 4 3.388 -3.780 -5.660 1.00 0.00 C ATOM 84 O ALA A 4 2.605 -2.856 -5.751 1.00 0.00 O ATOM 85 CB ALA A 4 5.234 -3.512 -4.006 1.00 0.00 C ATOM 0 H ALA A 4 5.130 -5.994 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 4 3.191 -4.007 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.058 -2.436 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.621 -3.835 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.961 -3.746 -4.784 1.00 0.00 H new ATOM 91 N SER A 5 3.816 -4.412 -6.718 1.00 0.00 N ATOM 92 CA SER A 5 3.343 -4.006 -8.072 1.00 0.00 C ATOM 93 C SER A 5 1.817 -4.097 -8.139 1.00 0.00 C ATOM 94 O SER A 5 1.165 -3.279 -8.757 1.00 0.00 O ATOM 95 CB SER A 5 3.954 -4.933 -9.123 1.00 0.00 C ATOM 96 OG SER A 5 3.641 -4.442 -10.420 1.00 0.00 O ATOM 0 H SER A 5 4.473 -5.192 -6.704 1.00 0.00 H new ATOM 0 HA SER A 5 3.650 -2.978 -8.266 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.035 -4.987 -8.993 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.567 -5.945 -9.001 1.00 0.00 H new ATOM 0 HG SER A 5 4.032 -5.033 -11.097 1.00 0.00 H new ATOM 102 N VAL A 6 1.241 -5.086 -7.513 1.00 0.00 N ATOM 103 CA VAL A 6 -0.243 -5.222 -7.550 1.00 0.00 C ATOM 104 C VAL A 6 -0.884 -4.014 -6.865 1.00 0.00 C ATOM 105 O VAL A 6 -1.822 -3.425 -7.367 1.00 0.00 O ATOM 106 CB VAL A 6 -0.653 -6.499 -6.821 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.176 -6.544 -6.690 1.00 0.00 C ATOM 108 CG2 VAL A 6 -0.173 -7.716 -7.617 1.00 0.00 C ATOM 0 H VAL A 6 1.731 -5.804 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.579 -5.271 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.202 -6.513 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.470 -7.456 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.518 -5.677 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.627 -6.531 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.465 -8.629 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.624 -7.703 -8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.912 -7.684 -7.712 1.00 0.00 H new ATOM 118 N ILE A 7 -0.377 -3.637 -5.727 1.00 0.00 N ATOM 119 CA ILE A 7 -0.946 -2.465 -5.006 1.00 0.00 C ATOM 120 C ILE A 7 -0.829 -1.228 -5.893 1.00 0.00 C ATOM 121 O ILE A 7 -1.740 -0.429 -5.993 1.00 0.00 O ATOM 122 CB ILE A 7 -0.157 -2.235 -3.719 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.221 -3.494 -2.853 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.761 -1.057 -2.951 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.769 -3.367 -1.695 1.00 0.00 C ATOM 0 H ILE A 7 0.410 -4.091 -5.263 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.993 -2.652 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 7 0.881 -2.013 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.231 -3.633 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.015 -4.373 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.197 -0.894 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.717 -0.160 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.800 -1.277 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.724 -4.264 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.778 -3.249 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.512 -2.497 -1.090 1.00 0.00 H new ATOM 137 N ALA A 8 0.292 -1.067 -6.536 1.00 0.00 N ATOM 138 CA ALA A 8 0.482 0.113 -7.419 1.00 0.00 C ATOM 139 C ALA A 8 -0.565 0.082 -8.533 1.00 0.00 C ATOM 140 O ALA A 8 -1.059 1.103 -8.967 1.00 0.00 O ATOM 141 CB ALA A 8 1.884 0.065 -8.028 1.00 0.00 C ATOM 0 H ALA A 8 1.087 -1.704 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 8 0.369 1.030 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.029 0.929 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.628 0.081 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.997 -0.849 -8.611 1.00 0.00 H new ATOM 147 N GLN A 9 -0.902 -1.086 -9.005 1.00 0.00 N ATOM 148 CA GLN A 9 -1.914 -1.187 -10.094 1.00 0.00 C ATOM 149 C GLN A 9 -3.276 -0.695 -9.597 1.00 0.00 C ATOM 150 O GLN A 9 -3.990 -0.007 -10.299 1.00 0.00 O ATOM 151 CB GLN A 9 -2.033 -2.645 -10.543 1.00 0.00 C ATOM 152 CG GLN A 9 -2.933 -2.729 -11.777 1.00 0.00 C ATOM 153 CD GLN A 9 -3.133 -4.194 -12.165 1.00 0.00 C ATOM 154 OE1 GLN A 9 -2.263 -4.802 -12.757 1.00 0.00 O ATOM 155 NE2 GLN A 9 -4.251 -4.792 -11.855 1.00 0.00 N ATOM 0 H GLN A 9 -0.520 -1.976 -8.684 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.597 -0.567 -10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.046 -3.047 -10.772 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.446 -3.252 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.896 -2.262 -11.570 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.484 -2.181 -12.605 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.981 -4.282 -11.358 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.394 -5.769 -12.110 1.00 0.00 H new ATOM 164 N PHE A 10 -3.652 -1.048 -8.398 1.00 0.00 N ATOM 165 CA PHE A 10 -4.980 -0.602 -7.878 1.00 0.00 C ATOM 166 C PHE A 10 -5.023 0.919 -7.739 1.00 0.00 C ATOM 167 O PHE A 10 -5.939 1.566 -8.207 1.00 0.00 O ATOM 168 CB PHE A 10 -5.237 -1.233 -6.508 1.00 0.00 C ATOM 169 CG PHE A 10 -5.732 -2.650 -6.674 1.00 0.00 C ATOM 170 CD1 PHE A 10 -7.074 -2.888 -6.996 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.854 -3.726 -6.493 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.538 -4.200 -7.136 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.319 -5.039 -6.636 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.661 -5.276 -6.957 1.00 0.00 C ATOM 0 H PHE A 10 -3.103 -1.622 -7.758 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.747 -0.917 -8.585 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.320 -1.226 -5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.973 -0.644 -5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.751 -2.058 -7.136 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.819 -3.543 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.574 -4.383 -7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.642 -5.869 -6.499 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.019 -6.289 -7.066 1.00 0.00 H new ATOM 184 N VAL A 11 -4.051 1.499 -7.097 1.00 0.00 N ATOM 185 CA VAL A 11 -4.062 2.980 -6.932 1.00 0.00 C ATOM 186 C VAL A 11 -3.965 3.645 -8.307 1.00 0.00 C ATOM 187 O VAL A 11 -4.634 4.621 -8.582 1.00 0.00 O ATOM 188 CB VAL A 11 -2.883 3.413 -6.058 1.00 0.00 C ATOM 189 CG1 VAL A 11 -1.586 2.854 -6.636 1.00 0.00 C ATOM 190 CG2 VAL A 11 -2.809 4.941 -6.023 1.00 0.00 C ATOM 0 H VAL A 11 -3.254 1.018 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.990 3.285 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.022 3.032 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.747 3.163 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.638 1.766 -6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.445 3.234 -7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.969 5.250 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.670 5.322 -7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.735 5.341 -5.609 1.00 0.00 H new ATOM 200 N VAL A 12 -3.144 3.123 -9.177 1.00 0.00 N ATOM 201 CA VAL A 12 -3.021 3.728 -10.533 1.00 0.00 C ATOM 202 C VAL A 12 -4.363 3.614 -11.263 1.00 0.00 C ATOM 203 O VAL A 12 -4.842 4.561 -11.852 1.00 0.00 O ATOM 204 CB VAL A 12 -1.937 2.991 -11.322 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.914 3.491 -12.767 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.573 3.252 -10.680 1.00 0.00 C ATOM 0 H VAL A 12 -2.555 2.307 -9.008 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.748 4.779 -10.443 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.153 1.923 -11.312 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.140 2.962 -13.323 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.883 3.308 -13.231 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.703 4.560 -12.779 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.200 2.727 -11.242 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.365 4.322 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.581 2.893 -9.651 1.00 0.00 H new ATOM 216 N GLU A 13 -4.976 2.459 -11.223 1.00 0.00 N ATOM 217 CA GLU A 13 -6.286 2.283 -11.906 1.00 0.00 C ATOM 218 C GLU A 13 -7.372 3.045 -11.149 1.00 0.00 C ATOM 219 O GLU A 13 -8.380 3.431 -11.706 1.00 0.00 O ATOM 220 CB GLU A 13 -6.635 0.799 -11.946 1.00 0.00 C ATOM 221 CG GLU A 13 -5.662 0.072 -12.871 1.00 0.00 C ATOM 222 CD GLU A 13 -6.048 -1.406 -12.963 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.911 -1.820 -12.206 1.00 0.00 O ATOM 224 OE2 GLU A 13 -5.476 -2.096 -13.790 1.00 0.00 O ATOM 0 H GLU A 13 -4.622 1.630 -10.745 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.221 2.672 -12.922 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.585 0.376 -10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.658 0.664 -12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.679 0.525 -13.862 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.644 0.170 -12.494 1.00 0.00 H new ATOM 231 N GLU A 14 -7.179 3.246 -9.877 1.00 0.00 N ATOM 232 CA GLU A 14 -8.203 3.962 -9.068 1.00 0.00 C ATOM 233 C GLU A 14 -8.351 5.411 -9.543 1.00 0.00 C ATOM 234 O GLU A 14 -9.413 5.993 -9.437 1.00 0.00 O ATOM 235 CB GLU A 14 -7.782 3.953 -7.597 1.00 0.00 C ATOM 236 CG GLU A 14 -8.898 4.559 -6.743 1.00 0.00 C ATOM 237 CD GLU A 14 -8.438 4.644 -5.286 1.00 0.00 C ATOM 238 OE1 GLU A 14 -7.310 4.262 -5.018 1.00 0.00 O ATOM 239 OE2 GLU A 14 -9.221 5.088 -4.464 1.00 0.00 O ATOM 0 H GLU A 14 -6.353 2.944 -9.360 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.160 3.455 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.575 2.933 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.861 4.522 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.155 5.552 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.798 3.949 -6.816 1.00 0.00 H new ATOM 246 N PHE A 15 -7.303 6.008 -10.048 1.00 0.00 N ATOM 247 CA PHE A 15 -7.411 7.428 -10.501 1.00 0.00 C ATOM 248 C PHE A 15 -6.724 7.621 -11.858 1.00 0.00 C ATOM 249 O PHE A 15 -7.240 8.301 -12.723 1.00 0.00 O ATOM 250 CB PHE A 15 -6.755 8.338 -9.461 1.00 0.00 C ATOM 251 CG PHE A 15 -6.991 9.783 -9.833 1.00 0.00 C ATOM 252 CD1 PHE A 15 -8.230 10.381 -9.573 1.00 0.00 C ATOM 253 CD2 PHE A 15 -5.968 10.527 -10.432 1.00 0.00 C ATOM 254 CE1 PHE A 15 -8.446 11.721 -9.915 1.00 0.00 C ATOM 255 CE2 PHE A 15 -6.184 11.866 -10.774 1.00 0.00 C ATOM 256 CZ PHE A 15 -7.424 12.464 -10.516 1.00 0.00 C ATOM 0 H PHE A 15 -6.385 5.579 -10.166 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.465 7.683 -10.610 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.167 8.134 -8.473 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.685 8.135 -9.408 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.019 9.808 -9.109 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.011 10.067 -10.630 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.402 12.182 -9.715 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.394 12.439 -11.237 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.591 13.498 -10.781 1.00 0.00 H new ATOM 266 N LEU A 16 -5.564 7.049 -12.051 1.00 0.00 N ATOM 267 CA LEU A 16 -4.851 7.228 -13.351 1.00 0.00 C ATOM 268 C LEU A 16 -4.642 5.873 -14.036 1.00 0.00 C ATOM 269 O LEU A 16 -3.571 5.306 -13.981 1.00 0.00 O ATOM 270 CB LEU A 16 -3.489 7.865 -13.083 1.00 0.00 C ATOM 271 CG LEU A 16 -3.609 9.383 -13.201 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.510 10.050 -12.373 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.463 9.795 -14.669 1.00 0.00 C ATOM 0 H LEU A 16 -5.081 6.467 -11.367 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.449 7.866 -14.002 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.137 7.593 -12.088 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.753 7.491 -13.795 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.584 9.698 -12.830 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.597 11.133 -12.458 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.614 9.759 -11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.534 9.734 -12.742 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.549 10.878 -14.753 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.489 9.478 -15.041 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.248 9.322 -15.259 1.00 0.00 H new ATOM 285 N PRO A 17 -5.655 5.362 -14.689 1.00 0.00 N ATOM 286 CA PRO A 17 -5.565 4.060 -15.403 1.00 0.00 C ATOM 287 C PRO A 17 -4.787 4.173 -16.718 1.00 0.00 C ATOM 288 O PRO A 17 -4.393 3.185 -17.304 1.00 0.00 O ATOM 289 CB PRO A 17 -7.023 3.680 -15.667 1.00 0.00 C ATOM 290 CG PRO A 17 -7.789 4.964 -15.652 1.00 0.00 C ATOM 291 CD PRO A 17 -6.991 5.968 -14.816 1.00 0.00 C ATOM 0 HA PRO A 17 -5.027 3.315 -14.817 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.127 3.174 -16.627 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.393 2.995 -14.904 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.931 5.337 -16.666 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.781 4.813 -15.226 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.941 6.941 -15.305 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.450 6.125 -13.840 1.00 0.00 H new ATOM 299 N ASP A 18 -4.562 5.371 -17.183 1.00 0.00 N ATOM 300 CA ASP A 18 -3.810 5.548 -18.457 1.00 0.00 C ATOM 301 C ASP A 18 -2.311 5.652 -18.161 1.00 0.00 C ATOM 302 O ASP A 18 -1.517 5.928 -19.037 1.00 0.00 O ATOM 303 CB ASP A 18 -4.282 6.824 -19.153 1.00 0.00 C ATOM 304 CG ASP A 18 -3.633 6.923 -20.534 1.00 0.00 C ATOM 305 OD1 ASP A 18 -2.954 5.984 -20.917 1.00 0.00 O ATOM 306 OD2 ASP A 18 -3.827 7.935 -21.188 1.00 0.00 O ATOM 0 H ASP A 18 -4.867 6.235 -16.735 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.991 4.691 -19.105 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.368 6.818 -19.250 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.020 7.696 -18.553 1.00 0.00 H new ATOM 311 N VAL A 19 -1.922 5.435 -16.932 1.00 0.00 N ATOM 312 CA VAL A 19 -0.475 5.524 -16.577 1.00 0.00 C ATOM 313 C VAL A 19 0.055 4.132 -16.224 1.00 0.00 C ATOM 314 O VAL A 19 -0.574 3.381 -15.507 1.00 0.00 O ATOM 315 CB VAL A 19 -0.303 6.451 -15.372 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.186 6.613 -15.060 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.906 7.820 -15.693 1.00 0.00 C ATOM 0 H VAL A 19 -2.544 5.200 -16.159 1.00 0.00 H new ATOM 0 HA VAL A 19 0.081 5.919 -17.427 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.811 6.021 -14.509 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.308 7.273 -14.202 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.618 5.639 -14.833 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.694 7.043 -15.923 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.784 8.481 -14.835 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.397 8.248 -16.557 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.967 7.707 -15.916 1.00 0.00 H new ATOM 327 N ALA A 20 1.210 3.784 -16.724 1.00 0.00 N ATOM 328 CA ALA A 20 1.781 2.443 -16.418 1.00 0.00 C ATOM 329 C ALA A 20 2.289 2.425 -14.964 1.00 0.00 C ATOM 330 O ALA A 20 3.187 3.167 -14.621 1.00 0.00 O ATOM 331 CB ALA A 20 2.958 2.174 -17.360 1.00 0.00 C ATOM 0 H ALA A 20 1.782 4.371 -17.331 1.00 0.00 H new ATOM 0 HA ALA A 20 1.015 1.679 -16.550 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.382 1.194 -17.142 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.610 2.198 -18.393 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.721 2.939 -17.217 1.00 0.00 H new ATOM 337 N PRO A 21 1.740 1.587 -14.107 1.00 0.00 N ATOM 338 CA PRO A 21 2.188 1.508 -12.685 1.00 0.00 C ATOM 339 C PRO A 21 3.707 1.337 -12.565 1.00 0.00 C ATOM 340 O PRO A 21 4.306 1.702 -11.574 1.00 0.00 O ATOM 341 CB PRO A 21 1.481 0.267 -12.137 1.00 0.00 C ATOM 342 CG PRO A 21 0.296 0.053 -13.017 1.00 0.00 C ATOM 343 CD PRO A 21 0.641 0.643 -14.384 1.00 0.00 C ATOM 0 HA PRO A 21 1.948 2.422 -12.143 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.142 -0.599 -12.154 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.177 0.416 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.066 -1.009 -13.102 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.587 0.538 -12.600 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.950 -0.132 -15.085 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.217 1.150 -14.826 1.00 0.00 H new ATOM 351 N ALA A 22 4.331 0.786 -13.570 1.00 0.00 N ATOM 352 CA ALA A 22 5.807 0.590 -13.515 1.00 0.00 C ATOM 353 C ALA A 22 6.508 1.950 -13.478 1.00 0.00 C ATOM 354 O ALA A 22 7.628 2.069 -13.023 1.00 0.00 O ATOM 355 CB ALA A 22 6.263 -0.184 -14.754 1.00 0.00 C ATOM 0 H ALA A 22 3.882 0.463 -14.427 1.00 0.00 H new ATOM 0 HA ALA A 22 6.063 0.028 -12.617 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.343 -0.328 -14.716 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.768 -1.155 -14.779 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.004 0.379 -15.651 1.00 0.00 H new ATOM 361 N ASP A 23 5.861 2.976 -13.960 1.00 0.00 N ATOM 362 CA ASP A 23 6.495 4.325 -13.959 1.00 0.00 C ATOM 363 C ASP A 23 6.275 5.007 -12.605 1.00 0.00 C ATOM 364 O ASP A 23 6.587 6.169 -12.431 1.00 0.00 O ATOM 365 CB ASP A 23 5.879 5.179 -15.072 1.00 0.00 C ATOM 366 CG ASP A 23 4.395 5.415 -14.785 1.00 0.00 C ATOM 367 OD1 ASP A 23 3.971 5.135 -13.677 1.00 0.00 O ATOM 368 OD2 ASP A 23 3.705 5.872 -15.682 1.00 0.00 O ATOM 0 H ASP A 23 4.921 2.938 -14.354 1.00 0.00 H new ATOM 0 HA ASP A 23 7.566 4.217 -14.132 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.401 6.133 -15.142 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.998 4.680 -16.034 1.00 0.00 H new ATOM 373 N VAL A 24 5.742 4.299 -11.646 1.00 0.00 N ATOM 374 CA VAL A 24 5.508 4.918 -10.309 1.00 0.00 C ATOM 375 C VAL A 24 6.561 4.413 -9.325 1.00 0.00 C ATOM 376 O VAL A 24 6.800 3.227 -9.217 1.00 0.00 O ATOM 377 CB VAL A 24 4.128 4.515 -9.790 1.00 0.00 C ATOM 378 CG1 VAL A 24 3.764 5.379 -8.582 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.087 4.708 -10.894 1.00 0.00 C ATOM 0 H VAL A 24 5.459 3.323 -11.729 1.00 0.00 H new ATOM 0 HA VAL A 24 5.569 6.002 -10.403 1.00 0.00 H new ATOM 0 HB VAL A 24 4.145 3.467 -9.492 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.780 5.091 -8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.504 5.234 -7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.748 6.428 -8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.104 4.420 -10.522 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.068 5.755 -11.197 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.346 4.087 -11.751 1.00 0.00 H new ATOM 389 N ASP A 25 7.184 5.296 -8.598 1.00 0.00 N ATOM 390 CA ASP A 25 8.206 4.845 -7.618 1.00 0.00 C ATOM 391 C ASP A 25 7.525 4.566 -6.278 1.00 0.00 C ATOM 392 O ASP A 25 6.924 5.440 -5.685 1.00 0.00 O ATOM 393 CB ASP A 25 9.255 5.943 -7.434 1.00 0.00 C ATOM 394 CG ASP A 25 10.028 6.136 -8.740 1.00 0.00 C ATOM 395 OD1 ASP A 25 9.911 5.285 -9.606 1.00 0.00 O ATOM 396 OD2 ASP A 25 10.724 7.133 -8.852 1.00 0.00 O ATOM 0 H ASP A 25 7.031 6.304 -8.640 1.00 0.00 H new ATOM 0 HA ASP A 25 8.689 3.939 -7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.773 6.876 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.940 5.675 -6.630 1.00 0.00 H new ATOM 401 N VAL A 26 7.618 3.362 -5.790 1.00 0.00 N ATOM 402 CA VAL A 26 6.982 3.045 -4.486 1.00 0.00 C ATOM 403 C VAL A 26 7.870 3.566 -3.357 1.00 0.00 C ATOM 404 O VAL A 26 7.584 3.382 -2.191 1.00 0.00 O ATOM 405 CB VAL A 26 6.827 1.530 -4.359 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.046 0.994 -5.559 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.211 0.880 -4.322 1.00 0.00 C ATOM 0 H VAL A 26 8.106 2.586 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 26 6.001 3.517 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 26 6.288 1.295 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.936 -0.087 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.060 1.458 -5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.585 1.228 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.103 -0.201 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.748 1.115 -5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.770 1.262 -3.467 1.00 0.00 H new ATOM 417 N ASP A 27 8.944 4.229 -3.696 1.00 0.00 N ATOM 418 CA ASP A 27 9.848 4.779 -2.652 1.00 0.00 C ATOM 419 C ASP A 27 9.304 6.124 -2.177 1.00 0.00 C ATOM 420 O ASP A 27 9.625 6.595 -1.104 1.00 0.00 O ATOM 421 CB ASP A 27 11.245 4.969 -3.245 1.00 0.00 C ATOM 422 CG ASP A 27 11.849 3.605 -3.580 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.297 2.609 -3.139 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.853 3.577 -4.273 1.00 0.00 O ATOM 0 H ASP A 27 9.233 4.412 -4.657 1.00 0.00 H new ATOM 0 HA ASP A 27 9.903 4.091 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.189 5.584 -4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.883 5.497 -2.536 1.00 0.00 H new ATOM 429 N LEU A 28 8.477 6.744 -2.972 1.00 0.00 N ATOM 430 CA LEU A 28 7.901 8.057 -2.577 1.00 0.00 C ATOM 431 C LEU A 28 6.617 7.815 -1.790 1.00 0.00 C ATOM 432 O LEU A 28 5.819 6.966 -2.133 1.00 0.00 O ATOM 433 CB LEU A 28 7.589 8.874 -3.831 1.00 0.00 C ATOM 434 CG LEU A 28 7.067 10.258 -3.432 1.00 0.00 C ATOM 435 CD1 LEU A 28 8.192 11.068 -2.783 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.572 10.989 -4.681 1.00 0.00 C ATOM 0 H LEU A 28 8.175 6.395 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 28 8.613 8.605 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.486 8.976 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.846 8.356 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 28 6.248 10.145 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.816 12.052 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.549 10.547 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.013 11.183 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.199 11.975 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.394 11.099 -5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.769 10.415 -5.144 1.00 0.00 H new ATOM 448 N ASP A 29 6.411 8.545 -0.731 1.00 0.00 N ATOM 449 CA ASP A 29 5.180 8.334 0.071 1.00 0.00 C ATOM 450 C ASP A 29 3.957 8.519 -0.822 1.00 0.00 C ATOM 451 O ASP A 29 3.882 9.429 -1.625 1.00 0.00 O ATOM 452 CB ASP A 29 5.136 9.336 1.226 1.00 0.00 C ATOM 453 CG ASP A 29 6.274 9.040 2.204 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.861 7.976 2.094 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.538 9.880 3.048 1.00 0.00 O ATOM 0 H ASP A 29 7.038 9.273 -0.389 1.00 0.00 H new ATOM 0 HA ASP A 29 5.181 7.323 0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.227 10.352 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.176 9.273 1.739 1.00 0.00 H new ATOM 460 N LEU A 30 3.005 7.644 -0.690 1.00 0.00 N ATOM 461 CA LEU A 30 1.779 7.722 -1.524 1.00 0.00 C ATOM 462 C LEU A 30 0.984 8.983 -1.177 1.00 0.00 C ATOM 463 O LEU A 30 0.400 9.614 -2.032 1.00 0.00 O ATOM 464 CB LEU A 30 0.922 6.491 -1.237 1.00 0.00 C ATOM 465 CG LEU A 30 0.094 6.139 -2.468 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.711 4.873 -2.185 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.855 7.291 -2.792 1.00 0.00 C ATOM 0 H LEU A 30 3.025 6.867 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 30 2.054 7.759 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.558 5.650 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.265 6.684 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 30 0.754 5.969 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.305 4.616 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.031 4.053 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.373 5.045 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.446 7.039 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.520 7.464 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.277 8.194 -2.990 1.00 0.00 H new ATOM 479 N VAL A 31 0.938 9.343 0.072 1.00 0.00 N ATOM 480 CA VAL A 31 0.159 10.550 0.468 1.00 0.00 C ATOM 481 C VAL A 31 0.750 11.802 -0.179 1.00 0.00 C ATOM 482 O VAL A 31 0.035 12.713 -0.545 1.00 0.00 O ATOM 483 CB VAL A 31 0.178 10.704 1.982 1.00 0.00 C ATOM 484 CG1 VAL A 31 -0.483 12.031 2.352 1.00 0.00 C ATOM 485 CG2 VAL A 31 -0.599 9.548 2.610 1.00 0.00 C ATOM 0 H VAL A 31 1.405 8.856 0.837 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.869 10.427 0.127 1.00 0.00 H new ATOM 0 HB VAL A 31 1.204 10.693 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.475 12.152 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.066 12.852 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.512 12.037 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.590 9.651 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.628 9.565 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.133 8.603 2.331 1.00 0.00 H new ATOM 495 N ASP A 32 2.041 11.861 -0.328 1.00 0.00 N ATOM 496 CA ASP A 32 2.648 13.065 -0.955 1.00 0.00 C ATOM 497 C ASP A 32 1.944 13.311 -2.286 1.00 0.00 C ATOM 498 O ASP A 32 1.752 14.435 -2.708 1.00 0.00 O ATOM 499 CB ASP A 32 4.140 12.829 -1.195 1.00 0.00 C ATOM 500 CG ASP A 32 4.869 12.764 0.148 1.00 0.00 C ATOM 501 OD1 ASP A 32 4.255 13.089 1.150 1.00 0.00 O ATOM 502 OD2 ASP A 32 6.030 12.390 0.151 1.00 0.00 O ATOM 0 H ASP A 32 2.698 11.134 -0.045 1.00 0.00 H new ATOM 0 HA ASP A 32 2.534 13.929 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.288 11.901 -1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.552 13.632 -1.806 1.00 0.00 H new ATOM 507 N ASN A 33 1.549 12.259 -2.944 1.00 0.00 N ATOM 508 CA ASN A 33 0.844 12.403 -4.245 1.00 0.00 C ATOM 509 C ASN A 33 -0.564 12.958 -4.015 1.00 0.00 C ATOM 510 O ASN A 33 -1.087 13.704 -4.818 1.00 0.00 O ATOM 511 CB ASN A 33 0.735 11.031 -4.900 1.00 0.00 C ATOM 512 CG ASN A 33 2.123 10.550 -5.324 1.00 0.00 C ATOM 513 OD1 ASN A 33 3.047 11.332 -5.419 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.309 9.286 -5.587 1.00 0.00 N ATOM 0 H ASN A 33 1.686 11.297 -2.633 1.00 0.00 H new ATOM 0 HA ASN A 33 1.401 13.086 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.290 10.320 -4.204 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.077 11.083 -5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.231 8.955 -5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.533 8.629 -5.507 1.00 0.00 H new ATOM 521 N GLY A 34 -1.184 12.589 -2.928 1.00 0.00 N ATOM 522 CA GLY A 34 -2.563 13.084 -2.649 1.00 0.00 C ATOM 523 C GLY A 34 -3.567 12.190 -3.373 1.00 0.00 C ATOM 524 O GLY A 34 -4.753 12.458 -3.395 1.00 0.00 O ATOM 0 H GLY A 34 -0.796 11.966 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.756 13.076 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.668 14.116 -2.984 1.00 0.00 H new ATOM 528 N VAL A 35 -3.101 11.124 -3.960 1.00 0.00 N ATOM 529 CA VAL A 35 -4.023 10.205 -4.679 1.00 0.00 C ATOM 530 C VAL A 35 -5.030 9.632 -3.682 1.00 0.00 C ATOM 531 O VAL A 35 -6.178 9.402 -4.004 1.00 0.00 O ATOM 532 CB VAL A 35 -3.222 9.065 -5.310 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.182 8.039 -5.914 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.320 9.626 -6.412 1.00 0.00 C ATOM 0 H VAL A 35 -2.119 10.850 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.549 10.750 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.610 8.585 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.611 7.227 -6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.827 7.639 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.794 8.519 -6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.748 8.815 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.933 10.105 -7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.635 10.358 -5.984 1.00 0.00 H new ATOM 544 N ILE A 36 -4.605 9.397 -2.470 1.00 0.00 N ATOM 545 CA ILE A 36 -5.535 8.838 -1.452 1.00 0.00 C ATOM 546 C ILE A 36 -6.408 9.954 -0.880 1.00 0.00 C ATOM 547 O ILE A 36 -5.940 10.833 -0.183 1.00 0.00 O ATOM 548 CB ILE A 36 -4.729 8.195 -0.323 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.918 7.026 -0.880 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.676 7.673 0.750 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.959 6.497 0.191 1.00 0.00 C ATOM 0 H ILE A 36 -3.654 9.568 -2.143 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.171 8.087 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.060 8.939 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.588 6.230 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.356 7.348 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.099 7.215 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.263 8.499 1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.345 6.930 0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.385 5.664 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.279 7.293 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.530 6.158 1.055 1.00 0.00 H new ATOM 563 N ASP A 37 -7.677 9.917 -1.171 1.00 0.00 N ATOM 564 CA ASP A 37 -8.604 10.955 -0.657 1.00 0.00 C ATOM 565 C ASP A 37 -9.572 10.308 0.335 1.00 0.00 C ATOM 566 O ASP A 37 -9.365 9.197 0.781 1.00 0.00 O ATOM 567 CB ASP A 37 -9.390 11.543 -1.827 1.00 0.00 C ATOM 568 CG ASP A 37 -8.449 12.353 -2.721 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.329 12.594 -2.303 1.00 0.00 O ATOM 570 OD2 ASP A 37 -8.865 12.718 -3.808 1.00 0.00 O ATOM 0 H ASP A 37 -8.115 9.201 -1.751 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.043 11.746 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.857 10.744 -2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.193 12.180 -1.456 1.00 0.00 H new ATOM 575 N ALA A 38 -10.629 10.987 0.681 1.00 0.00 N ATOM 576 CA ALA A 38 -11.605 10.396 1.640 1.00 0.00 C ATOM 577 C ALA A 38 -12.251 9.175 0.991 1.00 0.00 C ATOM 578 O ALA A 38 -12.215 8.080 1.522 1.00 0.00 O ATOM 579 CB ALA A 38 -12.683 11.429 1.978 1.00 0.00 C ATOM 0 H ALA A 38 -10.860 11.922 0.344 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.094 10.103 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.396 10.995 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.218 12.306 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.204 11.723 1.067 1.00 0.00 H new ATOM 585 N LEU A 39 -12.812 9.347 -0.171 1.00 0.00 N ATOM 586 CA LEU A 39 -13.427 8.196 -0.874 1.00 0.00 C ATOM 587 C LEU A 39 -12.295 7.295 -1.337 1.00 0.00 C ATOM 588 O LEU A 39 -12.413 6.087 -1.376 1.00 0.00 O ATOM 589 CB LEU A 39 -14.225 8.690 -2.079 1.00 0.00 C ATOM 590 CG LEU A 39 -15.238 9.740 -1.628 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.169 10.086 -2.791 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.060 9.191 -0.460 1.00 0.00 C ATOM 0 H LEU A 39 -12.870 10.238 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.106 7.656 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.552 9.116 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.739 7.855 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.710 10.638 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.892 10.835 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.583 10.481 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.697 9.189 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.783 9.941 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.588 8.292 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.396 8.948 0.370 1.00 0.00 H new ATOM 604 N GLY A 40 -11.185 7.889 -1.674 1.00 0.00 N ATOM 605 CA GLY A 40 -10.021 7.092 -2.121 1.00 0.00 C ATOM 606 C GLY A 40 -9.628 6.134 -1.001 1.00 0.00 C ATOM 607 O GLY A 40 -9.322 4.980 -1.231 1.00 0.00 O ATOM 0 H GLY A 40 -11.038 8.898 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.268 6.536 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.186 7.748 -2.368 1.00 0.00 H new ATOM 611 N LEU A 41 -9.653 6.603 0.215 1.00 0.00 N ATOM 612 CA LEU A 41 -9.301 5.727 1.359 1.00 0.00 C ATOM 613 C LEU A 41 -10.348 4.621 1.482 1.00 0.00 C ATOM 614 O LEU A 41 -10.031 3.474 1.723 1.00 0.00 O ATOM 615 CB LEU A 41 -9.276 6.566 2.638 1.00 0.00 C ATOM 616 CG LEU A 41 -8.793 5.713 3.810 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.903 6.562 4.717 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.999 5.214 4.607 1.00 0.00 C ATOM 0 H LEU A 41 -9.904 7.560 0.463 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.320 5.278 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.618 7.425 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.272 6.956 2.847 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.228 4.860 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.556 5.958 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.045 6.923 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.473 7.412 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.656 4.605 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.563 6.067 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.639 4.614 3.960 1.00 0.00 H new ATOM 630 N LEU A 42 -11.596 4.961 1.315 1.00 0.00 N ATOM 631 CA LEU A 42 -12.668 3.931 1.419 1.00 0.00 C ATOM 632 C LEU A 42 -12.451 2.864 0.347 1.00 0.00 C ATOM 633 O LEU A 42 -12.528 1.680 0.608 1.00 0.00 O ATOM 634 CB LEU A 42 -14.025 4.606 1.190 1.00 0.00 C ATOM 635 CG LEU A 42 -15.151 3.573 1.277 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.745 3.576 2.686 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.236 3.924 0.258 1.00 0.00 C ATOM 0 H LEU A 42 -11.920 5.906 1.111 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.642 3.467 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.181 5.388 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.039 5.088 0.213 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.755 2.581 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.546 2.839 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.968 3.326 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.144 4.565 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.041 3.191 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.632 4.916 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.809 3.916 -0.745 1.00 0.00 H new ATOM 649 N LYS A 43 -12.186 3.276 -0.853 1.00 0.00 N ATOM 650 CA LYS A 43 -11.970 2.294 -1.946 1.00 0.00 C ATOM 651 C LYS A 43 -10.780 1.398 -1.598 1.00 0.00 C ATOM 652 O LYS A 43 -10.763 0.221 -1.901 1.00 0.00 O ATOM 653 CB LYS A 43 -11.688 3.040 -3.247 1.00 0.00 C ATOM 654 CG LYS A 43 -12.935 3.818 -3.673 1.00 0.00 C ATOM 655 CD LYS A 43 -12.685 4.479 -5.030 1.00 0.00 C ATOM 656 CE LYS A 43 -13.884 5.353 -5.402 1.00 0.00 C ATOM 657 NZ LYS A 43 -14.040 6.437 -4.392 1.00 0.00 N ATOM 0 H LYS A 43 -12.109 4.255 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.861 1.678 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.849 3.723 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.402 2.335 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.792 3.147 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.177 4.575 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.779 5.084 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.526 3.717 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.741 5.783 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.790 4.748 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.457 7.275 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.663 6.111 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.109 6.683 -4.000 1.00 0.00 H new ATOM 671 N VAL A 44 -9.783 1.950 -0.963 1.00 0.00 N ATOM 672 CA VAL A 44 -8.589 1.142 -0.592 1.00 0.00 C ATOM 673 C VAL A 44 -9.001 0.026 0.367 1.00 0.00 C ATOM 674 O VAL A 44 -8.605 -1.113 0.226 1.00 0.00 O ATOM 675 CB VAL A 44 -7.564 2.045 0.096 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.435 1.190 0.673 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.987 3.029 -0.924 1.00 0.00 C ATOM 0 H VAL A 44 -9.745 2.930 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.153 0.705 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.049 2.597 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.705 1.834 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.845 0.488 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.949 0.638 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.256 3.673 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.502 2.476 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.791 3.639 -1.336 1.00 0.00 H new ATOM 687 N ILE A 45 -9.786 0.357 1.350 1.00 0.00 N ATOM 688 CA ILE A 45 -10.228 -0.659 2.341 1.00 0.00 C ATOM 689 C ILE A 45 -11.168 -1.688 1.701 1.00 0.00 C ATOM 690 O ILE A 45 -11.126 -2.854 2.022 1.00 0.00 O ATOM 691 CB ILE A 45 -10.955 0.059 3.481 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.955 0.409 4.586 1.00 0.00 C ATOM 693 CG2 ILE A 45 -12.049 -0.842 4.052 1.00 0.00 C ATOM 694 CD1 ILE A 45 -8.940 1.424 4.060 1.00 0.00 C ATOM 0 H ILE A 45 -10.144 1.298 1.511 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.354 -1.191 2.716 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.408 0.972 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.480 0.819 5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.442 -0.491 4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.561 -0.323 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.765 -1.086 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.602 -1.760 4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.230 1.671 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.405 0.998 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.460 2.328 3.744 1.00 0.00 H new ATOM 706 N ALA A 46 -12.048 -1.271 0.838 1.00 0.00 N ATOM 707 CA ALA A 46 -13.012 -2.242 0.239 1.00 0.00 C ATOM 708 C ALA A 46 -12.318 -3.264 -0.671 1.00 0.00 C ATOM 709 O ALA A 46 -12.545 -4.455 -0.557 1.00 0.00 O ATOM 710 CB ALA A 46 -14.044 -1.470 -0.580 1.00 0.00 C ATOM 0 H ALA A 46 -12.145 -0.307 0.520 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.484 -2.790 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.754 -2.169 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.576 -0.774 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.540 -0.915 -1.371 1.00 0.00 H new ATOM 716 N TRP A 47 -11.498 -2.829 -1.585 1.00 0.00 N ATOM 717 CA TRP A 47 -10.839 -3.809 -2.501 1.00 0.00 C ATOM 718 C TRP A 47 -9.679 -4.511 -1.796 1.00 0.00 C ATOM 719 O TRP A 47 -9.523 -5.711 -1.884 1.00 0.00 O ATOM 720 CB TRP A 47 -10.317 -3.084 -3.743 1.00 0.00 C ATOM 721 CG TRP A 47 -8.855 -3.356 -3.905 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.310 -4.549 -4.234 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.748 -2.430 -3.753 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.933 -4.413 -4.280 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.539 -3.122 -3.991 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.682 -1.069 -3.430 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.302 -2.480 -3.907 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.442 -0.416 -3.346 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.254 -1.121 -3.581 1.00 0.00 C ATOM 0 H TRP A 47 -11.255 -1.850 -1.739 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.575 -4.557 -2.794 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.860 -3.419 -4.627 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.490 -2.012 -3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.859 -5.459 -4.429 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.289 -5.173 -4.500 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.592 -0.518 -3.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.390 -3.028 -4.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.404 0.635 -3.099 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.302 -0.615 -3.510 1.00 0.00 H new ATOM 740 N LEU A 48 -8.852 -3.773 -1.117 1.00 0.00 N ATOM 741 CA LEU A 48 -7.689 -4.402 -0.432 1.00 0.00 C ATOM 742 C LEU A 48 -8.171 -5.458 0.565 1.00 0.00 C ATOM 743 O LEU A 48 -7.632 -6.544 0.640 1.00 0.00 O ATOM 744 CB LEU A 48 -6.917 -3.313 0.318 1.00 0.00 C ATOM 745 CG LEU A 48 -5.624 -3.882 0.895 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.524 -3.825 -0.166 1.00 0.00 C ATOM 747 CD2 LEU A 48 -5.206 -3.049 2.109 1.00 0.00 C ATOM 0 H LEU A 48 -8.929 -2.762 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.048 -4.883 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.690 -2.488 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.534 -2.908 1.120 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.781 -4.917 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.600 -4.231 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.824 -4.413 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.363 -2.790 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.282 -3.451 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.046 -2.015 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.991 -3.087 2.864 1.00 0.00 H new ATOM 759 N GLU A 49 -9.176 -5.151 1.333 1.00 0.00 N ATOM 760 CA GLU A 49 -9.682 -6.136 2.326 1.00 0.00 C ATOM 761 C GLU A 49 -10.372 -7.296 1.601 1.00 0.00 C ATOM 762 O GLU A 49 -10.301 -8.434 2.019 1.00 0.00 O ATOM 763 CB GLU A 49 -10.674 -5.433 3.243 1.00 0.00 C ATOM 764 CG GLU A 49 -9.943 -4.344 4.031 1.00 0.00 C ATOM 765 CD GLU A 49 -8.859 -4.965 4.917 1.00 0.00 C ATOM 766 OE1 GLU A 49 -9.205 -5.757 5.777 1.00 0.00 O ATOM 767 OE2 GLU A 49 -7.702 -4.636 4.719 1.00 0.00 O ATOM 0 H GLU A 49 -9.670 -4.259 1.316 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.854 -6.535 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.482 -4.995 2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.128 -6.151 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.494 -3.628 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.653 -3.792 4.647 1.00 0.00 H new ATOM 774 N ASP A 50 -11.051 -7.009 0.524 1.00 0.00 N ATOM 775 CA ASP A 50 -11.766 -8.081 -0.228 1.00 0.00 C ATOM 776 C ASP A 50 -10.788 -9.131 -0.774 1.00 0.00 C ATOM 777 O ASP A 50 -11.089 -10.308 -0.805 1.00 0.00 O ATOM 778 CB ASP A 50 -12.518 -7.447 -1.396 1.00 0.00 C ATOM 779 CG ASP A 50 -13.418 -8.494 -2.055 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.499 -9.592 -1.529 1.00 0.00 O ATOM 781 OD2 ASP A 50 -14.013 -8.180 -3.073 1.00 0.00 O ATOM 0 H ASP A 50 -11.142 -6.073 0.130 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.456 -8.578 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.117 -6.608 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.811 -7.050 -2.124 1.00 0.00 H new ATOM 786 N ARG A 51 -9.640 -8.719 -1.233 1.00 0.00 N ATOM 787 CA ARG A 51 -8.671 -9.698 -1.807 1.00 0.00 C ATOM 788 C ARG A 51 -8.273 -10.763 -0.782 1.00 0.00 C ATOM 789 O ARG A 51 -8.113 -11.920 -1.119 1.00 0.00 O ATOM 790 CB ARG A 51 -7.422 -8.960 -2.274 1.00 0.00 C ATOM 791 CG ARG A 51 -7.773 -8.073 -3.468 1.00 0.00 C ATOM 792 CD ARG A 51 -6.495 -7.478 -4.056 1.00 0.00 C ATOM 793 NE ARG A 51 -5.753 -6.742 -2.993 1.00 0.00 N ATOM 794 CZ ARG A 51 -4.466 -6.559 -3.103 1.00 0.00 C ATOM 795 NH1 ARG A 51 -3.830 -7.014 -4.147 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.816 -5.922 -2.169 1.00 0.00 N ATOM 0 H ARG A 51 -9.329 -7.748 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.154 -10.197 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.020 -8.354 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.647 -9.674 -2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.297 -8.656 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.448 -7.276 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.870 -8.269 -4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.739 -6.804 -4.877 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.252 -6.381 -2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.339 -7.513 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.824 -6.871 -4.233 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.314 -5.567 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.810 -5.779 -2.255 1.00 0.00 H new ATOM 810 N PHE A 52 -8.095 -10.399 0.456 1.00 0.00 N ATOM 811 CA PHE A 52 -7.690 -11.419 1.463 1.00 0.00 C ATOM 812 C PHE A 52 -8.923 -12.057 2.107 1.00 0.00 C ATOM 813 O PHE A 52 -8.812 -12.956 2.916 1.00 0.00 O ATOM 814 CB PHE A 52 -6.812 -10.758 2.526 1.00 0.00 C ATOM 815 CG PHE A 52 -5.418 -10.587 1.975 1.00 0.00 C ATOM 816 CD1 PHE A 52 -5.118 -9.492 1.155 1.00 0.00 C ATOM 817 CD2 PHE A 52 -4.426 -11.526 2.278 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.826 -9.337 0.639 1.00 0.00 C ATOM 819 CE2 PHE A 52 -3.134 -11.371 1.762 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.834 -10.276 0.942 1.00 0.00 C ATOM 0 H PHE A 52 -8.211 -9.450 0.812 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.123 -12.207 0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.227 -9.790 2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.788 -11.370 3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.884 -8.767 0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.657 -12.371 2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.595 -8.492 0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.368 -12.096 1.996 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.837 -10.156 0.544 1.00 0.00 H new ATOM 830 N GLY A 53 -10.097 -11.613 1.752 1.00 0.00 N ATOM 831 CA GLY A 53 -11.325 -12.211 2.345 1.00 0.00 C ATOM 832 C GLY A 53 -11.463 -11.725 3.781 1.00 0.00 C ATOM 833 O GLY A 53 -11.999 -12.407 4.632 1.00 0.00 O ATOM 0 H GLY A 53 -10.259 -10.864 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.202 -11.926 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.265 -13.299 2.319 1.00 0.00 H new ATOM 837 N ILE A 54 -10.967 -10.552 4.056 1.00 0.00 N ATOM 838 CA ILE A 54 -11.047 -10.008 5.436 1.00 0.00 C ATOM 839 C ILE A 54 -11.973 -8.790 5.459 1.00 0.00 C ATOM 840 O ILE A 54 -12.142 -8.108 4.468 1.00 0.00 O ATOM 841 CB ILE A 54 -9.644 -9.596 5.873 1.00 0.00 C ATOM 842 CG1 ILE A 54 -9.101 -8.574 4.874 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.732 -10.825 5.897 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.713 -8.111 5.309 1.00 0.00 C ATOM 0 H ILE A 54 -10.507 -9.944 3.378 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.444 -10.764 6.114 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.678 -9.159 6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.051 -9.016 3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.776 -7.720 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.731 -10.529 6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.129 -11.559 6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.686 -11.264 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.331 -7.383 4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.775 -7.652 6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.040 -8.967 5.349 1.00 0.00 H new ATOM 856 N ALA A 55 -12.575 -8.512 6.583 1.00 0.00 N ATOM 857 CA ALA A 55 -13.489 -7.337 6.667 1.00 0.00 C ATOM 858 C ALA A 55 -12.767 -6.179 7.360 1.00 0.00 C ATOM 859 O ALA A 55 -12.059 -6.367 8.329 1.00 0.00 O ATOM 860 CB ALA A 55 -14.734 -7.716 7.471 1.00 0.00 C ATOM 0 H ALA A 55 -12.474 -9.047 7.446 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.784 -7.033 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.403 -6.857 7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.248 -8.541 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.440 -8.020 8.476 1.00 0.00 H new ATOM 866 N ALA A 56 -12.940 -4.983 6.869 1.00 0.00 N ATOM 867 CA ALA A 56 -12.265 -3.812 7.498 1.00 0.00 C ATOM 868 C ALA A 56 -12.802 -3.608 8.915 1.00 0.00 C ATOM 869 O ALA A 56 -12.107 -3.134 9.791 1.00 0.00 O ATOM 870 CB ALA A 56 -12.537 -2.559 6.665 1.00 0.00 C ATOM 0 H ALA A 56 -13.520 -4.765 6.059 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.191 -3.995 7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.044 -1.702 7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.151 -2.702 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.611 -2.378 6.620 1.00 0.00 H new ATOM 876 N ASP A 57 -14.037 -3.955 9.148 1.00 0.00 N ATOM 877 CA ASP A 57 -14.617 -3.774 10.509 1.00 0.00 C ATOM 878 C ASP A 57 -13.748 -4.492 11.543 1.00 0.00 C ATOM 879 O ASP A 57 -13.587 -4.035 12.657 1.00 0.00 O ATOM 880 CB ASP A 57 -16.030 -4.353 10.540 1.00 0.00 C ATOM 881 CG ASP A 57 -16.718 -3.953 11.847 1.00 0.00 C ATOM 882 OD1 ASP A 57 -16.127 -3.193 12.596 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.825 -4.412 12.075 1.00 0.00 O ATOM 0 H ASP A 57 -14.670 -4.356 8.456 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.652 -2.711 10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.603 -3.987 9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.991 -5.439 10.455 1.00 0.00 H new ATOM 888 N ASP A 58 -13.196 -5.619 11.189 1.00 0.00 N ATOM 889 CA ASP A 58 -12.346 -6.370 12.157 1.00 0.00 C ATOM 890 C ASP A 58 -11.193 -5.487 12.643 1.00 0.00 C ATOM 891 O ASP A 58 -10.836 -5.506 13.804 1.00 0.00 O ATOM 892 CB ASP A 58 -11.779 -7.614 11.475 1.00 0.00 C ATOM 893 CG ASP A 58 -12.915 -8.593 11.170 1.00 0.00 C ATOM 894 OD1 ASP A 58 -14.002 -8.385 11.682 1.00 0.00 O ATOM 895 OD2 ASP A 58 -12.677 -9.533 10.430 1.00 0.00 O ATOM 0 H ASP A 58 -13.296 -6.053 10.271 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.955 -6.662 13.012 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.268 -7.335 10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.039 -8.089 12.119 1.00 0.00 H new ATOM 900 N VAL A 59 -10.608 -4.717 11.767 1.00 0.00 N ATOM 901 CA VAL A 59 -9.478 -3.837 12.186 1.00 0.00 C ATOM 902 C VAL A 59 -9.643 -2.450 11.562 1.00 0.00 C ATOM 903 O VAL A 59 -10.063 -2.314 10.431 1.00 0.00 O ATOM 904 CB VAL A 59 -8.156 -4.450 11.719 1.00 0.00 C ATOM 905 CG1 VAL A 59 -8.112 -4.466 10.190 1.00 0.00 C ATOM 906 CG2 VAL A 59 -6.992 -3.613 12.253 1.00 0.00 C ATOM 0 H VAL A 59 -10.862 -4.658 10.781 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.477 -3.746 13.272 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.075 -5.470 12.095 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.170 -4.903 9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.942 -5.060 9.808 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.192 -3.446 9.813 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.049 -4.048 11.922 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.074 -2.594 11.876 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.023 -3.600 13.342 1.00 0.00 H new ATOM 916 N GLU A 60 -9.311 -1.417 12.288 1.00 0.00 N ATOM 917 CA GLU A 60 -9.447 -0.043 11.730 1.00 0.00 C ATOM 918 C GLU A 60 -8.073 0.466 11.290 1.00 0.00 C ATOM 919 O GLU A 60 -7.086 0.291 11.976 1.00 0.00 O ATOM 920 CB GLU A 60 -10.016 0.889 12.803 1.00 0.00 C ATOM 921 CG GLU A 60 -11.394 0.395 13.230 1.00 0.00 C ATOM 922 CD GLU A 60 -11.995 1.370 14.244 1.00 0.00 C ATOM 923 OE1 GLU A 60 -11.277 2.252 14.685 1.00 0.00 O ATOM 924 OE2 GLU A 60 -13.163 1.219 14.560 1.00 0.00 O ATOM 0 H GLU A 60 -8.952 -1.466 13.242 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.119 -0.064 10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.347 0.921 13.663 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.087 1.906 12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.047 0.310 12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.315 -0.600 13.669 1.00 0.00 H new ATOM 931 N LEU A 61 -8.001 1.092 10.147 1.00 0.00 N ATOM 932 CA LEU A 61 -6.701 1.609 9.657 1.00 0.00 C ATOM 933 C LEU A 61 -6.635 3.125 9.867 1.00 0.00 C ATOM 934 O LEU A 61 -7.620 3.822 9.735 1.00 0.00 O ATOM 935 CB LEU A 61 -6.564 1.293 8.167 1.00 0.00 C ATOM 936 CG LEU A 61 -6.504 -0.222 7.963 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.919 -0.784 7.791 1.00 0.00 C ATOM 938 CD2 LEU A 61 -5.679 -0.535 6.714 1.00 0.00 C ATOM 0 H LEU A 61 -8.795 1.266 9.531 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.889 1.136 10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.408 1.710 7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.663 1.759 7.768 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.040 -0.681 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.867 -1.863 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.508 -0.565 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.390 -0.324 6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.636 -1.614 6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.144 -0.069 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.669 -0.145 6.838 1.00 0.00 H new ATOM 950 N SER A 62 -5.479 3.637 10.190 1.00 0.00 N ATOM 951 CA SER A 62 -5.344 5.099 10.404 1.00 0.00 C ATOM 952 C SER A 62 -4.668 5.711 9.174 1.00 0.00 C ATOM 953 O SER A 62 -3.923 5.048 8.480 1.00 0.00 O ATOM 954 CB SER A 62 -4.477 5.334 11.640 1.00 0.00 C ATOM 955 OG SER A 62 -5.058 6.353 12.443 1.00 0.00 O ATOM 0 H SER A 62 -4.621 3.100 10.315 1.00 0.00 H new ATOM 0 HA SER A 62 -6.321 5.559 10.552 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.387 4.412 12.214 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.470 5.623 11.340 1.00 0.00 H new ATOM 0 HG SER A 62 -4.502 6.501 13.236 1.00 0.00 H new ATOM 961 N PRO A 63 -4.921 6.963 8.900 1.00 0.00 N ATOM 962 CA PRO A 63 -4.321 7.657 7.727 1.00 0.00 C ATOM 963 C PRO A 63 -2.792 7.538 7.715 1.00 0.00 C ATOM 964 O PRO A 63 -2.160 7.624 6.682 1.00 0.00 O ATOM 965 CB PRO A 63 -4.742 9.125 7.888 1.00 0.00 C ATOM 966 CG PRO A 63 -5.330 9.247 9.258 1.00 0.00 C ATOM 967 CD PRO A 63 -5.797 7.854 9.666 1.00 0.00 C ATOM 0 HA PRO A 63 -4.660 7.219 6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.886 9.790 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.469 9.406 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.591 9.628 9.963 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.164 9.949 9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.693 7.694 10.739 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.847 7.694 9.420 1.00 0.00 H new ATOM 975 N GLU A 64 -2.199 7.335 8.860 1.00 0.00 N ATOM 976 CA GLU A 64 -0.720 7.202 8.928 1.00 0.00 C ATOM 977 C GLU A 64 -0.305 5.881 8.295 1.00 0.00 C ATOM 978 O GLU A 64 0.782 5.746 7.773 1.00 0.00 O ATOM 979 CB GLU A 64 -0.279 7.232 10.388 1.00 0.00 C ATOM 980 CG GLU A 64 -0.683 8.558 11.017 1.00 0.00 C ATOM 981 CD GLU A 64 -0.156 8.628 12.452 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.331 7.619 12.932 1.00 0.00 O ATOM 983 OE2 GLU A 64 -0.250 9.690 13.046 1.00 0.00 O ATOM 0 H GLU A 64 -2.681 7.255 9.756 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.250 8.025 8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.735 6.406 10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.801 7.100 10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.284 9.386 10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.768 8.658 11.012 1.00 0.00 H new ATOM 990 N HIS A 65 -1.161 4.904 8.338 1.00 0.00 N ATOM 991 CA HIS A 65 -0.814 3.592 7.740 1.00 0.00 C ATOM 992 C HIS A 65 -0.679 3.754 6.231 1.00 0.00 C ATOM 993 O HIS A 65 -0.065 2.950 5.558 1.00 0.00 O ATOM 994 CB HIS A 65 -1.916 2.582 8.043 1.00 0.00 C ATOM 995 CG HIS A 65 -1.766 1.396 7.135 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.801 0.953 6.322 1.00 0.00 N ATOM 997 CD2 HIS A 65 -0.708 0.560 6.886 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.345 -0.107 5.630 1.00 0.00 C ATOM 999 NE2 HIS A 65 -1.077 -0.383 5.938 1.00 0.00 N ATOM 0 H HIS A 65 -2.087 4.958 8.762 1.00 0.00 H new ATOM 0 HA HIS A 65 0.126 3.236 8.161 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.859 2.266 9.085 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.895 3.041 7.902 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.736 1.357 6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.262 0.626 7.355 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.932 -0.664 4.915 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.249 4.793 5.696 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.161 5.019 4.233 1.00 0.00 C ATOM 1010 C PHE A 66 0.052 5.898 3.943 1.00 0.00 C ATOM 1011 O PHE A 66 0.199 6.451 2.872 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.436 5.708 3.749 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.636 4.905 4.193 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.021 4.911 5.540 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.366 4.158 3.262 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.134 4.172 5.954 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.480 3.417 3.677 1.00 0.00 C ATOM 1018 CZ PHE A 66 -5.863 3.425 5.023 1.00 0.00 C ATOM 0 H PHE A 66 -1.774 5.498 6.213 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.054 4.068 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.492 6.720 4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.425 5.797 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.458 5.487 6.259 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.071 4.153 2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.430 4.178 6.992 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.043 2.840 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.722 2.854 5.343 1.00 0.00 H new ATOM 1028 N ARG A 67 0.921 6.025 4.903 1.00 0.00 N ATOM 1029 CA ARG A 67 2.136 6.858 4.723 1.00 0.00 C ATOM 1030 C ARG A 67 2.822 6.499 3.402 1.00 0.00 C ATOM 1031 O ARG A 67 3.340 7.355 2.713 1.00 0.00 O ATOM 1032 CB ARG A 67 3.080 6.578 5.890 1.00 0.00 C ATOM 1033 CG ARG A 67 3.492 5.106 5.864 1.00 0.00 C ATOM 1034 CD ARG A 67 3.533 4.557 7.290 1.00 0.00 C ATOM 1035 NE ARG A 67 4.403 3.349 7.332 1.00 0.00 N ATOM 1036 CZ ARG A 67 4.217 2.443 8.255 1.00 0.00 C ATOM 1037 NH1 ARG A 67 3.277 2.604 9.147 1.00 0.00 N ATOM 1038 NH2 ARG A 67 4.971 1.379 8.287 1.00 0.00 N ATOM 0 H ARG A 67 0.839 5.580 5.817 1.00 0.00 H new ATOM 0 HA ARG A 67 1.869 7.914 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.961 7.216 5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.589 6.814 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.787 4.532 5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.470 5.000 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.914 5.317 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.526 4.305 7.623 1.00 0.00 H new ATOM 0 HE ARG A 67 5.143 3.229 6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.688 3.437 9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.131 1.897 9.868 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.706 1.254 7.591 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.825 0.672 9.008 1.00 0.00 H new ATOM 1052 N SER A 68 2.827 5.245 3.037 1.00 0.00 N ATOM 1053 CA SER A 68 3.479 4.852 1.758 1.00 0.00 C ATOM 1054 C SER A 68 2.943 3.499 1.295 1.00 0.00 C ATOM 1055 O SER A 68 2.483 2.696 2.082 1.00 0.00 O ATOM 1056 CB SER A 68 4.993 4.755 1.958 1.00 0.00 C ATOM 1057 OG SER A 68 5.281 3.684 2.848 1.00 0.00 O ATOM 0 H SER A 68 2.410 4.480 3.567 1.00 0.00 H new ATOM 0 HA SER A 68 3.259 5.606 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.488 4.591 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.379 5.692 2.360 1.00 0.00 H new ATOM 0 HG SER A 68 6.250 3.618 2.977 1.00 0.00 H new ATOM 1063 N ILE A 69 3.020 3.238 0.022 1.00 0.00 N ATOM 1064 CA ILE A 69 2.543 1.941 -0.509 1.00 0.00 C ATOM 1065 C ILE A 69 3.317 0.821 0.181 1.00 0.00 C ATOM 1066 O ILE A 69 2.799 -0.248 0.439 1.00 0.00 O ATOM 1067 CB ILE A 69 2.808 1.898 -2.010 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.237 3.160 -2.658 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.128 0.671 -2.605 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.365 4.156 -2.942 1.00 0.00 C ATOM 0 H ILE A 69 3.398 3.877 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 69 1.476 1.820 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 69 3.881 1.846 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.725 2.903 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.496 3.614 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.315 0.636 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.528 -0.229 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.054 0.727 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.951 5.053 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.858 4.424 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.090 3.702 -3.617 1.00 0.00 H new ATOM 1082 N ARG A 70 4.563 1.066 0.474 1.00 0.00 N ATOM 1083 CA ARG A 70 5.400 0.033 1.143 1.00 0.00 C ATOM 1084 C ARG A 70 4.743 -0.380 2.461 1.00 0.00 C ATOM 1085 O ARG A 70 4.677 -1.546 2.796 1.00 0.00 O ATOM 1086 CB ARG A 70 6.769 0.644 1.444 1.00 0.00 C ATOM 1087 CG ARG A 70 7.411 1.134 0.148 1.00 0.00 C ATOM 1088 CD ARG A 70 8.424 2.234 0.476 1.00 0.00 C ATOM 1089 NE ARG A 70 9.516 1.671 1.319 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.374 2.469 1.893 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.276 3.760 1.728 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.330 1.976 2.632 1.00 0.00 N ATOM 0 H ARG A 70 5.041 1.945 0.277 1.00 0.00 H new ATOM 0 HA ARG A 70 5.502 -0.840 0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.662 1.473 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.411 -0.096 1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.905 0.308 -0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.647 1.516 -0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.837 2.648 -0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.931 3.052 1.001 1.00 0.00 H new ATOM 0 HE ARG A 70 9.593 0.662 1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.529 4.145 1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.947 4.384 2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.406 0.967 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.001 2.600 3.081 1.00 0.00 H new ATOM 1106 N SER A 71 4.257 0.571 3.208 1.00 0.00 N ATOM 1107 CA SER A 71 3.602 0.241 4.504 1.00 0.00 C ATOM 1108 C SER A 71 2.326 -0.562 4.250 1.00 0.00 C ATOM 1109 O SER A 71 2.012 -1.490 4.968 1.00 0.00 O ATOM 1110 CB SER A 71 3.250 1.536 5.237 1.00 0.00 C ATOM 1111 OG SER A 71 2.768 1.223 6.537 1.00 0.00 O ATOM 0 H SER A 71 4.285 1.564 2.977 1.00 0.00 H new ATOM 0 HA SER A 71 4.285 -0.352 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.128 2.178 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.494 2.089 4.680 1.00 0.00 H new ATOM 0 HG SER A 71 2.016 1.811 6.757 1.00 0.00 H new ATOM 1117 N ILE A 72 1.582 -0.205 3.238 1.00 0.00 N ATOM 1118 CA ILE A 72 0.326 -0.935 2.942 1.00 0.00 C ATOM 1119 C ILE A 72 0.630 -2.401 2.636 1.00 0.00 C ATOM 1120 O ILE A 72 -0.017 -3.297 3.141 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.349 -0.286 1.737 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.625 1.188 2.044 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.665 -1.000 1.450 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.242 1.859 0.815 1.00 0.00 C ATOM 0 H ILE A 72 1.795 0.565 2.604 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.335 -0.889 3.807 1.00 0.00 H new ATOM 0 HB ILE A 72 0.303 -0.361 0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.301 1.273 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.301 1.692 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.149 -0.538 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.470 -2.051 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.318 -0.922 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.439 2.909 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.551 1.787 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.177 1.360 0.559 1.00 0.00 H new ATOM 1136 N ASP A 73 1.609 -2.656 1.815 1.00 0.00 N ATOM 1137 CA ASP A 73 1.947 -4.067 1.484 1.00 0.00 C ATOM 1138 C ASP A 73 2.335 -4.808 2.762 1.00 0.00 C ATOM 1139 O ASP A 73 1.943 -5.936 2.986 1.00 0.00 O ATOM 1140 CB ASP A 73 3.129 -4.087 0.514 1.00 0.00 C ATOM 1141 CG ASP A 73 3.230 -5.464 -0.144 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.395 -6.303 0.154 1.00 0.00 O ATOM 1143 OD2 ASP A 73 4.139 -5.656 -0.934 1.00 0.00 O ATOM 0 H ASP A 73 2.188 -1.951 1.360 1.00 0.00 H new ATOM 0 HA ASP A 73 1.085 -4.552 1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.001 -3.318 -0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.053 -3.858 1.046 1.00 0.00 H new ATOM 1148 N ALA A 74 3.112 -4.179 3.600 1.00 0.00 N ATOM 1149 CA ALA A 74 3.539 -4.837 4.864 1.00 0.00 C ATOM 1150 C ALA A 74 2.343 -5.036 5.793 1.00 0.00 C ATOM 1151 O ALA A 74 2.201 -6.061 6.424 1.00 0.00 O ATOM 1152 CB ALA A 74 4.583 -3.959 5.553 1.00 0.00 C ATOM 0 H ALA A 74 3.470 -3.234 3.462 1.00 0.00 H new ATOM 0 HA ALA A 74 3.965 -5.813 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.902 -4.433 6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.443 -3.833 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.149 -2.984 5.775 1.00 0.00 H new ATOM 1158 N PHE A 75 1.486 -4.060 5.893 1.00 0.00 N ATOM 1159 CA PHE A 75 0.309 -4.202 6.793 1.00 0.00 C ATOM 1160 C PHE A 75 -0.565 -5.364 6.317 1.00 0.00 C ATOM 1161 O PHE A 75 -1.004 -6.183 7.099 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.504 -2.909 6.781 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.604 -2.994 7.812 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.348 -2.635 9.140 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -2.880 -3.433 7.440 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.368 -2.714 10.096 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -3.899 -3.513 8.395 1.00 0.00 C ATOM 1168 CZ PHE A 75 -3.643 -3.153 9.723 1.00 0.00 C ATOM 0 H PHE A 75 1.549 -3.173 5.393 1.00 0.00 H new ATOM 0 HA PHE A 75 0.653 -4.402 7.808 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.143 -2.058 6.994 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.931 -2.745 5.792 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.363 -2.297 9.428 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.078 -3.710 6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.171 -2.436 11.121 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.883 -3.853 8.108 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.430 -3.214 10.460 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.826 -5.439 5.041 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.671 -6.541 4.516 1.00 0.00 C ATOM 1180 C VAL A 76 -0.943 -7.879 4.671 1.00 0.00 C ATOM 1181 O VAL A 76 -1.498 -8.843 5.161 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.946 -6.279 3.038 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.676 -7.474 2.440 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.815 -5.028 2.893 1.00 0.00 C ATOM 0 H VAL A 76 -0.488 -4.781 4.339 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.607 -6.584 5.072 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.002 -6.128 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.873 -7.289 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.058 -8.366 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.620 -7.624 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.011 -4.841 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.759 -5.178 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.295 -4.172 3.322 1.00 0.00 H new ATOM 1194 N VAL A 77 0.296 -7.949 4.262 1.00 0.00 N ATOM 1195 CA VAL A 77 1.051 -9.222 4.392 1.00 0.00 C ATOM 1196 C VAL A 77 1.343 -9.496 5.868 1.00 0.00 C ATOM 1197 O VAL A 77 1.217 -10.607 6.345 1.00 0.00 O ATOM 1198 CB VAL A 77 2.365 -9.098 3.624 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.230 -10.320 3.904 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.072 -9.014 2.124 1.00 0.00 C ATOM 0 H VAL A 77 0.815 -7.177 3.844 1.00 0.00 H new ATOM 0 HA VAL A 77 0.462 -10.044 3.986 1.00 0.00 H new ATOM 0 HB VAL A 77 2.891 -8.198 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.169 -10.234 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.437 -10.382 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.704 -11.219 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.009 -8.925 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.548 -9.915 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.450 -8.142 1.923 1.00 0.00 H new ATOM 1210 N GLY A 78 1.744 -8.486 6.587 1.00 0.00 N ATOM 1211 CA GLY A 78 2.063 -8.664 8.032 1.00 0.00 C ATOM 1212 C GLY A 78 0.824 -9.138 8.799 1.00 0.00 C ATOM 1213 O GLY A 78 0.922 -9.875 9.758 1.00 0.00 O ATOM 0 H GLY A 78 1.866 -7.537 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.869 -9.389 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.420 -7.723 8.451 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.337 -8.697 8.400 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.580 -9.098 9.123 1.00 0.00 C ATOM 1219 C ALA A 79 -1.868 -10.591 8.936 1.00 0.00 C ATOM 1220 O ALA A 79 -2.262 -11.272 9.862 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.760 -8.286 8.585 1.00 0.00 C ATOM 0 H ALA A 79 -0.480 -8.076 7.604 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.440 -8.903 10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.670 -8.575 9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.573 -7.224 8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.879 -8.480 7.519 1.00 0.00 H new ATOM 1227 N THR A 80 -1.685 -11.106 7.754 1.00 0.00 N ATOM 1228 CA THR A 80 -1.964 -12.552 7.527 1.00 0.00 C ATOM 1229 C THR A 80 -0.764 -13.381 7.966 1.00 0.00 C ATOM 1230 O THR A 80 -0.901 -14.498 8.424 1.00 0.00 O ATOM 1231 CB THR A 80 -2.236 -12.792 6.040 1.00 0.00 C ATOM 1232 OG1 THR A 80 -1.052 -12.535 5.297 1.00 0.00 O ATOM 1233 CG2 THR A 80 -3.351 -11.860 5.566 1.00 0.00 C ATOM 0 H THR A 80 -1.356 -10.592 6.937 1.00 0.00 H new ATOM 0 HA THR A 80 -2.837 -12.847 8.109 1.00 0.00 H new ATOM 0 HB THR A 80 -2.543 -13.827 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.223 -12.690 4.345 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.543 -12.032 4.507 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.258 -12.058 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.047 -10.824 5.716 1.00 0.00 H new ATOM 1241 N THR A 81 0.413 -12.847 7.819 1.00 0.00 N ATOM 1242 CA THR A 81 1.628 -13.599 8.211 1.00 0.00 C ATOM 1243 C THR A 81 2.552 -12.693 9.028 1.00 0.00 C ATOM 1244 O THR A 81 2.527 -11.490 8.885 1.00 0.00 O ATOM 1245 CB THR A 81 2.347 -14.058 6.947 1.00 0.00 C ATOM 1246 OG1 THR A 81 1.980 -13.213 5.864 1.00 0.00 O ATOM 1247 CG2 THR A 81 1.951 -15.498 6.628 1.00 0.00 C ATOM 0 H THR A 81 0.584 -11.915 7.441 1.00 0.00 H new ATOM 0 HA THR A 81 1.352 -14.463 8.816 1.00 0.00 H new ATOM 0 HB THR A 81 3.425 -14.006 7.101 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.892 -12.291 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.465 -15.825 5.724 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.231 -16.145 7.459 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.874 -15.553 6.472 1.00 0.00 H new